trunk/chuckDissertation/nano.bib

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@misc{qhull,
        Date-Added = {2007-11-29 17:04:19 -0500},
        Date-Modified = {2007-11-29 17:04:19 -0500},
        Note = {software library is available from the National Science and Technology Research Center for Computation and Visualization of Geometric Structures (The Geometry Center), University of Minnesota. {\tt http://www.geom.umn.edu/software/qhull/}},
        Title = {Qhull},
        Year = 1993}

@article{Barber96,
        Author = {C.~B. Barber and D.~P. Dobkin and H.~T. Huhdanpaa},
        Date-Added = {2007-11-29 17:03:42 -0500},
        Date-Modified = {2007-11-29 17:03:42 -0500},
        Journal = {ACM Trans. Math. Software},
        Pages = {469-483},
        Title = {The Quickhull Algorithm for Convex Hulls},
        Volume = 22,
        Year = 1996}

@article{quickhull,
        Author = {C.~B. Barber and D.~P. Dobkin and H.~T. Huhdanpaa},
        Date-Added = {2007-11-29 17:03:42 -0500},
        Date-Modified = {2007-11-29 17:03:42 -0500},
        Journal = {ACM Trans. on Mathematical Software},
        Month = {Dec},
        Title = {The Quickhull algorithm for convex hulls},
        Year = 1996}

@article{Greer:1995qy,
        Abstract = {Amorphous metallic alloys, relative newcomers to the world of glasses, have properties that are unusual for solid metals. The metallic glasses, which exist in a very wide variety of compositions, combine fundamental interest with practical applications. They also serve as precursors for exciting new nanocrystalline materials. Their magnetic (soft and hard) and mechanical properties are of particular interest.},
        Author = {Greer, A. Lindsay},
        Copyright = {Copyright 1995 American Association for the Advancement of Science},
        Date-Added = {2007-10-12 16:17:37 -0400},
        Date-Modified = {2007-10-12 16:20:00 -0400},
        Group = {Frontiers in Materials Science},
        Issn = {0036-8075},
        Journal = {Science},
        Jstor_Articletype = {Full Length Article},
        Jstor_Date = {19950331},
        Jstor_Formatteddate = {Mar. 31, 1995},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/greer_science_met_glass.pdf},
        Month = {mar},
        Number = {5206},
        Pages = {1947--1953},
        Publisher = {American Association for the Advancement of Science},
        Series = {3},
        Title = {Metallic Glasses},
        Url = {http://links.jstor.org/sici?sici=0036-8075%2819950331%293%3A267%3A5206%3C1947%3AMG%3E2.0.CO%3B2-T},
        Volume = {267},
        Year = {1995}}

@misc{Debenedetti:2001lr,
        Abstract = {Glasses are disordered materials that lack the periodicity of crystals but behave mechanically like solids. The most common way of making a glass is by cooling a viscous liquid fast enough to avoid crystallization. Although this route to the vitreous state - supercooling - has been known for millennia, the molecular processes by which liquids acquire amorphous rigidity upon cooling are not fully understood. Here we discuss current theoretical knowledge of the manner in which intermolecular forces give rise to complex behaviour in supercooled liquids and glasses. An intriguing aspect of this behaviour is the apparent connection between dynamics and thermodynamics. The multidimensional potential energy surface as a function of particle coordinates (the energy landscape) offers a convenient viewpoint for the analysis and interpretation of supercooling and glass-formation phenomena. That much of this analysis is at present largely qualitative reflects the fact that precise computations of how viscous liquids sample their landscape have become possible only recently.},
        Author = {Debenedetti, PG and Stillinger, FH},
        Date-Added = {2007-10-12 16:08:35 -0400},
        Date-Modified = {2007-10-12 16:08:56 -0400},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/410259a0.pdf},
        Note = {Nature},
        Pages = {259-267},
        Title = {Supercooled liquids and the glass transition},
        Volume = {410},
        Year = {2001}}

@article{PhysRevE.64.016128,
        Author = {Corti, David S.},
        Date-Added = {2007-10-12 14:01:52 -0400},
        Date-Modified = {2007-10-12 14:02:05 -0400},
        Doi = {10.1103/PhysRevE.64.016128},
        Journal = {Phys. Rev. E},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/e016128.pdf},
        Month = {Jun},
        Number = {1},
        Numpages = {8},
        Pages = {016128},
        Publisher = {American Physical Society},
        Title = {Isothermal-isobaric ensemble for small systems},
        Volume = {64},
        Year = {2001}}

@article{Medasani:2007uq,
        Abstract = {We employ first-principles and empirical computational methods to study the surface energy and surface stress of silver nanoparticles. The structures, cohesive energies, and lattice contractions of spherical Ag nanoclusters in the size range 0.5-5.5 nm are analyzed using two different theoretical approaches: an ab initio density functional pseudopotential technique combined with the generalized gradient approximation and the embedded atom method. The surface energies and stresses obtained via the embedded atom method are found to be in good agreement with those predicted by the gradient-corrected ab initio density functional formalism. We estimate the surface energy of Ag nanoclusters to be in the range of 1.0-2.2 J/m(2). Our values are close to the bulk surface energy of silver, but are significantly lower than the recently reported value of 7.2 J/m(2) for free Ag nanoparticles derived from the Kelvin equation.},
        Author = {Medasani, Bharat and Park, Young Ho and Vasiliev, Igor},
        Date-Added = {2007-10-11 14:39:46 -0400},
        Date-Modified = {2007-10-11 14:40:50 -0400},
        Doi = {ARTN 235436},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/PhysRevB_75_235436.pdf},
        Title = {Theoretical study of the surface energy, stress, and lattice contraction of silver nanoparticles},
        Volume = {75},
        Year = {2007}}

@article{Wang:2005qy,
        Abstract = {The surface structures of cubo-octahedral Pt-Mo nanoparticles have been investigated using the Monte Carlo method and modified embedded atom method potentials that we developed for Pt-Mo alloys. The cubo-octahedral Pt-Mo nanoparticles are constructed with disordered fcc configurations, with sizes from 2.5 to 5.0 nm, and with Pt concentrations from 60 to 90 atom \%. The equilibrium Pt-Mo nanoparticle configurations were generated through Monte Carlo simulations allowing both atomic displacements and element exchanges at 600 K. We predict that the Pt atoms weakly segregate to the surfaces of such nanoparticles. The Pt concentrations in the surface are calculated to be 5-14 atom \% higher than the Pt concentrations of the nanoparticles. Moreover, the Pt atoms preferentially segregate to the facet sites of the surface, while the Pt and Mo atoms tend to alternate along the edges and vertexes of these nanoparticles. We found that decreasing the size or increasing the Pt concentration leads to higher Pt concentrations but fewer Pt-Mo pairs in the Pt-Mo nanoparticle surfaces.},
        Author = {Wang, GF and Van Hove, MA and Ross, PN and Baskes, MI},
        Date-Added = {2007-10-11 14:37:12 -0400},
        Date-Modified = {2007-10-11 14:37:14 -0400},
        Doi = {DOI 10.1021/jp050116n},
        Journal = {J. Phys. Chem. B},
        Pages = {11683-11692},
        Title = {Surface structures of cubo-octahedral Pt-Mo catalyst nanoparticles from Monte Carlo simulations},
        Volume = {109},
        Year = {2005}}

@article{Chui:2003fk,
        Abstract = {Molecular dynamics simulations of a platinum nanocluster consisting 250 atoms were performed at different temperatures between 70 K and 298 K. The semi-empirical, many-body Sutton-Chen (SC) potential was used to model the interatomic interaction in the metallic system. Regions of core or bulk-like atoms and surface atoms can be defined from analyses of structures, atomic coordination, and the local density function of atoms as defined in the SC potential. The core atoms in the nanoparticle behave as bulk-like metal atoms with a predominant face centered cubic (fcc) packing. The interface between surface atoms and core atoms is marked by a peak in the local density function and corresponds to near surface atoms. The near surface atoms and surface atoms prefer a hexagonal closed packing (hcp). The temperature and size effects on structures of the nanoparticle and the dynamics of the surface region and the core region are discussed.},
        Author = {Chui, YH and Chan, KY},
        Date-Added = {2007-10-11 14:34:06 -0400},
        Date-Modified = {2007-10-11 14:34:09 -0400},
        Doi = {DOI 10.1039/b302122j},
        Journal = {Phys. Chem. Chem. Phys.},
        Pages = {2869-2874},
        Title = {Analyses of surface and core atoms in a platinum nanoparticle},
        Volume = {5},
        Year = {2003}}

@article{Sankaranarayanan:2005lr,
        Abstract = {Bimetallic nanoclusters are of interest because of their utility in catalysis and sensors, The thermal characteristics of bimetallic Pt-Pd nanoclusters of different sizes and compositions were investigated through molecular dynamics simulations using quantum Sutton-Chen (QSC) many-body potentials, Monte Carlo simulations employing the bond order simulation model were used to generate minimum energy configurations, which were utilized as the starting point for molecular dynamics simulations. The calculated initial configurations of the Pt-Pd system consisted of surface segregated Pd atoms and a Pt-rich core, Melting characteristics were studied by following the changes in potential energy and heat capacity as functions of temperature, Structural changes accompanying the thermal evolution were studied by the bond order parameter method. The Pt-Pd clusters exhibited a two-stage melting: surface melting of the external Pd atoms followed by homogeneous melting of the Pt core. These transitions were found to depend on the composition and size of the nanocluster. Melting temperatures of the nanoclusters were found to be much lower than those of bulk Pt and Pd. Bulk melting temperatures of Pd and Pt simulated using periodic boundary conditions compare well with experimental values, thus providing justification for the use of QSC potentials in these simulations. Deformation parameters were calculated to characterize the structural evolution resulting from diffusion of Pd and Pt atoms, The results indicate that in Pd-Pt clusters, Pd atoms prefer to remain at the surface even after melting. In addition, Pt also tends to diffuse to the surface after melting due to reduction of its surface energy with temperature. This mixing pattern is different from those reported in some of the earlier Studies on melting of bimetallics.},
        Author = {Sankaranarayanan, SKRS and Bhethanabotla, VR and Joseph, B},
        Date-Added = {2007-10-11 14:32:02 -0400},
        Date-Modified = {2007-10-11 14:32:04 -0400},
        Doi = {ARTN 195415},
        Journal = {Phys. Rev. B},
        Title = {Molecular dynamics simulation study of the melting of Pd-Pt nanoclusters},
        Volume = {71},
        Year = {2005}}

@article{Hu:2004lr,
        Author = {Hu, M. and Petrova, H. and Hartland, G. V.},
        Date = {JUN 21},
        Date-Added = {2007-10-11 13:34:04 -0400},
        Date-Modified = {2007-10-11 13:34:04 -0400},
        Isi = {ISI:000222228000005},
        Issn = {0009-2614},
        Journal = {Chem. Phys. Let.},
        Month = {Jun},
        Number = {4-6},
        Pages = {220--225},
        Publication-Type = {J},
        Title = {Investigation of the properties of gold nanoparticles in aqueous solution at extremely high lattice temperatures},
        Volume = {391},
        Year = {2004}}

@article{Mafune01,
        Author = {Mafune, F. and Kohno, J. and Takeda, Y. and Kondow, T.},
        Date = {SEP 27},
        Date-Added = {2007-10-11 13:29:38 -0400},
        Date-Modified = {2007-10-11 13:29:38 -0400},
        Isi = {ISI:000171214200005},
        Issn = {1089-5647},
        Journal = {J. Phys. Chem. B},
        Month = {Sep},
        Number = {38},
        Pages = {9050--9056},
        Publication-Type = {J},
        Title = {Dissociation and aggregation of gold nanoparticles under laser irradiation},
        Volume = {105},
        Year = {2001}}

@article{JACKSON:1991lr,
        Abstract = {The glass-transition temperatures, T(g), of organic liquids confined to small pores were studied by differential scanning calorimetry (DSC).  The T(g) was measured as a function of pore size in controlled pore glasses (CPG) having pore diameters in the range of 40-730 angstrom.  The surface of the glass was treated with hexamethyldisilazane to promote wetting by the organic liquids studied (o-terphenyl and benzyl alcohol).  Glasses formed in the pores had a lower T(g) than in the bulk and the reduction in T(g) increased as the pore size decreased.  For example, the depression of the glass transition temperature, DELTA-T(g), of benzyl alcohol in 40 angstrom and 85 angstrom pores was 7.2 K and 3.1 K, respectively.  The magnitude of DELTA-T(g) also depends on the material; e.g. for o-terphenyl in the 85 angstrom pores, DELTA-T(g) was 8.8 K versus 3.1 K for benzyl alcohol.  In general, it was noted that DELTA-T(g) was considerably less than for the depression of the crystalline melting point, DELTA-T(m), studied in related work.  For example, for benzyl alcohol in the 85 angstrom pores, DELTA-T(m) was approximately 25 K and DELTA-T(g) was approximately 3 K.},
        Author = {JACKSON, CL and MCKENNA, GB},
        Date-Added = {2007-10-10 15:15:02 -0400},
        Date-Modified = {2007-10-10 15:15:05 -0400},
        Journal = {J. Non-Cryst. Solids},
        Pages = {221-224},
        Title = {THE GLASS-TRANSITION OF ORGANIC LIQUIDS CONFINED TO SMALL PORES},
        Volume = {131},
        Year = {1991}}

@book{Massalski:1986rt,
        Address = {Metals Park, Ohio},
        Annote = {LDR    01406cam  2200349 a 4500
001    3824145
005    20041216124017.0
008    860703s1986    ohua     b    001 0 eng  
035    $9(DLC)   86017350
906    $a7$bcbc$corignew$d1$eocip$f19$gy-gencatlg
010    $a   86017350 
020    $a0871702614 (set) :$c$499.50
020    $a0871702622 (v. 1)
020    $a0871702630 (v. 2)
040    $aDLC$cDLC$dDLC
050 00 $aTN690$b.B528 1986
082 00 $a669/.94$219
245 00 $aBinary alloy phase diagrams /$ceditor-in-chief, Thaddeus B. Massalski ; editors, Joanne L. Murray, Lawrence H. Bennett, Hugh Baker.
260    $aMetals Park, Ohio :$bAmerican Society for Metals,$cc1986.
300    $a2 v. (xiii, 2224 p.) :$bill. ;$c29 cm.
500    $a"Alloy phase diagram master grid" in pocket.
504    $aBibliography: v. 1, p. xiii.
500    $aIncludes indexes.
650  0 $aAlloys.
650  0 $aPhase diagrams.
650  0 $aBinary systems (Metallurgy)
700 1  $aMassalski, T. B.
700 1  $aMurray, Joanne L.
700 1  $aBennett, L. H.$q(Lawrence Herman),$d1930-
700 1  $aBaker, Hugh.
952    $aLC's copy ("First printing, October 1986") has "American Society for Metals" on t.p., t.p. verso, and throughout text; "Metals Park, Ohio 44073" appears on t.p. ta01 12-16-2004
991    $bc-GenColl$hTN690$i.B528 1986$p00029709671$tCopy 1$v2: Fe-Ru - Zn-Zr$wBOOKS
},
        Author = {Massalski, T. B and Murray, Joanne L and Bennett, L. H and Baker, Hugh},
        Call-Number = {TN690},
        Date-Added = {2007-10-09 19:12:42 -0400},
        Date-Modified = {2007-10-09 19:13:18 -0400},
        Dewey-Call-Number = {669/.94},
        Genre = {Alloys},
        Isbn = {0871702614 (set)},
        Library-Id = {86017350},
        Publisher = {American Society for Metals},
        Title = {Binary alloy phase diagrams},
        Year = {1986}}

@article{Ojovan:2006vn,
        Abstract = {The thermodynamic approach to the viscosity and fragility of amorphous oxides was used to determine the topological characteristics of the disordered network-forming systems. Instead of the disordered system of atoms we considered the congruent disordered system of interconnecting bonds. The Gibbs free energy of network-breaking defects (configurons) was found based on available viscosity data. Amorphous silica and germania were used as reference disordered systems for which we found an excellent agreement of calculated and measured glass transition temperatures. We reveal that the Hausdorff dimension of the system of bonds changes from Euclidian three-dimensional below to fractal 2.55 +/- 0.05-dimensional geometry above the glass transition temperature.},
        Author = {Ojovan, Michael I. and Lee, William E.},
        Date-Added = {2007-10-09 18:40:55 -0400},
        Date-Modified = {2007-10-09 18:44:16 -0400},
        Doi = {DOI 10.1088/0953-8984/18/50/007},
        Journal = {J. Phys.: Condens. Matter},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/cm6_50_007.pdf},
        Pages = {11507-11520},
        Title = {Topologically disordered systems at the glass transition},
        Volume = {18},
        Year = {2006}}

@article{Jiang:1999yq,
        Abstract = {A simple and unified model, free of any adjustable parameters, is developed for the finite size effect on glass transition temperatures of polymers and organic particles. As the thickness of polymer thin films and the radius of organic particles decrease, their glass transition temperatures decrease. For polymers, this decrease is independent of their molecular weight, but dependent on the correlation length for intermolecular cooperative rearrangement and the presence of substrates. The model predictions are consistent with available experimental results on size dependence of the glass transition temperatures for free-standing polystyrene thin films, polystyrene films supported on passivated substrates and o-terphenyl and benzyl alcohol nanoparticles. (C) 1999 Elsevier Science S.A. All rights reserved.},
        Author = {Jiang, Q and Shi, HX and Li, JC},
        Date-Added = {2007-10-09 18:33:30 -0400},
        Date-Modified = {2007-10-09 18:33:32 -0400},
        Journal = {Thin Solid Films},
        Keywords = {glass; polymers; surface and interface states; surface thermodynamics},
        Pages = {283-286},
        Title = {Finite size effect on glass transition temperatures},
        Volume = {354},
        Year = {1999}}

@article{Alcoutlabi:2005kx,
        Abstract = {In this article, the effects of size and confinement at the nanometre size scale on both the melting temperature, T-m, and the glass transition temperature, T-g, are reviewed. Although there is an accepted thermodynamic model (the Gibbs-Thomson equation) for explaining the shift in the first-order transition, T-m, for confined materials, the depression of the melting point is still not fully understood and clearly requires further investigation. However, the main thrust of the work is a review of the field of confinement and size effects on the glass transition temperature. We present in detail the dynamic, thermodynamic and pseudo-thermodynamic measurements reported for the glass transition in confined geometries for both small molecules confined in nanopores and for ultrathin polymer films. We survey the observations that show that the glass transition temperature decreases, increases, remains the same or even disappears depending upon details of the experimental (or molecular simulation) conditions. Indeed, different behaviours have been observed for the same material depending on the experimental methods used. It seems that the existing theories of T-g are unable to explain the range of behaviours seen at the nanometre size scale, in part because the glass transition phenomenon itself is not fully understood. Importantly, here we conclude that the vast majority of the experiments have been carried out carefully and the results are reproducible. What is currently lacking appears to be an overall view, which accounts for the range of observations. The field seems to be experimentally and empirically driven rather than responding to major theoretical developments.},
        Author = {Alcoutlabi, M and McKenna, GB},
        Date-Added = {2007-10-09 18:31:39 -0400},
        Date-Modified = {2007-10-09 18:49:43 -0400},
        Journal = {J. Phys.: Condens. Matter},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/cm5_15_R01.pdf},
        Pages = {R461-R524},
        Title = {Effects of confinement on material behaviour at the nanometre size scale},
        Volume = {17},
        Year = {2005}}

@article{HUNT:1994fj,
        Abstract = {An expression for the activation energy of the viscosity in the percolative transport regime demonstrates its proportionality to the peak in a distribution of barrier heights as well as to the width of the distribution. Such an expression implies that a ''blocking'' (slower than average) rate is responsible for the macroscopic relaxation time. This concept has recently been shown to account for a large number off phenomena related to the glass transition. Here it is shown that the average of a glass transition temperature over a large number of very small systems must correspond to an average barrier height; consequently the average glass temperature is reduced by confinement in pores because the average barrier height is smaller than the ''blocking'' barrier.},
        Author = {Hunt, A},
        Date-Added = {2007-10-09 18:30:13 -0400},
        Date-Modified = {2007-10-09 18:30:27 -0400},
        Journal = {Solid State Commun.},
        Pages = {527-532},
        Title = {FINITE-SIZE EFFECTS ON THE GLASS-TRANSITION TEMPERATURE},
        Volume = {90},
        Year = {1994}}

@misc{HUNT:1992uq,
        Abstract = {The relationship of the glass transition temperature T(g) to transport properties has been established. Simple arguments relating transport to distributions of barrier heights, barrier heights to random potential reliefs, and typical potential fluctuations to crystalline potentials allows the establishment of a relationship between T(g) and the melting temperature, T(m), by application of the Lindemann criterion for melting.},
        Author = {Hunt, A},
        Date-Added = {2007-10-09 18:19:48 -0400},
        Date-Modified = {2007-10-09 18:20:00 -0400},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/cm923201.pdf},
        Note = {J. Phys.: Condens. Matter},
        Pages = {L429-L431},
        Title = {A SIMPLE CONNECTION BETWEEN THE MELTING TEMPERATURE AND THE GLASS TEMPERATURE IN A KINETIC-THEORY OF THE GLASS-TRANSITION},
        Volume = {4},
        Year = {1992}}

@article{Wang:2003fk,
        Abstract = {The Debye temperature and glass transition temperature of a variety of bulk metallic glasses (BMGs) were determined by acoustic measurement and differential scanning calorimetry, respectively. The relationship between the Debye temperature and glass transition temperature of these BMGs was analyzed, and their observed correlation was interpreted in terms of the characteristics of the glass transition in BMGs.},
        Author = {Wang, WH and Wen, P and Zhao, DQ and Pan, MX and Wang, RJ},
        Date-Added = {2007-10-09 18:12:41 -0400},
        Date-Modified = {2007-10-09 18:15:53 -0400},
        Journal = {J. Mater. Res. },
        Local-Url = {file://localhost/Users/charles/Documents/Papers/494770.pdf},
        Pages = {2747-2751},
        Title = {Relationship between glass transition temperature and Debye temperature in bulk metallic glasses},
        Volume = {18},
        Year = {2003}}

@book{Mazurin:1993lr,
        Address = {Amsterdam},
        Annote = {LDR    01412cam  2200253 a 4500
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005    19931007093932.9
008    830610m19831993ne a     b    001 0 eng  
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020    $a0444416897 (U.S. : set) :$cfl 350.00
040    $aDLC$cDLC$dDLC$dOCoLC$dDLC
050 00 $aTP848$b.H36 1983
082 00 $a620.1/44/0212$219
245 00 $aHandbook of glass data.
260    $aAmsterdam ;$aNew York :$bElsevier ;$aNew York, N.Y. :$bDistributors for the U.S. and Canada, Elsevier Science Pub. Co.,$c1983-1993.
300    $a5 v. :$bill. ;$c26 cm.
440  0 $aPhysical sciences data ;$v15
504    $aIncludes bibliographies and indexes.
505 1  $apt. A. Silica glass and binary silicate glasses / O.V. Mazurin, M.V. Streltsina, and T.P. Shvaiko-Shvaikovskaya -- pt. B. Single-component and binary non-silicate oxide glasses / O.V. Mazurin, M.V. Streltsina, and T.P. Shvaiko-Shvaikovskaya -- pt. C. Ternary silicate glasses / O.V. Mazurin, M.V. Streltsina, and T.P. Shvaiko-Shvaikovskaya -- pt. D. Ternary non-silicate glasses / O.V. Mazurin ... [et al.] -- pt. E. Single-component, binary, and ternary oxide glasses / O.V. Mazurin, M.V. Streltsina, and T.P. Shvaiko-Shvaikovskaysa.
650  0 $aGlass.
700 1  $aMazurin, Oleg Vsevolodovich.
991    $bc-GenColl$hTP848$i.H36 1983$tCopy 1$wBOOKS
},
        Author = {Mazurin, Oleg Vsevolodovich},
        Call-Number = {TP848},
        Date-Added = {2007-10-09 18:02:00 -0400},
        Date-Modified = {2007-10-09 18:02:10 -0400},
        Dewey-Call-Number = {620.1/44/0212},
        Genre = {Glass},
        Isbn = {0444416897 (U.S. : set)},
        Library-Id = {83011642},
        Publisher = {Elsevier},
        Title = {Handbook of glass data},
        Volume = {15},
        Year = {1993}}

@article{Plech:2003yq,
        Abstract = {The lattice expansion and relaxation of noble-metal nanoparticles heated by intense femtosecond laser pulses are measured by pump-probe time-resolved X-ray scattering. Following the laser pulse, shape and angular shift of the (111) Bragg reflection from crystalline silver and gold particles with diameters from 20 to 100 nm are resolved stroboscopically using 100 ps X-ray pulses from a synchrotron. We observe a transient lattice expansion that corresponds to a laser-induced temperature rise of up to 200 K, and a subsequent lattice relaxation. The relaxation occurs within several hundred picoseconds for embedded silver particles, and several nanoseconds for supported free gold particles. The relaxation time shows a strong dependence on particle size. The relaxation rate appears to be limited by the thermal coupling of the particles to the matrix and substrate, respectively, rather than by bulk thermal diffusion. Furthermore, X-ray diffraction can resolve the internal strain state of the nanoparticles to separate non-thermal from thermal motion of the lattice.},
        Author = {Plech, A and Kurbitz, S and Berg, KJ and Graener, H and Berg, G and Gresillon, S and Kaempfe, M and Feldmann, J and Wulff, M and von Plessen, G},
        Date-Added = {2007-10-09 17:37:01 -0400},
        Date-Modified = {2007-10-09 17:37:01 -0400},
        Journal = {Europhys. Lett.},
        Pages = {762-768},
        Title = {Time-resolved X-ray diffraction on laser-excited metal nanoparticles},
        Volume = {61},
        Year = {2003}}

@article{Plech:2004vn,
        Abstract = {Gold nanoparticles have been adsorbed as monolayers on silicon and glass substrates and the structure evolution following femtosecond laser excitation has been analyzed by means of time resolved X-ray scattering. The synchronization of the laser to the X-ray pulse structure emitted from a third generation synchrotron source allows to obtain a natural time resolution of 100 ps for the lattice kinetics. The prospects of using a picosecond X-ray streak camera are explored. The lattice kinetics are dominated by the fast heating of the particle lattice and nanosecond cooling times. However, the analysis of peak shapes reveals the presence of nonthermal motion within the lattice. Unexpectedly large relaxation times for the thermalization of vibrational modes are found and are attributed to the weak mechanical coupling to the substrate. Strong nonuniform strain develops within the domain of electron-phonon interaction time regime after the laser excitation as seen with the X-ray streak camera. (C) 2003 Elsevier B.V. All rights reserved.},
        Author = {Plech, A and Gresillon, S and von Plessen, G and Scheidt, K and Naylor, G},
        Date-Added = {2007-10-09 17:37:01 -0400},
        Date-Modified = {2007-10-09 17:37:01 -0400},
        Doi = {DOI 10.1016/j.chemphys.2003.10.041},
        Journal = {Chem. Phys.},
        Keywords = {nanoparticles; picosecond time resolution; structure; femtosecond laser excitation; thermal kinetics},
        Pages = {183-191},
        Title = {Structural kinetics of laser-excited metal nanoparticles supported on a surface},
        Volume = {299},
        Year = {2004}}

@article{Plech:2007rt,
        Abstract = {A thermal phase transition has been resolved in gold nanoparticles supported on a surface. By use of asynchronous optical sampling with coupled femtosecond oscillators, the Lamb vibrational modes could be resolved as a function of annealing temperature. At a temperature of 104 degrees C the damping rate and phase changes abruptly, indicating a structural transition in the particle, which is explained as the onset of surface melting.},
        Author = {Plech, Anton and Cerna, Roland and Kotaidis, Vassilios and Hudert, Florian and Bartels, Albrecht and Dekorsy, Thomas},
        Date-Added = {2007-10-09 17:37:01 -0400},
        Date-Modified = {2007-10-09 17:40:03 -0400},
        Doi = {DOI 10.1021/nl070187t},
        Journal = {Nano Lett.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/nl070187t.pdf},
        Pages = {1026-1031},
        Title = {A surface phase transition of supported gold nanoparticles},
        Volume = {7},
        Year = {2007}}

@article{Plech:2005kx,
        Abstract = {The transient structural response of laser excited gold nanoparticle sols has been recorded by pulsed X-ray scattering. Time resolved wide angle and small angle scattering (SAXS) record the changes in structure both of the nanoparticles and the water environment subsequent to femtosecond laser excitation. Within the first nanosecond after the excitation of the nanoparticles, the water phase shows a signature of compression, induced by a heat-induced evaporation of the water shell close to the heated nanoparticles. The particles themselves undergo a melting transition and are fragmented to Form new clusters in the nanometer range. (C) 2004 Elsevier B.V. All rights reserved.},
        Author = {Plech, A and Kotaidis, V and Lorenc, M and Wulff, M},
        Date-Added = {2007-10-09 17:32:46 -0400},
        Date-Modified = {2007-10-09 17:34:08 -0400},
        Doi = {DOI 10.1016/j.cplett.2004.11.072},
        Journal = {Chem. Phys. Let.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/sdarticle3.pdf},
        Pages = {565-569},
        Title = {Thermal dynamics in laser excited metal nanoparticles},
        Volume = {401},
        Year = {2005}}

@misc{Hartland:2006fj,
        Abstract = {Excitation of metal nanoparticles with subpicosecond laser pulses causes a rapid increase in the lattice temperature. which can impulsively excite the phonon modes of the particle that correlate with the expansion coordinates. The vibrational periods depend on the size. shape, and elastic constants of the particles. Thus, time-resolved spectroscopy can be used to examine the material properties of nanometer-sized objects. This review provides a brief overview of the steady-state and time-resolved electronic spectroscopy of metal particles, which is important for understanding why vibrational motion appears in transient absorption traces. I also describe how the vibrational modes observed in the experiments are assigned. and what information can be obtained from the measurements. Our work has been mainly concerned with noble metal particles (gold and silver) in aqueous solution. The different shapes that have been examined to date include spheres, rods, and triangles, all with different sizes.},
        Author = {Hartland, GV},
        Date-Added = {2007-10-09 17:21:42 -0400},
        Date-Modified = {2007-10-09 17:24:13 -0400},
        Doi = {DOI 10.1146/annurev.physchem.57.032905.104533},
        Keywords = {metals; nanorods; phonon modes; time-resolved spectroscopy; elastic moduli; laser-induced heating},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/annurev.physchem.57.032905.104533.pdf},
        Note = {Annual Review of Physical Chemistry},
        Pages = {403-430},
        Title = {Coherent excitation of vibrational modes in metallic nanoparticles},
        Volume = {57},
        Year = {2006}}

@article{Wilson:2002uq,
        Abstract = {We investigate suspensions of 3-10 nm diameter Au, Pt, and AuPd nanoparticles as probes of thermal transport in fluids and determine approximate values for the thermal conductance G of the particle/fluid interfaces. Subpicosecond lambda=770 nm optical pulses from a Ti:sapphire mode-locked laser are used to heat the particles and interrogate the decay of their temperature through time-resolved changes in optical absorption. The thermal decay of alkanethiol-terminated Au nanoparticles in toluene is partially obscured by other effects; we set a lower limit G>20 MW m(-2)K(-1). The thermal decay of citrate-stabilized Pt nanoparticles in water gives Gapproximate to130 MW m(-2) K-1. AuPd alloy nanoparticles in toluene and stabilized by alkanethiol termination give Gapproximate to5 MW m(-2) K-1. The measured G are within a factor of 2 of theoretical estimates based on the diffuse-mismatch model.},
        Author = {Wilson, OM and Hu, XY and Cahill, DG and Braun, PV},
        Date-Added = {2007-10-09 17:17:36 -0400},
        Date-Modified = {2007-10-09 17:18:45 -0400},
        Doi = {ARTN 224301},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/e2243010.pdf},
        Title = {Colloidal metal particles as probes of nanoscale thermal transport in fluids},
        Volume = {66},
        Year = {2002}}

@article{Dick:2002qy,
        Abstract = {We report on the size dependence of the melting temperature of silica-encapsulated gold nanoparticles. The melting point was determined using differential thermal analysis (DTA) coupled to thermal gravimetric analysis (TGA) techniques. The small gold particles, with sizes ranging from 1.5 to 20 nm, were synthesized using radiolytic and chemical reduction procedures and then coated with porous silica shells to isolate the particles from one another. The resulting silica-encapsulated gold particles show clear melting endotherms in the DTA scan with no accompanying weight loss of the material in the TGA examination. The silica shell acts as a nanocrucible for the melting gold with little effect on the melting temperature itself, even though the analytical procedure destroys the particles once they melt. Phenomenological thermodynamic predictions of the size dependence of the melting point of gold agree with the experimental observation. Implications of these observations to the self-diffusion coefficient of gold in the nanoparticles are discussed, especially as they relate to the spontaneous alloying of core-shell bimetallic particles.},
        Author = {Dick, K and Dhanasekaran, T and Zhang, ZY and Meisel, D},
        Date-Added = {2007-10-09 16:44:50 -0400},
        Date-Modified = {2007-10-09 16:47:53 -0400},
        Doi = {DOI 10.1021/ja017281a},
        Journal = {J. Amer. Chem. Soc.},
        Pages = {2312-2317},
        Title = {Size-dependent melting of silica-encapsulated gold nanoparticles},
        Volume = {124},
        Year = {2002}}

@misc{West:2003fk,
        Abstract = {Advances in chemistry and physics are providing an expanding array of nanostructured materials with unique and powerful optical properties. These nanomaterials provide a new set of tools that are available to biomedical engineers, biologists, and medical scientists who seek new tools as biosensors and probes of biological fluids, cells, and tissue chemistry and function. Nanomaterials are also being used to develop optically controlled devices for applications such as modulated drug delivery as well as optical therapeutics. This review discusses applications that have been successfully demonstrated using nanomaterials including semiconductor nanocrystals, gold nanoparticles, gold nanoshells, and silver plasmon resonant particles.},
        Author = {West, JL and Halas, NJ},
        Date-Added = {2007-10-09 16:38:17 -0400},
        Date-Modified = {2007-10-09 16:39:04 -0400},
        Doi = {DOI 10.1146/annurev.bioeng.5.011303.120723},
        Keywords = {nanotechnology; nanoparticle; optics; biosensor; quantum dot; gold colloid; plasmon resonant particle; nanoshell},
        Note = {Annu. Rev. Biomed. Eng.},
        Pages = {285-292},
        Title = {Engineered nanomaterials for biophotonics applications: Improving sensing, imaging, and therapeutics},
        Volume = {5},
        Year = {2003}}

@misc{Hu:2006lr,
        Abstract = {The surface plasmon resonance peaks of gold nanostructures can be tuned from the visible to the near infrared region by controlling the shape and structure ( solid vs. hollow). In this tutorial review we highlight this concept by comparing four typical examples: nanospheres, nanorods, nanoshells, and nanocages. A combination of this optical tunability with the inertness of gold makes gold nanostructures well suited for various biomedical applications.},
        Author = {Hu, Min and Chen, Jingyi and Li, Zhi-Yuan and Au, Leslie and Hartland, Gregory V. and Li, Xingde and Marquez, Manuel and Xia, Younan},
        Date-Added = {2007-10-09 15:39:55 -0400},
        Date-Modified = {2007-10-09 15:43:59 -0400},
        Doi = {DOI 10.1039/b517615h},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/b517615h.pdf},
        Note = {Chem. Soc. Rev.},
        Pages = {1084-1094},
        Title = {Gold nanostructures: engineering their plasmonic properties for biomedical applications},
        Volume = {35},
        Year = {2006}}

@article{Zhu:1997lr,
        Abstract = {Experimental bulk mixing data on disordered bimetallics of Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au are used to parametrize the recently developed {$\backslash$}underline{\{}b{\}}ond {$\backslash$}underline{\{}o{\}}rder metal {$\backslash$}underline{\{}s{\}}imulator (BOS-mixing) model, including a full error analysis. This model characterizes the variation of metal-metal bond strength with number and type of atomic neighbors. The model is shown to accurately fit experimental mixing energy curves as a function of composition irrespective of whether the curves are symmetric or asymmetric around the 50{\%} value. As an illustration of the utility of the BOS-mixing model, we predict the microstructures of bimetallic clusters with 201 atoms (or 61{\%} dispersion) and a composition of 50{\%}-50{\%}. The examples demonstrate how differences in surface energy, mixing energy, and mixing entropy either compete or cooperate in determining the microstructure of small bimetallic clusters.},
        Author = {Zhu, Ling and DePristo, Andrew E.},
        Date-Added = {2007-10-03 14:57:41 -0400},
        Date-Modified = {2007-10-03 14:58:17 -0400},
        Journal = {J. Catal.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/sdarticle2.pdf},
        Number = {2},
        Pages = {400--407},
        Title = {Microstructures of Bimetallic Clusters: Bond Order Metal Simulator for Disordered Alloys},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6WHJ-45KMYC8-80/2/0c7f43e48e4dfa1206cb717c85db1972},
        Volume = {167},
        Year = {1997}}

@article{MainardiD.S._la0014306,
        Affiliation = {Department of Chemical Engineering, University of South Carolina, Columbia, South Carolina 29208},
        Author = {Mainardi, D.S. and Balbuena, P.B.},
        Date-Added = {2007-10-03 14:53:26 -0400},
        Date-Modified = {2007-10-03 15:01:14 -0400},
        Issn = {0743-7463},
        Journal = {Langmuir},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/la0014306.pdf},
        Number = {6},
        Pages = {2047-2050},
        Title = {Monte Carlo Simulation of Cu-Ni Nanoclusters: Surface Segregation Studies},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/la0014306},
        Volume = {17},
        Year = {2001}}

@article{nose:1803,
        Author = {Shuichi Nose and Fumiko Yonezawa},
        Date-Added = {2007-09-21 13:00:58 -0400},
        Date-Modified = {2007-09-21 13:01:18 -0400},
        Doi = {10.1063/1.450427},
        Journal = {J. Chem. Phys.},
        Keywords = {LENNARDJONES POTENTIAL; COMPUTERIZED SIMULATION; MELTING; CRYSTALLIZATION; MOLECULAR DYNAMICS CALCULATION; LIQUID STRUCTURE; NUCLEATION; MATHEMATICAL MODELS},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_84_1803.pdf},
        Number = {3},
        Pages = {1803-1814},
        Publisher = {AIP},
        Title = {Isothermal--isobaric computer simulations of melting and crystallization of a Lennard-Jones system},
        Url = {http://link.aip.org/link/?JCP/84/1803/1},
        Volume = {84},
        Year = {1986}}

@article{hsu:4974,
        Author = {C. S. Hsu and Aneesur Rahman},
        Date-Added = {2007-09-21 12:52:21 -0400},
        Date-Modified = {2007-09-21 12:52:40 -0400},
        Doi = {10.1063/1.438311},
        Journal = {J. Chem. Phys.},
        Keywords = {NUCLEATION; SYMMETRY; INTERATOMIC FORCES; RUBIDIUM; LENNARD=(HYPHEN)=JONES POTENTIAL; CORRELATIONS; CRYSTALS},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_71_4974.pdf},
        Number = {12},
        Pages = {4974-4986},
        Publisher = {AIP},
        Title = {Interaction potentials and their effect on crystal nucleation and symmetry},
        Url = {http://link.aip.org/link/?JCP/71/4974/1},
        Volume = {71},
        Year = {1979}}

@article{PhysRevLett.53.1951,
        Author = {Shechtman, D. and Blech, I. and Gratias, D. and Cahn, J. W.},
        Date-Added = {2007-09-20 17:44:19 -0400},
        Date-Modified = {2007-09-20 17:44:57 -0400},
        Doi = {10.1103/PhysRevLett.53.1951},
        Journal = {Phys. Rev. Lett.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/p1951_1.pdf},
        Month = {Nov},
        Number = {20},
        Numpages = {2},
        Pages = {1951--1953},
        Publisher = {American Physical Society},
        Title = {Metallic Phase with Long-Range Orientational Order and No Translational Symmetry},
        Volume = {53},
        Year = {1984}}

@article{PhysRevLett.56.1168,
        Author = {Stephens, Peter W. and Goldman, Alan I.},
        Date-Added = {2007-09-20 17:35:02 -0400},
        Date-Modified = {2007-09-20 17:35:08 -0400},
        Doi = {10.1103/PhysRevLett.56.1168},
        Journal = {Phys. Rev. Lett.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/p1168_1.pdf},
        Month = {Mar},
        Number = {11},
        Numpages = {3},
        Pages = {1168--1171},
        Publisher = {American Physical Society},
        Title = {Sharp Diffraction Maxima from an Icosahedral Glass},
        Volume = {56},
        Year = {1986}}

@article{HOARE:1976fk,
        Author = {Hoare, M},
        Date-Added = {2007-09-20 16:52:33 -0400},
        Date-Modified = {2007-09-20 16:52:37 -0400},
        Journal = {Ann. N.Y. Acad. Sci.},
        Pages = {186-207},
        Title = {STABILITY AND LOCAL ORDER IN SIMPLE AMORPHOUS PACKINGS},
        Volume = {279},
        Year = {1976}}

@article{19871127,
        Abstract = {Numerous examples of metallic alloys have been discovered, the atomic structures of which display an icosahedral symmetry that is impossible for ordinary periodic crystals. Recent experimental results support the hypothesis that the alloys are examples of a new ``quasicrystal'' phase of solid matter. Observed deviations from an ideal quasicrystal structure can be explained as ``phason strains,'' a special class of defects predicted to be the dominant type of imperfection formed during solidification.},
        Author = {Steinhardt, Paul J.},
        Copyright = {Copyright 1987 American Association for the Advancement of Science},
        Date-Added = {2007-09-20 15:31:29 -0400},
        Date-Modified = {2007-09-20 15:31:36 -0400},
        Issn = {0036-8075},
        Journal = {Science},
        Jstor_Articletype = {Full Length Article},
        Jstor_Date = {19871127},
        Jstor_Formatteddate = {Nov. 27, 1987},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/steinhart_science.pdf},
        Month = {nov},
        Number = {4831},
        Pages = {1242--1247},
        Publisher = {American Association for the Advancement of Science},
        Series = {3},
        Title = {Icosahedral Solids: A New Phase of Matter?},
        Url = {http://links.jstor.org/sici?sici=0036-8075%2819871127%293%3A238%3A4831%3C1242%3AISANPO%3E2.0.CO%3B2-I},
        Volume = {238},
        Year = {1987}}

@article{Waal:1995lr,
        Abstract = {It is proposed that the splitting of the second peak of the total static structure factor, S(k), of many metallic glasses is essentially the same feature as the indentation at k{$[$}sigma{$]$} = (9/2){$[$}pi{$]$} in the function (sin k {$[$}sigma{$]$} + {$[$}alpha{$]$}-1 sin k{$[$}alpha{$]$}{$[$}sigma{$]$}), caused by the coincidence of the fourth minimum of the second term with the third maximum of the first term when {$[$}alpha{$]$} {$[$}approximate{$]$} 5/3. Together with the strong-weak relation of the split peak components of S(k), this feature indicates the splitting to be direct evidence for face-sharing of regular tetrahedra ({$[$}alpha{$]$} = 2{$[$}square root{$]$}2/3) dominating the topological short range order; increasing the number of face-sharing tetrahedra in local structural units indeed increases the amount of peak splitting in S(k); a dense random packing of well defined identical structural units (DRPSU), with neighbouring units linked together by a shared icosahedron, is described in detail. The packing fraction in a homogeneous, isotropic 1078-atom model is 0.67, after static relaxation under a two-body Lennard-Jones potential.},
        Author = {van de Waal, Benjamin W.},
        Date-Added = {2007-09-20 13:17:52 -0400},
        Date-Modified = {2007-09-20 13:18:07 -0400},
        Journal = {J. Non-Cryst. Solids},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/sdarticle1.pdf},
        Number = {1-2},
        Pages = {118--128},
        Title = {On the origin of second-peak splitting in the static structure factor of metallic glasses},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TXM-3YB50T0-Y/2/cfc3dd6cbf53b26af1daf9cddb6dd2e3},
        Volume = {189},
        Year = {1995}}

@article{turnbull:411,
        Author = {David Turnbull},
        Date-Added = {2007-09-19 16:54:15 -0400},
        Date-Modified = {2007-09-19 16:58:15 -0400},
        Doi = {10.1063/1.1700435},
        Journal = {J. Chem. Phys.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_20_411.pdf},
        Number = {3},
        Pages = {411-424},
        Publisher = {AIP},
        Title = {Kinetics of Solidification of Supercooled Liquid Mercury Droplets},
        Url = {http://link.aip.org/link/?JCP/20/411/1},
        Volume = {20},
        Year = {1952}}

@article{235821,
        Address = {New York, NY, USA},
        Author = {C. Bradford Barber and David P. Dobkin and Hannu Huhdanpaa},
        Date-Added = {2007-09-18 19:11:42 -0400},
        Date-Modified = {2007-09-18 19:11:50 -0400},
        Doi = {http://doi.acm.org/10.1145/235815.235821},
        Issn = {0098-3500},
        Journal = {ACM Trans. Math. Softw.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/p469-barber.pdf},
        Number = {4},
        Pages = {469--483},
        Publisher = {ACM Press},
        Title = {The quickhull algorithm for convex hulls},
        Volume = {22},
        Year = {1996}}

@article{0031-9155-41-9-016,
        Abstract = {Volume measurements are useful in many branches of science and medicine. They are usually accomplished by acquiring a sequence of cross sectional images through the object using an appropriate scanning modality, for example x-ray computed tomography (CT), magnetic resonance (MR) or ultrasound (US). In the cases of CT and MR, a dividing cubes algorithm can be used to describe the surface as a triangle mesh. However, such algorithms are not suitable for US data, especially when the image sequence is multiplanar (as it usually is). This problem may be overcome by manually tracing regions of interest (ROIs) on the registered multiplanar images and connecting the points into a trianglar mesh. In this paper we describe and evaluate a new discreet form of Gauss' theorem which enables the calculation of the volume of any enclosed surface described by a triangular mesh. The volume is calculated by summing the vector product of the centroid, area and normal of each surface triangle. The algorithm was tested on computer-generated objects, US-scanned balloons, livers and kidneys and CT-scanned clay rocks. The results, expressed as the mean percentage difference one standard deviation were , , and \% for balloons, livers, kidneys and rocks respectively. The results compare favourably with other volume estimation methods such as planimetry and tetrahedral decomposition.},
        Author = {S W Hughes, T J D'Arcy, D J Maxwell, J E Saunders, C F Ruff, W S C Chiu and R J Sheppard},
        Date-Added = {2007-09-18 18:49:49 -0400},
        Date-Modified = {2007-09-18 18:49:55 -0400},
        Journal = {Physics in Medicine and Biology},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/m60915.pdf},
        Number = {9},
        Pages = {1809-1821},
        Title = {Application of a new discreet form of Gauss' theorem for measuring volume},
        Url = {http://stacks.iop.org/0031-9155/41/1809},
        Volume = {41},
        Year = {1996}}

@article{Balucani:1990fk,
        Author = {Balucani, U. and Vallauri, R.},
        Date-Added = {2007-09-18 11:47:47 -0400},
        Date-Modified = {2007-09-18 11:48:01 -0400},
        Journal = {Chem. Phys. Let.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/sdarticle0.pdf},
        Number = {1},
        Pages = {77--81},
        Title = {Evolution of bond-angle distribution from liquid to glassy states},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TFN-44XDV0S-9H/2/fa1467fe68d6474b775de0f4cfd7f7ab},
        Volume = {166},
        Year = {1990}}

@article{Sheng:2006lr,
        Annote = {10.1038/nature04421},
        Author = {Sheng, H. W. and Luo, W. K. and Alamgir, F. M. and Bai, J. M. and Ma, E.},
        Date-Added = {2007-09-17 12:50:02 -0400},
        Date-Modified = {2007-09-17 12:50:07 -0400},
        Isbn = {0028-0836},
        Journal = {Nature},
        L3 = {http://www.nature.com/nature/journal/v439/n7075/suppinfo/nature04421_S1.html},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/nature04421.pdf},
        M3 = {10.1038/nature04421},
        Number = {7075},
        Pages = {419--425},
        Title = {Atomic packing and short-to-medium-range order in metallic glasses},
        Ty = {JOUR},
        Url = {http://dx.doi.org/10.1038/nature04421},
        Volume = {439},
        Year = {2006}}

@article{19521106,
        Author = {Frank, F. C.},
        Copyright = {Copyright 1952 The Royal Society},
        Date-Added = {2007-09-17 12:26:50 -0400},
        Date-Modified = {2007-09-17 12:26:56 -0400},
        Group = {A Discussion on Theory of Liquids},
        Issn = {0080-4630},
        Journal = {Proc. R. Soc. London, Ser. A},
        Jstor_Articletype = {Full Length Article},
        Jstor_Date = {19521106},
        Jstor_Formatteddate = {Nov. 6, 1952},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/frank_icos_liq.pdf},
        Month = {nov},
        Number = {1120},
        Pages = {43--46},
        Publisher = {The Royal Society},
        Title = {Supercooling of Liquids},
        Url = {http://links.jstor.org/sici?sici=0080-4630%2819521106%29215%3A1120%3C43%3ASOL%3E2.0.CO%3B2-9},
        Volume = {215},
        Year = {1952}}

@article{PhysRevLett.91.135505,
        Author = {Di Cicco, Andrea and Trapananti, Angela and Faggioni, Silena and Filipponi, Adriano},
        Date-Added = {2007-09-17 12:15:58 -0400},
        Date-Modified = {2007-09-17 12:16:09 -0400},
        Doi = {10.1103/PhysRevLett.91.135505},
        Journal = {Phys. Rev. Lett.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/e135505.pdf},
        Month = {Sep},
        Number = {13},
        Numpages = {4},
        Pages = {135505},
        Publisher = {American Physical Society},
        Title = {Is There Icosahedral Ordering in Liquid and Undercooled Metals?},
        Volume = {91},
        Year = {2003}}

@article{duijneveldt:4655,
        Author = {J. S. van Duijneveldt and D. Frenkel},
        Date-Added = {2007-09-13 16:50:13 -0400},
        Date-Modified = {2007-09-13 16:50:22 -0400},
        Doi = {10.1063/1.462802},
        Journal = {J. Chem. Phys.},
        Keywords = {COMPUTERIZED SIMULATION; FREE ENERGY; CRYSTALS; NUCLEATION; THERMAL BARRIERS; MONTE CARLO METHOD; SUPERCOOLED LIQUIDS; FCC LATTICES; BCC LATTICES; SIMULATION; HOMOGENEITY},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_96_4655.pdf},
        Number = {6},
        Pages = {4655-4668},
        Publisher = {AIP},
        Title = {Computer simulation study of free energy barriers in crystal nucleation},
        Url = {http://link.aip.org/link/?JCP/96/4655/1},
        Volume = {96},
        Year = {1992}}

@article{Jiang:2005lr,
        Author = {Hongjin Jiang and Kyoung-sik Moon and Wong, C. P.},
        Date-Added = {2007-09-11 14:55:57 -0400},
        Date-Modified = {2007-09-11 14:56:06 -0400},
        Isbn = {1550-5723},
        Journal = {Advanced Packaging Materials: Processes, Properties and Interfaces, 2005. Proceedings. International Symposium on},
        Journal1 = {Advanced Packaging Materials: Processes, Properties and Interfaces, 2005. Proceedings. International Symposium on},
        Keywords = {adhesives; conducting polymers; copper alloys; filled polymers; filler metals; integrated circuit interconnections; materials preparation; nanoparticles; powder technology; powders; silver alloys; Ag-Cu alloy nanoparticle synthesis; AgCu; TEM observation; UV absorption; conductive filler; electrically conductive adhesive; lead-free interconnect material; mixed alloy structure; polyol process; silver-copper alloy},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/01432072.pdf},
        Pages = {173--177},
        Title = {Synthesis of Ag-Cu alloy nanoparticles for lead-free interconnect materials},
        Title1 = {Advanced Packaging Materials: Processes, Properties and Interfaces, 2005. Proceedings. International Symposium on},
        Ty = {CONF},
        Year = {2005}}

@unpublished{hartlandPrv2007,
        Author = {G. V. Hartland},
        Date-Added = {2007-09-10 16:28:58 -0400},
        Date-Modified = {2007-09-10 16:34:05 -0400},
        Howpublished = {(private communication)},
        Note = {Private Communication},
        Title = {Interfacial Conductance for Nanoparticles}}

@article{xuan:043507,
        Author = {Yimin Xuan and Qiang Li and Xing Zhang and Motoo Fujii},
        Date-Added = {2007-09-10 16:25:23 -0400},
        Date-Modified = {2007-09-10 16:26:01 -0400},
        Doi = {10.1063/1.2245203},
        Eid = {043507},
        Journal = {J. Appl. Phys.},
        Keywords = {nanoparticles; suspensions; stochastic processes; Brownian motion; heat transfer; thermal conductivity; two-phase flow},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/JApplPhys_100_043507.pdf},
        Number = {4},
        Numpages = {6},
        Pages = {043507},
        Publisher = {AIP},
        Title = {Stochastic thermal transport of nanoparticle suspensions},
        Url = {http://link.aip.org/link/?JAP/100/043507/1},
        Volume = {100},
        Year = {2006}}

@article{Henglein:1999fk,
        Abstract = {Colloidal silver sols of long-time stability are formed in the gamma-irradiation of 1.0 x 10(-4) M AgClO4 solutions, which also contain 0.3 M 2-propanol, 2.5 x 10(-2) M N2O, and sodium citrate in various concentrations. The reduction of Ag+ in these solutions is brought about by the I-hydroxyalkyl radical generated in the radiolysis of 2-propanol; citrate does not act as a reductant but solely as a stabilizer of the colloidal particles formed. Its concentration is varied in the range from 5.0 x 10(-5) to 1.5 x 10(-3) M, and the size and size distribution of the silver particles are studied by electron microscopy. At low citrate concentration, partly agglomerated large particles are formed that have many imperfections. In an intermediate range (a few 10(-4) M), well-separated particles with a rather narrow size distribution and little imperfections are formed, the size slightly decreasing with increasing citrate concentration. At high citrate concentrations, large lumps of coalesced silver particles are present, due to destabilization by the high ionic strength of the solution. These findings are explained by two growth mechanisms: condensation of small silver clusters (type-I growth), and reduction of Ag+ on silver particles via radical-to-particle electron transfer (type-II growth). The particles formed in the intermediate range of citrate concentration were studied by high-resolution electron microscopy and computer simulations. They constitute icosahedra and cuboctahedra.},
        Author = {Henglein, A and Giersig, M},
        Date-Added = {2007-09-07 18:11:39 -0400},
        Date-Modified = {2007-09-07 18:17:03 -0400},
        Journal = {J. Phys. Chem. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/jp9925334.pdf},
        Pages = {9533-9539},
        Title = {Formation of colloidal silver nanoparticles: Capping action of citrate},
        Volume = {103},
        Year = {1999}}

@article{Link:2000lr,
        Abstract = {Driven by the search for new materials with interesting and unique properties and also by the fundamental question of how atomic and molecular physical behaviour develops with increasing size, the field of nanoparticle research has grown immensely in the last two decades. Partially for these reasons, colloidal solutions of metallic (especially silver and gold) nanoparticles have long fascinated scientists because of their very intense colours. The intense red colour of colloidal gold nanoparticles is due to their surface plasmon absorption. This article describes the physical origin of the surface plasmon absorption in gold nanoparticles with emphasis on the Mie and also the Maxwell-Garnett theory and reviews the effects of particle size and shape on the resonance condition. A better understanding of the relationship between the optical absorption spectrum (in particular, the plasmon resonance) and such particle properties as its dimensions or surrounding environment can prove fruitful for the use of the plasmon absorption as an analytical tool. The plasmon resonance has also had a great impact on the Raman spectrum of surface-adsorbed molecules and a large enhancement of the fluorescence quantum yield of gold nanorods is observed. Furthermore, following the changes in the plasmon absorption induced by excitation (heating) with ultrashort laser pulses allows one to monitor the electron dynamics (electron-electron and electron-phonon interactions) in real time, which is important in understanding such fundamental questions regarding the thermal and electrical conductivity of these nanoparticles. Very intense heating with laser pulses leads to structural changes of the nanoparticles (nuclear rearrangements in the form of melting and fragmentation). ABSTRACT FROM AUTHOR Copyright of International Reviews in Physical Chemistry is the property of Taylor \& Francis Ltd and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts)},
        Abstract1 = {Driven by the search for new materials with interesting and unique properties and also by the fundamental question of how atomic and molecular physical behaviour develops with increasing size, the field of nanoparticle research has grown immensely in the last two decades. Partially for these reasons, colloidal solutions of metallic (especially silver and gold) nanoparticles have long fascinated scientists because of their very intense colours. The intense red colour of colloidal gold nanoparticles is due to their surface plasmon absorption. This article describes the physical origin of the surface plasmon absorption in gold nanoparticles with emphasis on the Mie and also the Maxwell-Garnett theory and reviews the effects of particle size and shape on the resonance condition. A better understanding of the relationship between the optical absorption spectrum (in particular, the plasmon resonance) and such particle properties as its dimensions or surrounding environment can prove fruitful for the use of the plasmon absorption as an analytical tool. The plasmon resonance has also had a great impact on the Raman spectrum of surface-adsorbed molecules and a large enhancement of the fluorescence quantum yield of gold nanorods is observed. Furthermore, following the changes in the plasmon absorption induced by excitation (heating) with ultrashort laser pulses allows one to monitor the electron dynamics (electron-electron and electron-phonon interactions) in real time, which is important in understanding such fundamental questions regarding the thermal and electrical conductivity of these nanoparticles. Very intense heating with laser pulses leads to structural changes of the nanoparticles (nuclear rearrangements in the form of melting and fragmentation). ABSTRACT FROM AUTHOR Copyright of International Reviews in Physical Chemistry is the property of Taylor \& Francis Ltd and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts)},
        Annote = {Accession Number: 3844873; Link, Stephan 1 El-Sayed, Mostafa A. 1; Affiliations:  1: Laser Dynamics Laboratory, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332-0400, USA; Source Information: Jul/Sep2000, Vol. 19 Issue 3, p409; Subject Term: MOLECULAR structure; Subject Term: NANOPARTICLES; Number of Pages: 45p; Document Type: Article},
        Author = {Link, Stephan and El-Sayed, Mostafa A.},
        Date-Added = {2007-09-07 16:21:48 -0400},
        Date-Modified = {2007-09-07 16:21:55 -0400},
        Isbn = {0144235X},
        J1 = {International Reviews in Physical Chemistry},
        Journal = {Int. Rev. Phys. Chem.},
        Journal1 = {International Reviews in Physical Chemistry},
        Keywords = {MOLECULAR structure; NANOPARTICLES},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/3844873.pdf},
        M3 = {Article},
        Number = {3},
        Pages = {409--453},
        Publisher = {Taylor \& Francis Ltd},
        Title = {Shape and size dependence of radiative, non-radiative and photothermal properties of gold nanocrystals.},
        Ty = {JOUR},
        Url = {http://search.ebscohost.com/login.aspx?direct=true&AuthType=ip,url,uid,cookie&db=afh&AN=3844873&site=ehost-live},
        Volume = {19},
        Year = {2000}}

@article{BROOKS:1985kx,
        Author = {Brooks, CL and Brunger, A and Karplus, M},
        Date-Added = {2007-09-06 15:55:51 -0400},
        Date-Modified = {2007-09-06 15:56:44 -0400},
        Journal = {Biopolymers},
        Pages = {843-865},
        Title = {ACTIVE-SITE DYNAMICS IN PROTEIN MOLECULES - A STOCHASTIC BOUNDARY MOLECULAR-DYNAMICS APPROACH},
        Volume = {24},
        Year = {1985}}

@article{BRUNGER:1984fj,
        Author = {Brunger, A and Brooks, CL and Karplus, M},
        Date-Added = {2007-09-06 15:55:51 -0400},
        Date-Modified = {2007-09-06 15:56:36 -0400},
        Journal = {Chem. Phys. Let.},
        Pages = {495-500},
        Title = {STOCHASTIC BOUNDARY-CONDITIONS FOR MOLECULAR-DYNAMICS SIMULATIONS OF ST2 WATER},
        Volume = {105},
        Year = {1984}}

@article{BROOKS:1983uq,
        Author = {Brooks, CL and Karplus, M},
        Date-Added = {2007-09-06 15:55:51 -0400},
        Date-Modified = {2007-09-06 15:56:24 -0400},
        Journal = {J. Chem. Phys.},
        Pages = {6312-6325},
        Title = {DEFORMABLE STOCHASTIC BOUNDARIES IN MOLECULAR-DYNAMICS},
        Volume = {79},
        Year = {1983}}

@book{Strandburg:1992qy,
        Address = {New York},
        Annote = {LDR    01152pam  2200301 a 4500
001    2960109
005    19920314112708.5
008    910605s1992    nyua     b    001 0 eng  
035    $9(DLC)   91020237
906    $a7$bcbc$corignew$d1$eocip$f19$gy-gencatlg
955    $apc17 to ea00 06-05-91; ea27 to SCD 06-05-91; fg08 06-06-91; fm27 6-11-91; CIP ver. bc27 03-07-92; to SL 03-14-92
010    $a   91020237 
020    $a0387976388 (U.S. : alk. paper)
020    $a3540976388
040    $aDLC$cDLC$dDLC
050 00 $aQC173.4.C65$bB66 1992
082 00 $a530.4/1$220
245 00 $aBond-orientational order in condensed matter systems /$cKatherine J. Strandburg, editor ; foreword by David R. Nelson.
260    $aNew York :$bSpringer-Verlag,$c1992.
300    $axi, 388 p. :$bill. ;$c25 cm.
440  0 $aPartially ordered systems
504    $aIncludes bibliographical references and index.
650  0 $aCondensed matter.
650  0 $aCrystals.
650  0 $aGlass.
650  0 $aPhase transformations (Statistical physics)
700 1  $aStrandburg, Katherine Jo,$d1957-
991    $bc-GenColl$hQC173.4.C65$iB66 1992$p00036991264$tCopy 1$wBOOKS
},
        Author = {Strandburg, Katherine Jo},
        Call-Number = {QC173.4.C65},
        Date-Added = {2007-09-06 15:29:04 -0400},
        Date-Modified = {2007-09-06 15:29:37 -0400},
        Dewey-Call-Number = {530.4/1},
        Genre = {Condensed matter},
        Isbn = {0387976388 (U.S. : alk. paper)},
        Library-Id = {91020237},
        Publisher = {Springer-Verlag},
        Title = {Bond-orientational order in condensed matter systems},
        Year = {1992}}

@book{Kittel:1996fk,
        Address = {New York},
        Annote = {LDR    01170cam  2200289 a 4500
001    1143187
005    20060719213349.0
008    950426s1996    nyua     b    001 0 eng  
906    $a7$bcbc$corignew$d1$eocip$f19$gy-gencatlg
955    $apc01 to JA00 04-26-95; je39 04-27-95; je05 to DDC 04-27-95; CIP ver. pv08 07-27-95
035    $9(DLC)   95018445
010    $a   95018445 
020    $a0471111813 (alk. paper)
040    $aDLC$cDLC$dDLC
050 00 $aQC176$b.K5 1996
082 00 $a530.4/1$220
100 1  $aKittel, Charles.
245 10 $aIntroduction to solid state physics /$cCharles Kittel.
250    $a7th ed.
260    $aNew York :$bWiley,$cc1996.
300    $axi, 673 p. :$bill. ;$c25 cm.
504    $aIncludes bibliographical references and index.
650  0 $aSolid state physics.
856 42 $3Publisher description$uhttp://www.loc.gov/catdir/description/wiley033/95018445.html
856 4  $3Table of Contents only$uhttp://www.loc.gov/catdir/toc/onix03/95018445.html
856 42 $3Contributor biographical information$uhttp://www.loc.gov/catdir/enhancements/fy0607/95018445-b.html
991    $bc-GenColl$hQC176$i.K5 1996$p00035929873$tCopy 1$wBOOKS
},
        Author = {Kittel, Charles},
        Call-Number = {QC176},
        Date-Added = {2007-09-06 15:23:29 -0400},
        Date-Modified = {2007-09-06 15:25:11 -0400},
        Dewey-Call-Number = {530.4/1},
        Edition = {7th ed},
        Genre = {Solid state physics},
        Isbn = {0471111813 (alk. paper)},
        Library-Id = {95018445},
        Publisher = {Wiley},
        Title = {Introduction to solid state physics},
        Url = {http://www.loc.gov/catdir/description/wiley033/95018445.html},
        Year = {1996}}

@misc{Hartland:2003lr,
        Abstract = {Laser excitation of metal nanoparticles can provide enough energy to melt or even fragment the particles. In this article we describe some recent experiments where controlled laser excitation was used to transform core-shell bimetallic particles into the corresponding alloy. Results for Au-Ag particles in solution and in a thin film are presented. Details are given about the excitation energies needed for alloying and how interdiffusion and alloying occur in nanoparticles. The spectral and dynamical properties of bimetallic particles are also discussed - especially as they pertain to our experiments.},
        Author = {Hartland, GV and Guillaudeu, S and Hodak, JH},
        Date-Added = {2007-09-06 15:19:25 -0400},
        Date-Modified = {2007-09-06 15:19:59 -0400},
        Note = {Molecules As Components of Electronic Devices},
        Pages = {106-122},
        Series = {ACS SYMPOSIUM SERIES},
        Title = {Laser-induced alloying in metal nanoparticles: Controlling spectral properties with light},
        Volume = {844},
        Year = {2003}}

@article{HengleinA._jp992950g,
        Affiliation = {Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556},
        Author = {Henglein, A.},
        Date-Added = {2007-09-06 15:01:20 -0400},
        Date-Modified = {2007-09-06 15:01:27 -0400},
        Issn = {1520-6106},
        Journal = {J. Phys. Chem. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/jp992950g.pdf},
        Number = {6},
        Pages = {1206-1211},
        Title = {Formation and Absorption Spectrum of Copper Nanoparticles from the Radiolytic Reduction of Cu(CN)2-},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp992950g},
        Volume = {104},
        Year = {2000}}

@article{Petrova:2007qy,
        Abstract = {This paper describes our recent time-resolved spectroscopy studies of the properties of gold particles at high laser excitation levels. In these experiments, an intense pump laser pulse rapidly heats the particle, creating very high lattice temperatures - up to the melting point of bulk gold. These high temperatures can have dramatic effects on the particle and the surroundings. The lattice temperature created is determined by observing the coherently excited the vibrational modes of the particles. The periods of these modes depend on temperature, thus, they act as an internal thermometer. We have used these experiments to provide values for the threshold temperatures for explosive boiling of the solvent surrounding the particles, and laser induced structural transformations in non-spherical particles. The results of these experiments are relevant to the use of metal nanoparticles in photothermal therapy, where laser induced heating is used to selectively kill cells.},
        Author = {Petrova, Hristina and Hu, Min and Hartland, Gregory V.},
        Date-Added = {2007-09-06 14:47:57 -0400},
        Date-Modified = {2007-09-06 14:49:36 -0400},
        Doi = {DOI 10.1524/zpch.2007.221.3.361},
        Journal = {Z. Phys. Chem.},
        Keywords = {metal nanoparticles; phonon modes; photothermal properties; laser-induced heating},
        Pages = {361-376},
        Title = {Photothermal properties of gold nanoparticles},
        Volume = {221},
        Year = {2007}}

@article{Hartland:2004fk,
        Author = {Gregory V. Hartland},
        Date-Added = {2007-09-06 14:34:21 -0400},
        Date-Modified = {2007-09-06 14:37:40 -0400},
        Journal = {Phys. Chem. Chem. Phys.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/b413368d.pdf},
        Number = {23},
        Pages = {5263-5274},
        Title = {Measurements of the material properties of metal nanoparticles by time-resolved spectroscopy},
        Volume = {6},
        Year = {2004}}

@article{Qi:2001nn,
        Author = {Yue Qi and Tahir Cagin and William L. Johnson and William A. Goddard III},
        Date-Added = {2007-09-06 13:34:45 -0400},
        Date-Modified = {2007-09-06 13:34:45 -0400},
        Journal = {J. Chem. Phys.},
        Keywords = {melting; freezing; crystallisation; nickel; nanostructured materials; metal clusters},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Qi/2001.pdf},
        Number = {1},
        Pages = {385-394},
        Publisher = {AIP},
        Title = {Melting and crystallization in Ni nanoclusters: The mesoscale regime},
        Url = {http://link.aip.org/link/?JCP/115/385/1},
        Volume = {115},
        Year = {2001}}

@article{Cleveland:1997jb,
        Author = {Charles L. Cleveland and Uzi Landman and Thomas G. Schaaff and Marat N. Shafigullin and Peter W. Stephens and Robert L. Whetten},
        Date-Added = {2007-09-06 13:34:10 -0400},
        Date-Modified = {2007-09-06 13:34:10 -0400},
        Journal = {Phys. Rev. Lett.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Cleveland/1997a.pdf},
        Pages = {1873-1876},
        Title = {Structural Evolution of Smaller Gold Nanocrystals: The Truncated Decahedral Motif},
        Volume = {79},
        Year = {1997}}

@article{Roy:2003dy,
        Author = {R.K. Roy and S.K. Mandal and A.K. Pal},
        Date-Added = {2007-09-06 13:32:38 -0400},
        Date-Modified = {2007-09-06 13:32:38 -0400},
        Journal = {Eur. Phys. J. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Roy/2003.pdf},
        Pages = {109-114},
        Title = {Effect of interfacial alloying on the surface plasmon resonance of nanocrystalline Au-Ag multilayer thin films},
        Volume = {33},
        Year = {2003}}

@article{gonzalo:5163,
        Author = {J. Gonzalo and D. Babonneau and C. N. Afonso and J.-P. Barnes},
        Date-Added = {2007-09-06 13:32:05 -0400},
        Date-Modified = {2007-09-06 13:32:05 -0400},
        Journal = {J. Appl. Phys.},
        Keywords = {alumina; silver; copper; nanocomposites; metallic thin films; pulsed laser deposition; surface plasmon resonance; spectral line shift; nucleation; visible spectra; electron diffraction; electron microscopy},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Gonzalo/2004.pdf},
        Number = {9},
        Pages = {5163-5168},
        Publisher = {AIP},
        Title = {Optical response of mixed Ag-Cu nanocrystals produced by pulsed laser deposition},
        Url = {http://link.aip.org/link/?JAP/96/5163/1},
        Volume = {96},
        Year = {2004}}

@article{Kim:2003lv,
        Author = {M. Kim and H. Na and K. C. Lee and E. A. Yoo and M. Lee},
        Date-Added = {2007-09-06 13:31:15 -0400},
        Date-Modified = {2007-09-06 13:31:15 -0400},
        Journal = {J. Mat. Chem},
        Number = {7},
        Pages = {1789-1792},
        Title = {Preperation and characterization of Au-Ag and Au-Cu alloy nanoparticles in chloroform.},
        Volume = {13},
        Year = {2003}}

@article{Malyavantham:2004cu,
        Author = {Malyavantham, Gokul and O'Brien, Daniel T. and Becker, Michael F. and Keto, John W. and Kovar, Desiderio},
        Date-Added = {2007-09-06 13:30:22 -0400},
        Date-Modified = {2007-09-06 13:30:22 -0400},
        Journal = {J. Nanopart. Res.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Malyavantham/2004.pdf},
        Number = {6},
        Pages = {661 --664},
        Title = {Au-Cu nanoparticles produced by laser ablation of mixtures of Au and Cu microparticles},
        Ty = {JOUR},
        Url = {http://www.springerlink.com/openurl.asp?genre=article\& id=doi:10.1007/s11051-004-3212-z},
        Volume = {6},
        Year = {2004}}

@article{Ludwig:2003lr,
        Address = {Physikalische Chemie, Fachbereich Chemie, Universitat Dortmund, Otto-Hahn-Strasse 6, 44221 Dortmund, Germany. ludwig@pc2a.chemie.uni-dortmund.de},
        Au = {Ludwig, R},
        Author = {Ludwig, Ralf},
        Da = {20030805},
        Date-Added = {2007-07-16 17:00:26 -0400},
        Date-Modified = {2007-07-16 17:00:26 -0400},
        Dcom = {20040511},
        Doi = {10.1002/anie.200301658},
        Edat = {2003/08/06 05:00},
        Issn = {1433-7851 (Print)},
        Jid = {0370543},
        Journal = {Angew Chem Int Ed Engl},
        Jt = {Angewandte Chemie (International ed. in English)},
        Language = {eng},
        Lr = {20070119},
        Mhda = {2003/08/06 05:01},
        Number = {30},
        Own = {NLM},
        Pages = {3458--3460},
        Pl = {Germany},
        Pmid = {12900957},
        Pst = {ppublish},
        Pt = {Journal Article},
        Pubm = {Print},
        So = {Angew Chem Int Ed Engl. 2003 Aug 4;42(30):3458-60.},
        Stat = {PubMed-not-MEDLINE},
        Title = {How does water bind to metal surfaces: hydrogen atoms up or hydrogen atoms down?},
        Volume = {42},
        Year = {2003}}

@article{SpohrE._j100353a043,
        Author = {Spohr, E.},
        Date-Added = {2007-07-16 16:44:34 -0400},
        Date-Modified = {2007-07-16 16:45:17 -0400},
        Issn = {0022-3654},
        Journal = {J. Phys. Chem.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Spohr/1989.pdf},
        Number = {16},
        Pages = {6171-6180},
        Title = {Computer simulation of the water/platinum interface},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/j100353a043},
        Volume = {93},
        Year = {1989}}

@article{kay:5120,
        Author = {Bruce D. Kay and Keith R. Lykke and J. Randall Creighton and Stephen J. Ward},
        Date-Added = {2007-07-16 14:10:25 -0400},
        Date-Modified = {2007-07-16 14:10:38 -0400},
        Doi = {10.1063/1.457606},
        Journal = {J. Chem. Phys.},
        Keywords = {CHEMISORPTION; CHEMICAL BONDS; AMMONIA; HYDROFLUORIC ACID; WATER; GOLD; SORPTIVE PROPERTIES; LOW TEMPERATURE; DESORPTION; ADSORBATES; HYDROGEN BONDS; DESORPTION SPECTROSCOPY},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Kay/1989.pdf},
        Number = {8},
        Pages = {5120-5121},
        Publisher = {AIP},
        Title = {The influence of adsorbate--absorbate hydrogen bonding in molecular chemisorption: NH[sub 3], HF, and H[sub 2]O on Au(111)},
        Url = {http://link.aip.org/link/?JCP/91/5120/1},
        Volume = {91},
        Year = {1989}}

@article{MahaffyR._jp962281w,
        Affiliation = {Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802},
        Author = {Mahaffy, R. and Bhatia, R. and Garrison, B.J.},
        Date-Added = {2007-07-05 12:36:54 -0400},
        Date-Modified = {2007-07-05 12:37:01 -0400},
        Issn = {1520-6106},
        Journal = {J. Phys. Chem. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Mahaffy/1997.pdf},
        Number = {5},
        Pages = {771-773},
        Title = {Diffusion of a Butanethiolate Molecule on a Au{111} Surface},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp962281w},
        Volume = {101},
        Year = {1997}}

@article{LuedtkeW.D._jp981745i,
        Affiliation = {School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332-0430},
        Author = {Luedtke, W.D. and Landman, U.},
        Date-Added = {2007-07-05 12:13:33 -0400},
        Date-Modified = {2007-07-05 12:13:42 -0400},
        Issn = {1520-6106},
        Journal = {J. Phys. Chem. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Luedtke/1998.pdf},
        Number = {34},
        Pages = {6566-6572},
        Title = {Structure and Thermodynamics of Self-Assembled Monolayers on Gold Nanocrystallites},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp981745i},
        Volume = {102},
        Year = {1998}}

@article{LuedtkeW.D._jp961721g,
        Affiliation = {School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332},
        Author = {Luedtke, W.D. and Landman, U.},
        Date-Added = {2007-07-05 12:06:28 -0400},
        Date-Modified = {2007-07-05 12:07:32 -0400},
        Issn = {0022-3654},
        Journal = {Journal of Physical Chemistry},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Luedtke/1996.pdf},
        Number = {32},
        Pages = {13323-13329},
        Title = {Structure, Dynamics, and Thermodynamics of Passivated Gold Nanocrystallites and Their Assemblies},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp961721g},
        Volume = {100},
        Year = {1996}}

@article{0957-4484-17-18-037,
        Abstract = {Molecular dynamics simulations are used to investigate the microstructures of Cu\&ndash;Ni nanoparticles with different concentrations of oversized atoms added to them. A many body second moment tight binding approximation potential is adopted to model the interatomic interactions. The Honeycutt\&ndash;Anderson (HA) pair analysis technique is adopted to analyse in detail the transformation between local structures at different temperatures. From the simulation results, at temperatures higher than the melting point, the nanoparticles are in a liquid state and an icosahedral local structure is most frequently found inside the nanoparticles. At temperatures beneath the melting point, the fraction of FCC local structure increases with decreasing concentrations of the larger size atoms, whereas a larger fraction of amorphous structure still remains in the solid state for higher concentrations of oversized atoms. This is because the effects of distortion and misfit are more significant for a nanoparticle having a higher concentration of oversized atoms. },
        Author = {Shin-Pon Ju and Cheng-I Weng and Yi-Yun Chang and Yung-Yun Chen},
        Date-Added = {2007-07-02 01:26:44 -0400},
        Date-Modified = {2007-07-02 01:26:56 -0400},
        Journal = {Nanotechnology},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Ju/2006.pdf},
        Number = {18},
        Pages = {4748-4757},
        Title = {The effect of added oversized elements on the microstructure of binary alloy nanoparticles},
        Url = {http://stacks.iop.org/0957-4484/17/4748},
        Volume = {17},
        Year = {2006}}

@article{Miracle:2006qy,
        Author = {Miracle, D. B.},
        Date-Added = {2007-07-01 16:38:41 -0400},
        Date-Modified = {2007-07-01 16:38:59 -0400},
        Journal = {Acta Mater.},
        Keywords = {Metallic glasses; Atomic structure; Modeling},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Miracle/2006.pdf},
        Number = {16},
        Pages = {4317--4336},
        Title = {The efficient cluster packing model - An atomic structural model for metallic glasses},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TW8-4KKFPJ4-1/2/3bbef4be6c2fefecca2370b67cc5f7e2},
        Volume = {54},
        Year = {2006}}

@article{Manai:2007fk,
        Author = {Manai, G. and Delogu, F.},
        Date-Added = {2007-07-01 16:29:22 -0400},
        Date-Modified = {2007-07-01 16:29:49 -0400},
        Journal = {Physica B: Condensed Matter},
        Keywords = {Molecular dynamics; Melting; Bulk metal; Nanocrystalline metal; Kinetics},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Manai/2007.pdf},
        Number = {1-2},
        Pages = {288--297},
        Title = {Numerical simulations of the melting behavior of bulk and nanometer-sized Cu systems},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TVH-4MMFJ3P-1/2/23cfabe81d2b2b75cf1322fff7438ea0},
        Volume = {392},
        Year = {2007}}

@article{Iwamatsu:2007lr,
        Author = {Iwamatsu, Masao},
        Date-Added = {2007-07-01 16:17:54 -0400},
        Date-Modified = {2007-07-01 16:18:30 -0400},
        Journal = {Mater. Sci. Eng., A},
        Keywords = {Binary cluster; Icosahedral cluster; Binary alloy; Glass; Undercooled liquid},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Iwamatsu/2007.pdf},
        Pages = {975-978},
        Title = {Icosahedral binary clusters of glass-forming Lennard-Jones binary alloy},
        Title1 = {Proceedings of the 12th International Conference on Rapidly Quenched \& Metastable Materials},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TXD-4KPP4D7-12/2/068458774eaf66383a5a3eefe2118657},
        Volume = {449-451},
        Year = {2007}}

@article{HoneycuttJ.Dana_j100303a014,
        Author = {Honeycutt, J. Dana and Andersen, Hans C.},
        Date-Added = {2007-07-01 13:21:04 -0400},
        Date-Modified = {2007-07-01 13:21:24 -0400},
        Issn = {0022-3654},
        Journal = {J. Phys. Chem.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Honeycutt/1987.pdf},
        Number = {19},
        Pages = {4950-4963},
        Title = {Molecular dynamics study of melting and freezing of small Lennard-Jones clusters},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/j100303a014},
        Volume = {91},
        Year = {1987}}

@article{PhysRevLett.60.2295,
        Author = {J\'onsson, Hannes and Andersen, Hans C.},
        Date-Added = {2007-07-01 13:05:37 -0400},
        Date-Modified = {2007-07-01 13:06:07 -0400},
        Doi = {10.1103/PhysRevLett.60.2295},
        Journal = {Phys. Rev. Lett.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/J%5C'onsson/1988.pdf},
        Month = {May},
        Number = {22},
        Numpages = {3},
        Pages = {2295-2298},
        Publisher = {American Physical Society},
        Title = {Icosahedral Ordering in the Lennard-Jones Liquid and Glass},
        Volume = {60},
        Year = {1988}}

@article{Buscaglia:1997fk,
        Author = {Gustavo C. Buscaglia and Enzo A. Dari},
        Date-Added = {2007-06-15 13:34:55 -0400},
        Date-Modified = {2007-06-15 13:37:30 -0400},
        Journal = {International Journal for Numerical Methods in Engineering},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Buscaglia/1997.pdf},
        Number = {22},
        Pages = {4119-4136},
        Title = {Anisotropic mesh optimization and its application in adaptivity},
        Volume = {40},
        Year = {1997}}

@article{Guymon:2005fk,
        Author = {C.G. Guymon and R.L. Rowley and J. N. Harb and D.R. Wheeler},
        Date-Added = {2007-06-07 14:31:36 -0400},
        Date-Modified = {2007-06-07 14:34:21 -0400},
        Journal = {Condensed Matter Physics},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Guymon/2005.pdf},
        Number = {2},
        Pages = {335-356},
        Title = {Simulating an electrochemical interface using charge dynamics},
        Volume = {8},
        Year = {2005}}

@article{MURRAY:1984lr,
        Author = {Murray, J. L.},
        Date-Added = {2007-05-16 15:08:28 -0400},
        Date-Modified = {2007-05-16 15:17:54 -0400},
        Isi = {ISI:A1984SC15900002},
        Issn = {0360-2133},
        Journal = {Metall. Trans.},
        Number = {2},
        Pages = {261-268},
        Publication-Type = {J},
        Title = {CALCULATIONS OF STABLE AND METASTABLE EQUILIBRIUM DIAGRAMS OF THE AG-CU AND CD-ZN SYSTEMS},
        Volume = {15},
        Year = {1984}}

@misc{kimura-quantum,
        Author = {Y. Kimura and T. Cagin},
        Date-Added = {2007-05-15 16:46:32 -0400},
        Date-Modified = {2007-05-15 17:56:21 -0400},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Goddard%20III/51.pdf},
        Text = {Y. Kimura, T. Cagin, and W. A. Goddard III, The Quantum Sutton-Chen ManyBody Potential for Properties of FCC metals, Phys. Rev., to be submitted.},
        Title = {The Quantum Sutton-Chen ManyBody Potential for Properties of FCC metals},
        Url = {citeseer.ist.psu.edu/150963.html}}

@article{neubauer:046106,
        Author = {H. Neubauer and S. G. Mayr},
        Date-Added = {2007-05-10 17:42:37 -0400},
        Date-Modified = {2007-05-10 17:49:52 -0400},
        Eid = {046106},
        Journal = {J. Appl. Phys.},
        Keywords = {copper alloys; gold alloys; nanostructured materials; metal clusters; liquid alloys; molecular dynamics method; surface energy; fluctuations; rotation},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Neubauer/2007.pdf},
        Number = {4},
        Numpages = {3},
        Pages = {046106},
        Publisher = {AIP},
        Title = {Dealloying of liquid CuAu nanoclusters during rotary motion: A molecular dynamics study},
        Url = {http://link.aip.org/link/?JAP/101/046106/1},
        Volume = {101},
        Year = {2007}}

@article{0965-0393-7-2-005,
        Abstract = {The multilayer relaxation at (100), (110), (111), (210), (211), (310), (311) and (331) surfaces of the fcc metals Cu, Ag, Au, Ni, Pd, Pt, Al and Pb are calculated using the modified embedded atom method. The `anomalous' outward relaxation at Al (100), (111), Pt (111), and Cu (111) surfaces is described correctly. The relief of surface stress and tension on the relaxation is studied on (111), (100) and (110) surfaces. In general, the surface stress in the direction of the surface normal determines the relaxation direction except for the Al (110) surface. When the surface stress is negative, the surface relaxation is inward; otherwise, the relaxation is outward. An interesting result is that the surface tension does not always decrease after relaxation. The outward relaxation will induce the increase in surface tension while the inward relaxation induces the decrease in surface tension. },
        Author = {Jun Wan and Y L Fan and D W Gong and S G Shen and X Q Fan},
        Date-Added = {2007-05-08 16:04:42 -0400},
        Date-Modified = {2007-05-08 16:04:50 -0400},
        Journal = {Modell. Simul. Mater. Sci. Eng.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Wan/1999.pdf},
        Number = {2},
        Pages = {189-206},
        Title = {Surface relaxation and stress of fcc metals: Cu, Ag, Au, Ni, Pd, Pt, Al and Pb},
        Url = {http://stacks.iop.org/0965-0393/7/189},
        Volume = {7},
        Year = {1999}}

@article{Chen:2001qy,
        Author = {Chen, M. and Yang, C. and Guo, Z. Y.},
        Date-Added = {2007-05-08 15:48:11 -0400},
        Date-Modified = {2007-05-08 15:48:22 -0400},
        Journal = {International Journal of Thermophysics},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/fulltext.pdf},
        M3 = {10.1023/A:1010632813438},
        Number = {4},
        Pages = {1295-1302},
        Title = {Surface Tension of Ni-Cu Alloys: A Molecular Simulation Approach},
        Ty = {JOUR},
        Url = {http://dx.doi.org/10.1023/A:1010632813438},
        Volume = {22},
        Year = {2001}}

@article{Bondi:1964fk,
        Author = {A. Bondi},
        Date-Added = {2007-05-08 14:44:17 -0400},
        Date-Modified = {2007-05-08 14:45:19 -0400},
        Journal = {J. Phys. Chem.},
        Number = {3},
        Pages = {441-451},
        Title = {van der Waals Volumes and Radii},
        Volume = {63},
        Year = {1964}}

@article{0957-0233-16-2-015,
        Abstract = {It is usually known that the surface tension of liquid metals and alloys decreases with increasing temperature, i.e., the temperature dependence of the surface tension is negative. We found, however, that some liquid alloys, which have large difference of the surface tension of pure components, show positive temperature dependence in certain composition ranges. Some Pb-free alloys, for which information on the surface tension is indispensable to be developed as environmental-friendly material, can be listed in this special category. The experimental results and the thermodynamic analysis of the temperature dependence of those alloys are discussed in the paper. },
        Author = {Joonho Lee and Wataru Shimoda and Toshihiro Tanaka},
        Date-Added = {2007-05-08 13:32:00 -0400},
        Date-Modified = {2007-05-08 13:32:14 -0400},
        Journal = {Measurement Science and Technology},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/mst5_2_015.pdf},
        Number = {2},
        Pages = {438-442},
        Title = {Temperature dependence of surface tension of liquid Sn\&ndash;Ag, In\&ndash;Ag and In\&ndash;Cu alloys},
        Url = {http://stacks.iop.org/0957-0233/16/438},
        Volume = {16},
        Year = {2005}}

@article{PhysRevLett.75.4043,
        Author = {Egry, Ivan and Lohoefer, Georg and Jacobs, Gerd},
        Date-Added = {2007-05-08 13:24:35 -0400},
        Date-Modified = {2007-05-08 13:24:35 -0400},
        Doi = {10.1103/PhysRevLett.75.4043},
        Journal = {Phys. Rev. Lett.},
        Month = {Nov},
        Number = {22},
        Numpages = {3},
        Pages = {4043-4046},
        Publisher = {American Physical Society},
        Title = {Surface Tension of Liquid Metals: Results from Measurements on Ground and in Space},
        Volume = {75},
        Year = {1995}}

@article{mendez-villuendas:185503,
        Author = {Eduardo Mendez-Villuendas and Richard K. Bowles},
        Date-Added = {2007-05-08 13:19:27 -0400},
        Date-Modified = {2007-05-08 13:19:42 -0400},
        Eid = {185503},
        Journal = {Phys. Rev. Lett.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/PhysRevLett_98_185503.pdf},
        Number = {18},
        Numpages = {4},
        Pages = {185503},
        Publisher = {APS},
        Title = {Surface Nucleation in the Freezing of Gold Nanoparticles},
        Url = {http://link.aps.org/abstract/PRL/v98/e185503},
        Volume = {98},
        Year = {2007}}

@misc{garai-2006,
        Author = {Jozsef Garai},
        Date-Added = {2007-05-08 13:13:26 -0400},
        Date-Modified = {2007-05-08 13:13:38 -0400},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Surf_tension_vap.pdf},
        Title = {Atomic Model for the Latent Heat of Vaporization},
        Url = {http://www.citebase.org/abstract?id=oai:arXiv.org:physics/0611289},
        Year = {2006}}

@article{garai:023514,
        Author = {J. Garai and A. Laugier},
        Date-Added = {2007-05-08 13:08:58 -0400},
        Date-Modified = {2007-05-08 13:09:20 -0400},
        Eid = {023514},
        Journal = {J. Appl. Phys.},
        Keywords = {elastic moduli; thermal expansion; silver; gold; magnesium compounds; alumina; iron compounds; calcium compounds; sodium compounds; potassium compounds; high-pressure effects},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/JApplPhys_101_023514.pdf},
        Number = {2},
        Numpages = {4},
        Pages = {023514},
        Publisher = {AIP},
        Title = {The temperature dependence of the isothermal bulk modulus at 1 bar pressure},
        Url = {http://link.aip.org/link/?JAP/101/023514/1},
        Volume = {101},
        Year = {2007}}

@article{PhysRevB.59.15990,
        Author = {Ruban, A. V. and Skriver, H. L. and N\o{}rskov, J. K.},
        Date-Added = {2007-05-07 11:33:33 -0400},
        Date-Modified = {2007-05-07 11:34:34 -0400},
        Doi = {10.1103/PhysRevB.59.15990},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/p15990_1.pdf},
        Month = {Jun},
        Number = {24},
        Numpages = {10},
        Pages = {15990-16000},
        Publisher = {American Physical Society},
        Title = {Surface segregation energies in transition-metal alloys},
        Volume = {59},
        Year = {1999}}

@article{Ramirez-Caballero:2006lr,
        Abstract = {Classical molecular dynamics (MD) simulations are used to investigate the effect of the nanocluster size on surface segregation phenomena of Pt alloys containing 10, 30, 50, 70 and 90{\%} Pd. Atomic distribution is examined in graphite-supported nanoclusters with approximate diameters of 2 and 4 nm, using a simulated annealing procedure with temperatures varying from 1200 down to 353 K. Following this annealing route, it is found that at concentrations of Pd below a certain threshold, Pt segregates to the surface, whereas Pd segregates to the surface when the overall concentration of Pd is above that threshold. Moreover, the threshold concentration depends on the size, being approximately 50{\%} for the 2 nm nanocluster and in the order of 60{\%} for the 4 nm nanocluster. It is also found that the percent of the surface enriched either in Pt or Pd at a given overall concentration, as well as the nature of the exposed crystallographic faces, depend significantly on the cluster size. Our studies suggest that surface segregation behavior in Pt{\^a}Pd supported nanoclusters is influenced by: differences in surface energies, interaction of the clusters with the substrate, and probably most importantly by the fabrication protocol. The implications of these issues on catalytic processes are discussed. ABSTRACT FROM AUTHOR Copyright of Molecular Simulation is the property of Taylor \& Francis Ltd and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts)},
        Author = {Ramirez Caballero, G. E. and Balbuena, P. B.},
        Date-Added = {2007-05-04 12:08:33 -0400},
        Date-Modified = {2007-05-17 16:14:32 -0400},
        Isbn = {08927022},
        Journal = {Mol. Sim.},
        Keywords = {ALLOYS; METALLIC composites; MOLECULAR dynamics; NANOPARTICLES; SURFACE chemistry; Molecular dynamics; Bimetallic particles},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Ramirez%20Caballero/2006.pdf},
        M3 = {Article},
        Number = {3/4},
        Pages = {297-303},
        Publisher = {Taylor \& Francis Ltd},
        Title = {Surface segregation phenomena in {P}t{P}d nanoparticles: dependence on nanocluster size.},
        Url = {http://search.ebscohost.com/login.aspx?direct=true&db=aph&AN=21894920&site=ehost-live},
        Volume = {32},
        Year = {2006}}

@article{sankaranarayanan:155441,
        Author = {Subramanian K. R. S. Sankaranarayanan and Venkat R. Bhethanabotla and Babu Joseph},
        Date-Added = {2007-05-04 12:01:22 -0400},
        Date-Modified = {2007-05-04 12:01:28 -0400},
        Eid = {155441},
        Journal = {Phys. Rev. B},
        Keywords = {molecular dynamics method; melting; platinum alloys; palladium alloys; nanowires; surface segregation; specific heat; diffusion; surface structure; solid-state phase transformations; thermal stability; annealing},
        Local-Url = {file://localhost/Users/charles/Desktop/Papers/PhysRevB_74_155441.pdf},
        Number = {15},
        Numpages = {12},
        Pages = {155441},
        Publisher = {APS},
        Title = {Molecular dynamics simulation study of the melting and structural evolution of bimetallic Pd-Pt nanowires},
        Url = {http://link.aps.org/abstract/PRB/v74/e155441},
        Volume = {74},
        Year = {2006}}

@article{RuuskaH._jp031022l,
        Affiliation = {Department of Chemical Engineering, Brigham Young University, Provo, Utah 84602},
        Author = {Ruuska, H. and Pakkanen, T.A. and Rowley, R.L.},
        Date-Added = {2007-05-01 18:24:50 -0400},
        Date-Modified = {2007-05-01 18:25:03 -0400},
        Issn = {1520-6106},
        Journal = {J. Phys. Chem. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/jp031022l.pdf},
        Number = {8},
        Pages = {2614-2619},
        Title = {MP2 Study on Water Adsorption on Cluster Models of Cu(111)},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp031022l},
        Volume = {108},
        Year = {2004}}

@book{Goldberg1989,
        Address = {Boston, MA, USA},
        Author = {David E. Goldberg},
        Date-Added = {2007-04-26 16:43:54 -0400},
        Date-Modified = {2007-04-26 16:44:19 -0400},
        Isbn = {0201157675},
        Publisher = {Addison-Wesley Longman Publishing Co., Inc.},
        Title = {Genetic Algorithms in Search, Optimization and Machine Learning},
        Year = {1989}}

@article{fennell:9175,
        Author = {Christopher J. Fennell and J. Daniel Gezelter},
        Date-Added = {2007-04-26 16:40:20 -0400},
        Date-Modified = {2007-04-26 16:40:53 -0400},
        Journal = {J. Chem. Phys.},
        Keywords = {molecular dynamics method; self-diffusion; ice; water; supercooling; liquid structure; liquid theory},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_120_9175.pdf},
        Number = {19},
        Pages = {9175-9184},
        Publisher = {AIP},
        Title = {On the structural and transport properties of the soft sticky dipole and related single-point water models},
        Url = {http://link.aip.org/link/?JCP/120/9175/1},
        Volume = {120},
        Year = {2004}}

@article{LiuY._jp952324t,
        Affiliation = {Departments of Biochemistry and Biophysics and of Chemistry, Washington State University, Pullman, Washington 99164-4660},
        Author = {Liu, Y. and Ichiye, T.},
        Date-Added = {2007-04-26 16:38:23 -0400},
        Date-Modified = {2007-04-26 16:38:54 -0400},
        Issn = {0022-3654},
        Journal = {J. Phys. Chem.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/jp952324t.pdf},
        Number = {7},
        Pages = {2723-2730},
        Title = {Soft Sticky Dipole Potential for Liquid Water: A New Model},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp952324t},
        Volume = {100},
        Year = {1996}}

@article{PhysRevB.33.7983,
        Author = {Foiles, S. M. and Baskes, M. I. and Daw, M. S.},
        Date-Added = {2007-04-24 19:12:57 -0400},
        Date-Modified = {2007-04-24 19:14:30 -0400},
        Doi = {10.1103/PhysRevB.33.7983},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/p7983_1.pdf},
        Month = {Jun},
        Number = {12},
        Numpages = {8},
        Pages = {7983-7991},
        Publisher = {American Physical Society},
        Title = {Embedded-atom-method functions for the fcc metals {C}u, {A}g, {A}u, {N}i, {P}d, {P}t, and their alloys},
        Volume = {33},
        Year = {1986}}

@url{Center:uq,
        Author = {http://www.qhull.org},
        Date-Added = {2007-04-24 18:04:23 -0400},
        Date-Modified = {2007-04-24 18:06:31 -0400},
        Title = {QHull},
        Url = {http://www.qhull.org},
        Urldate = {2007}}

@article{barber96quickhull,
        Author = {C. Bradford Barber and David P. Dobkin and Hannu Huhdanpaa},
        Date-Added = {2007-04-24 18:03:53 -0400},
        Date-Modified = {2007-04-24 18:03:53 -0400},
        Journal = {ACM Transactions on Mathematical Software},
        Number = {4},
        Pages = {469-483},
        Title = {The Quickhull Algorithm for Convex Hulls},
        Url = {citeseer.ist.psu.edu/article/barber95quickhull.html},
        Volume = {22},
        Year = {1996}}

@article{II:2007fk,
        Author = {Charles ~F. {Vardeman II} and J. Daniel Gezelter},
        Date-Added = {2007-04-24 17:54:43 -0400},
        Date-Modified = {2007-04-24 17:57:35 -0400},
        Journal = {In Preperation},
        Year = {2007}}

@article{HartlandG.V._jp0276092,
        Affiliation = {Department of Mathematics and Statistics, The University of Melbourne, Victoria 3010, Australia},
        Author = {Hartland, G.V. and Hu, M. and Sader, J.E.},
        Date-Added = {2007-04-24 17:45:57 -0400},
        Date-Modified = {2007-04-24 17:46:53 -0400},
        Issn = {1520-6106},
        Journal = {J. Phys. Chem. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/jp0276092.pdf},
        Number = {30},
        Pages = {7472-7478},
        Title = {Softening of the Symmetric Breathing Mode in Gold Particles by Laser-Induced Heating},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp0276092},
        Volume = {107},
        Year = {2003}}

@book{Tu:1992uq,
        Author = {K. N. Tu and J. W. Mayer},
        Date-Added = {2007-04-24 17:27:23 -0400},
        Date-Modified = {2007-04-24 17:29:08 -0400},
        Publisher = {Macmillian: New York},
        Title = {Electronic Thin Film Science},
        Year = {1992}}

@article{Williams:1970fk,
        Author = {Graham Williams and David C. Watts},
        Date-Added = {2007-04-24 17:02:39 -0400},
        Date-Modified = {2007-04-24 17:50:10 -0400},
        Journal = {Trans. Faraday Soc.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/KWW%20paper.pdf},
        Pages = {80-85},
        Title = {Non-symmeric dielectric relaxation behaviour arising from a simple empirical decay function},
        Volume = {66},
        Year = {1970}}

@article{kumar:204508,
        Author = {V. Senthil Kumar and V. Kumaran},
        Date-Added = {2007-02-21 15:46:43 -0500},
        Date-Modified = {2007-02-21 15:47:50 -0500},
        Eid = {204508},
        Journal = {J. Chem. Phys.},
        Keywords = {freezing; nucleation; phase equilibrium; stacking faults},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Kumar/2006.pdf},
        Number = {20},
        Numpages = {11},
        Pages = {204508},
        Publisher = {AIP},
        Title = {Bond-orientational analysis of hard-disk and hard-sphere structures},
        Url = {http://link.aip.org/link/?JCP/124/204508/1},
        Volume = {124},
        Year = {2006}}

@article{http://dx.doi.org/10.1039/b312640b,
        Abstract = {We explore, with the use of extensive molecular dynamics simulations, several principal issues pertaining to the energetics of formation of superlattices made through the assembly of passivated nanoclusters, the interactions that underlie the cohesion of such superlattices, and the unique mechanical, thermal and structural properties that they exhibit. Our investigations focus on assemblies made of crystalline gold nanoclusters of variable sizes, passivated by monolayers of alkylthiol molecules. An analytic optimal packing model that correlates in a unified manner several structural characteristics of three-dimensional superlattice assemblies is developed. The model successfully organizes and systematizes a large amount of experimental and simulation data, and it predicts the phase-boundary between different superlattice structural motifs that evolve as a function of the ratio between the chain-length of the extended passivating molecules and the radius of the underlying gold nanocluster. The entropic contribution to the formation free energy of the superlattice assembly is found to be large and of similar magnitude as the potential energy component of the free energy. The major contribution to the cohesive potential energy of the superlattice is shown to originate from van der Waals interactions between molecules that passivate neighboring nanoclusters. The unique mechanical, thermal, thermomechanical, and thermostructural properties of passivated nanocluster assemblies, are discussed.},
        Author = {Uzi Landman and W. D. Luedtke},
        Date-Added = {2007-02-20 19:42:37 -0500},
        Date-Modified = {2007-02-20 19:43:02 -0500},
        Doi = {10.1039/b312640b},
        Journal = {Faraday Discussions},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Landman/2004.pdf},
        Pages = {1-22},
        Title = {Small is different: energetic, structural, thermal, and mechanical properties of passivated nanocluster assemblies},
        Url = {http://dx.doi.org/10.1039/b312640b},
        Volume = {125},
        Year = {2004}}

@article{PhysRevLett.89.275502,
        Author = {Nam, H.-S. and Hwang, Nong M. and Yu, B. D. and Yoon, J.-K.},
        Date-Added = {2007-02-20 19:13:35 -0500},
        Date-Modified = {2007-02-20 19:13:56 -0500},
        Doi = {10.1103/PhysRevLett.89.275502},
        Journal = {Phys. Rev. Lett.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Nam/2002.pdf},
        Month = {Dec},
        Number = {27},
        Numpages = {4},
        Pages = {275502},
        Publisher = {American Physical Society},
        Title = {Formation of an Icosahedral Structure during the Freezing of Gold Nanoclusters: Surface-Induced Mechanism},
        Volume = {89},
        Year = {2002}}

@article{LarsonI._la970029p,
        Affiliation = {Advanced Mineral Products Special Research Centre, University of Melbourne, Parkville, Victoria 3052, Australia, and CSIRO Division of Chemicals and Polymers, Private Bag 10, Rosebank MDC, Clayton, Victoria 3169, Australia},
        Author = {Larson, I. and Chan, D.Y.C. and Drummond, C.J. and Grieser, F.},
        Date-Added = {2007-02-20 19:05:40 -0500},
        Date-Modified = {2007-02-20 19:05:47 -0500},
        Issn = {0743-7463},
        Journal = {Langmuir},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Larson/1997.pdf},
        Number = {9},
        Pages = {2429-2431},
        Title = {Use of Atomic Force Microscopy Force Measurements To Monitor Citrate Displacement by Amines on Gold in Aqueous Solution},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/la970029p},
        Volume = {13},
        Year = {1997}}

@article{PillaiZ.S._jp037018r,
        Affiliation = {Notre Dame Radiation Laboratory, Notre Dame, Indiana 46556-0579},
        Author = {Pillai, Z.S. and Kamat, P.V.},
        Date-Added = {2007-02-20 18:59:05 -0500},
        Date-Modified = {2007-02-20 18:59:19 -0500},
        Issn = {1520-6106},
        Journal = {J. Phys. Chem. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Pillai/2004.pdf},
        Number = {3},
        Pages = {945-951},
        Title = {What Factors Control the Size and Shape of Silver Nanoparticles in the Citrate Ion Reduction Method?},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp037018r},
        Volume = {108},
        Year = {2004}}

@article{HengleinA._la981278w,
        Affiliation = {Notre Dame Radiation Laboratory and Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556-0579},
        Author = {Henglein, A. and Meisel, D.},
        Date-Added = {2007-02-20 18:35:29 -0500},
        Date-Modified = {2007-02-20 18:35:49 -0500},
        Issn = {0743-7463},
        Journal = {Langmuir},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Henglein/1998.pdf},
        Number = {26},
        Pages = {7392-7396},
        Title = {Radiolytic Control of the Size of Colloidal Gold Nanoparticles},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/la981278w},
        Volume = {14},
        Year = {1998}}

@article{PhysRevE.56.4135,
        Author = {Bertolini, Davide and Tani, Alessandro},
        Date-Added = {2007-02-16 15:30:56 -0500},
        Date-Modified = {2007-02-16 15:31:04 -0500},
        Doi = {10.1103/PhysRevE.56.4135},
        Journal = {Phys. Rev. E},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Bertolini/1997.pdf},
        Month = {Oct},
        Number = {4},
        Numpages = {16},
        Pages = {4135-4151},
        Publisher = {American Physical Society},
        Title = {Thermal conductivity of water: Molecular dynamics and generalized hydrodynamics results},
        Volume = {56},
        Year = {1997}}

@article{Tokumasu:2004lr,
        Abstract = {The thermal conductivity of diatomic liquids was analyzed using a nonequilibrium molecular dynamics (NEMD) method. Five liquids, namely, O2, CO, CS2, Cl2 and Br2, were assumed. The two-center Lennard-Jones (2CLJ) model was used to express the intermolecular potential acting on liquid molecules. First, the equation of state of each liquid was obtained using MD simulation, and the critical temperature, density and pressure of each liquid were determined. Heat conduction of each liquid at various liquid states {$[$}metastable ({$[$}rho{$]$}=1.9{$[$}rho{$]$}cr), saturated ({$[$}rho{$]$}=2.1{$[$}rho{$]$}cr), and stable ({$[$}rho{$]$}=2.3{$[$}rho{$]$}cr){$]$} at T=0.7Tcr was simulated and the thermal conductivity was estimated. These values were compared with experimental results and it was confirmed that the simulated results were consistent with the experimental data within 10{\%}. Obtained thermal conductivities at saturated state were reduced by the critical temperature, density and mass of molecules and these values were compared with each other. It was found that the reduced thermal conductivity increased with the increase in the molecular elongation. Detailed analysis of the molecular contribution to the thermal conductivity revealed that the contribution of the heat flux caused by energy transport and by translational energy transfer to the thermal conductivity is independent of the molecular elongation while the contribution of the heat flux caused by rotational energy transfer to the thermal conductivity increases with the increase in the molecular elongation. Moreover, by comparing the reduced thermal conductivity at various states, it was found that the increase of thermal conductivity with the increase in the density, or pressure, was caused by the increase of the contribution of energy transfer due to molecular interaction.},
        Author = {Tokumasu, Takashi and Kamijo, Kenjiro},
        Date-Added = {2007-02-16 15:23:00 -0500},
        Date-Modified = {2007-02-16 15:24:21 -0500},
        Journal = {Superlattices and Microstructures},
        Keywords = {Thermal conductivity; Nonequilibrium molecular dynamics; Diatomic liquid; Molecular elongation; Critical point},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Tokumasu/2004.pdf},
        Number = {3-6},
        Pages = {217-225},
        Title = {Molecular dynamics study for the thermal conductivity of diatomic liquid; Eurotherm 75 'Microscale Heat Transfer 2'},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6WXB-4CDJD1N-4/2/069b3dce0464dd2de1e61d14079e19d4},
        Volume = {35},
        Year = {2004}}

@article{VardemanC.F._jp051575r,
        Affiliation = {Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556},
        Author = {Vardeman, C.F. and Conforti, P.F. and Sprague, M.M. and Gezelter, J.D.},
        Date-Added = {2007-02-14 17:29:20 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Issn = {1520-6106},
        Journal = {J. Phys. Chem. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Vardeman/2005.pdf},
        Number = {35},
        Pages = {16695-16699},
        Title = {Breathing Mode Dynamics and Elastic Properties of Gold Nanoparticles},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp051575r},
        Volume = {109},
        Year = {2005}}

@article{PhysRevB.59.3527,
        Author = {Qi, Yue and \c{C}a\v{g}in, Tahir and Kimura, Yoshitaka and {Goddard III}, William A.},
        Date-Added = {2007-02-09 18:34:34 -0500},
        Date-Modified = {2007-05-16 15:04:34 -0400},
        Doi = {10.1103/PhysRevB.59.3527},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Qi/1999.pdf},
        Month = {Feb},
        Number = {5},
        Numpages = {6},
        Pages = {3527-3533},
        Publisher = {American Physical Society},
        Title = {Molecular-dynamics simulations of glass formation and crystallization in binary liquid metals:\quad{}{C}u-{A}g and {C}u-{N}i},
        Volume = {59},
        Year = {1999}}

@article{bhowmick:164513,
        Author = {Somnath Bhowmick and Vijay B. Shenoy},
        Date-Added = {2007-02-09 18:16:54 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {164513},
        Journal = {J. Chem. Phys.},
        Keywords = {stress effects; thermal conductivity; molecular dynamics method},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Bhowmick/2006.pdf},
        Number = {16},
        Numpages = {6},
        Pages = {164513},
        Publisher = {AIP},
        Title = {Effect of strain on the thermal conductivity of solids},
        Url = {http://link.aip.org/link/?JCP/125/164513/1},
        Volume = {125},
        Year = {2006}}

@article{che:6888,
        Author = {Jianwei Che and Tahir Cagin and Weiqiao Deng and William A. Goddard III},
        Date-Added = {2007-02-09 18:02:08 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Chem. Phys.},
        Keywords = {diamond; thermal conductivity; digital simulation; vacancies (crystal); Green's function methods; isotope effects},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Che/2000.pdf},
        Number = {16},
        Pages = {6888-6900},
        Publisher = {AIP},
        Title = {Thermal conductivity of diamond and related materials from molecular dynamics simulations},
        Url = {http://link.aip.org/link/?JCP/113/6888/1},
        Volume = {113},
        Year = {2000}}

@article{Kob:1999fk,
        Abstract = {After a brief introduction to the dynamics of supercooled liquids, we discuss some of the advantages and drawbacks of computer simulations of such systems. Subsequently we present the results of computer simulations in which the dynamics of a fragile glass former, a binary Lennard-Jones system, is compared to that of a strong glass former, SiO$_{2}$. This comparison gives evidence that the reason for the different temperature dependences of these two types of glass former lies in the transport mechanism for the particles in the vicinity of T$_{c}$, the critical temperature of mode-coupling theory. Whereas that for the fragile glass former is described very well by the ideal version of mode-coupling theory, that for the strong glass former is dominated by activated processes. In the last part of the article we review some simulations of glass formers in which the dynamics below the glass transition temperature was investigated. We show that such simulations might help to establish a connection between systems with self-generated disorder (e.g. structural glasses) and quenched disorder (e.g. spin glasses). },
        Author = {Walter Kob},
        Date-Added = {2007-02-07 14:13:30 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Phys.: Condens. Matter},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Kob/1999.pdf},
        Number = {10},
        Pages = {R85-R115},
        Title = {Computer simulations of supercooled liquids and glasses},
        Url = {http://stacks.iop.org/0953-8984/11/R85},
        Volume = {11},
        Year = {1999}}

@article{PhysRevB.61.5771,
        Author = {Soler, Jos\'e M. and Beltr\'an, Marcela R. and Michaelian, Karo and Garz\'on, Ignacio L. and Ordej\'on, Pablo and S\'anchez-Portal, Daniel and Artacho, Emilio},
        Date-Added = {2007-02-05 16:34:03 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Doi = {10.1103/PhysRevB.61.5771},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Soler/2000.pdf},
        Month = {Feb},
        Number = {8},
        Numpages = {9},
        Pages = {5771-5780},
        Publisher = {American Physical Society},
        Title = {Metallic bonding and cluster structure},
        Volume = {61},
        Year = {2000}}

@article{0953-8984-14-26-101,
        Abstract = {We present a new method for constant-pressure molecular dynamics simulation which is parameter free. This method is especially appropriate for finite systems in which a periodic boundary condition does not apply. Simulations on carbon nanotubes and Ni nanoparticles clearly demonstrate the validity of the method, from which we can also easily obtain the equations of states for a finite system under external pressure. },
        Author = {D Y Sun and X G Gong},
        Date-Added = {2007-02-05 16:29:44 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Phys.: Condens. Matter},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Sun/2002.pdf},
        Number = {26},
        Pages = {L487-L493},
        Title = {A new constant-pressure molecular dynamics method for finite systems},
        Url = {http://stacks.iop.org/0953-8984/14/L487},
        Volume = {14},
        Year = {2002}}

@article{luo:145502,
        Author = {W. K. Luo and H. W. Sheng and F. M. Alamgir and J. M. Bai and J. H. He and E. Ma},
        Date-Added = {2007-01-08 14:00:22 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {145502},
        Journal = {Phys. Rev. Lett.},
        Keywords = {silver alloys; nickel alloys; noncrystalline structure; quasicrystals; EXAFS; XANES; Monte Carlo methods},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Luo/2004.pdf},
        Number = {14},
        Numpages = {4},
        Pages = {145502},
        Publisher = {APS},
        Title = {Icosahedral Short-Range Order in Amorphous Alloys},
        Url = {http://link.aps.org/abstract/PRL/v92/e145502},
        Volume = {92},
        Year = {2004}}

@article{HuangS.-P._jp0204206,
        Affiliation = {Department of Chemical Engineering, University of South Carolina, Columbia, South Carolina 29208},
        Author = {Huang, S.-P. and Balbuena, P.B.},
        Date-Added = {2007-01-08 12:42:05 -0500},
        Date-Modified = {2007-05-07 17:19:56 -0400},
        Issn = {1520-6106},
        Journal = {J. Phys. Chem. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Huang/2002.pdf},
        Number = {29},
        Pages = {7225-7236},
        Title = {Melting of Bimetallic {C}u-{N}i Nanoclusters},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp0204206},
        Volume = {106},
        Year = {2002}}

@article{Ju:2005qy,
        Address = {National Center for High-Performance Computing, No. 21, Nan-Ke 3rd Road, Hsin-Shi, Tainan, Taiwan, Republic of China},
        Author = {Ju, S. -P. and Lo, Y. -C. and Sun, S. -J. and Chang, J. -G.},
        Date-Added = {2007-01-03 18:29:53 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Isbn = {1520-6106},
        Ja = {J. Phys. Chem. B},
        Jo = {Journal of Physical Chemistry B},
        Journal = {J. Phys. Chem. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Ju/2005.pdf},
        Number = {44},
        Pages = {20805-20809},
        Title = {Investigation on the Structural Variation of Co-Cu Nanoparticles during the Annealing Process},
        Ty = {JOUR},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp052803k},
        Volume = {109},
        Year = {2005}}

@article{luo:131927,
        Author = {W. K. Luo and H. W. Sheng and E. Ma},
        Date-Added = {2007-01-03 18:15:55 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {131927},
        Journal = {Applied Physics Letters},
        Keywords = {molecular dynamics method; amorphous state; alloys},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Luo/2006.pdf},
        Number = {13},
        Numpages = {3},
        Pages = {131927},
        Publisher = {AIP},
        Title = {Pair correlation functions and structural building schemes in amorphous alloys},
        Url = {http://link.aip.org/link/?APL/89/131927/1},
        Volume = {89},
        Year = {2006}}

@article{PhysRevLett.89.075507,
        Author = {Schenk, T. and Holland-Moritz, D. and Simonet, V. and Bellissent, R. and Herlach, D. M.},
        Date-Added = {2007-01-03 18:07:34 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Doi = {10.1103/PhysRevLett.89.075507},
        Journal = {Phys. Rev. Lett.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Schenk/2002.pdf},
        Month = {Jul},
        Number = {7},
        Numpages = {4},
        Pages = {075507},
        Publisher = {American Physical Society},
        Title = {Icosahedral Short-Range Order in Deeply Undercooled Metallic Melts},
        Volume = {89},
        Year = {2002}}

@article{Ma:2005fk,
        Abstract = {The development and understanding of alloys is one of the most important themes of physical metallurgy. Over the past four decades, the progress in modern processing techniques has enabled researchers to artificially create an increasing number of new alloys in systems that are immiscible in thermodynamic equilibrium. This possibility of alloying elements between which no alloys exist in nature offers exciting opportunities for many physics, chemistry, and materials science endeavors. One of the obvious questions that needs to be answered is exactly what kind of alloys have been, and can be, obtained in these systems with positive heat of mixing, in terms of the uniformity, the presence of short-to-medium range chemical and topological order/clustering, and the energy state of the new alloy phases. This issue was not adequately addressed before because, until recent years, simple diffraction measurements constituted the main method for the characterization of the alloys produced. In this article, we survey the alloys created in binary systems with positive heat of mixing. Our emphasis is on a systematic examination of the atomic-level structure, and calorimetric determination of the positive enthalpy of mixing, of several model binary alloys created between immiscible elements, covering both amorphous and crystalline solid solutions. Vapor-deposited alloys will be our primary focus, but alloys prepared via other processing routes or modeled in computer simulations will also be discussed. The experimental characterization results recently obtained using local environment probes will be reviewed, together with the insight gained through computer atomistic simulations. The local structures uncovered will be correlated directly with the thermodynamic properties. A full account of the thermodynamic and kinetic aspects of the phase selection and the details of the transformation mechanisms involved, on the other hand, is a much broader subject to be dealt with in a separate review.},
        Author = {Ma, E.},
        Date-Added = {2007-01-03 18:04:41 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Prog. Mater Sci.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Ma/2005a.pdf},
        Number = {4},
        Pages = {413-509},
        Title = {Alloys created between immiscible elements},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TX1-4DDXN29-1/2/c79892bfea1714067d887cb627ada223},
        Volume = {50},
        Year = {2005}}

@article{2003RvMP...75..237F,
        Adsnote = {Provided by the Smithsonian/NASA Astrophysics Data System},
        Adsurl = {http://adsabs.harvard.edu/cgi-bin/nph-bib_query?bibcode=2003RvMP...75..237F&db_key=PHY},
        Author = {{Faupel}, F. and {Frank}, W. and {Macht}, M.-P. and {Mehrer}, H. and {Naundorf}, V. and {R{\"a}tzke}, K. and {Schober}, H.~R. and {Sharma}, S.~K. and {Teichler}, H.},
        Date-Added = {2007-01-03 17:57:24 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Doi = {10.1103/RevModPhys.75.237},
        Journal = {Reviews of Modern Physics},
        Month = feb,
        Pages = {237-280},
        Title = {{Diffusion in metallic glasses and supercooled melts}},
        Volume = 75,
        Year = 2003}

@article{KLEMENT:1960lr,
        Annote = {10.1038/187869b0},
        Author = {KLEMENT, W. , and WILLENS, R. H. and DUWEZ, POL},
        Date-Added = {2007-01-03 17:55:00 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Nature},
        M3 = {10.1038/187869b0},
        Number = {4740},
        Pages = {869-870},
        Title = {Non-crystalline Structure in Solidified Gold-Silicon Alloys},
        Ty = {JOUR},
        Url = {http://dx.doi.org/10.1038/187869b0},
        Volume = {187},
        Year = {1960}}

@article{Buffat:1976yq,
        Author = {Ph. Buffat and J-P. Borel},
        Date-Added = {2007-01-03 17:50:30 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Phys. Rev. A},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Buffat/1976.pdf},
        Pages = {2287-2298},
        Title = {Size effect on the melting temperature of gold particles},
        Volume = {13},
        Year = {1976}}

@article{De:1996ta,
        Author = {G. De and M. Gusso and L. Tapfer and M. Catalano and F. Gonella and G. Mattei and P. Mazzoldi and G. Battaglin},
        Date-Added = {2007-01-03 17:50:04 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Appl. Phys.},
        Keywords = {COMPOSITE MATERIALS; SILVER; COPPER; SOLID CLUSTERS; SOL&#150;GEL PROCESS; THIN FILMS; SILICA; ABSORPTION SPECTRA; RBS; XRD; TEM},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/De/1996a.pdf},
        Number = {12},
        Pages = {6734-6739},
        Publisher = {AIP},
        Title = {Annealing behavior of silver, copper, and silver--copper nanoclusters in a silica matrix synthesized by the sol-gel technique},
        Url = {http://link.aip.org/link/?JAP/80/6734/1},
        Volume = {80},
        Year = {1996}}

@article{Mazzone:1997pe,
        Author = {G Mazzone and V Rosato},
        Date-Added = {2007-01-03 17:49:53 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Mazzone/1997.pdf},
        Number = {2},
        Pages = {837-842},
        Title = {Molecular-dynamics calculations of thermodynamics properties of metastable alloys},
        Volume = {55},
        Year = {1997}}

@article{Sheng:2002jo,
        Author = {Sheng, H. W. and Wilde, G. and Ma, E.},
        Date-Added = {2007-01-03 17:48:54 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Acta Mater.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Sheng/2002a.pdf},
        Number = {3},
        Pages = {475-488},
        Title = {The competing crystalline and amorphous solid solutions in the Ag-Cu system},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TW8-44W338F-3/2/3749f32cf6b1a4f8ebea936d508c9f87},
        Volume = {50},
        Year = {2002}}

@article{najafabadi:3144,
        Author = {R. Najafabadi and D. J. Srolovitz and E. Ma and M. Atzmon},
        Date-Added = {2007-01-03 17:48:54 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Appl. Phys.},
        Keywords = {SILVER ALLOYS; COPPER ALLOYS; THERMODYNAMIC PROPERTIES; PHASE DIAGRAMS; COMPUTERIZED SIMULATION; CALORIMETRY; BINARY ALLOY SYSTEMS; FORMATION FREE ENTHALPY; LATTICE PARAMETERS; METASTABLE PHASES},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Najafabadi/1993.pdf},
        Number = {5},
        Pages = {3144-3149},
        Publisher = {AIP},
        Title = {Thermodynamic properties of metastable Ag-Cu alloys},
        Url = {http://link.aip.org/link/?JAP/74/3144/1},
        Volume = {74},
        Year = {1993}}

@article{duwez:1136,
        Author = {Pol Duwez and R. H. Willens and W. Klement and Jr},
        Date-Added = {2007-01-03 17:48:02 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Appl. Phys.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Duwez/1960.pdf},
        Number = {6},
        Pages = {1136-1137},
        Publisher = {AIP},
        Title = {Continuous Series of Metastable Solid Solutions in Silver-Copper Alloys},
        Url = {http://link.aip.org/link/?JAP/31/1136/2},
        Volume = {31},
        Year = {1960}}

@article{Banhart:1992sv,
        Author = {J Banhart and H Ebert and R Kuentzler and J Voitl\"{a}nder},
        Date-Added = {2007-01-03 17:48:02 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Banhart/1992.pdf},
        Number = {16},
        Pages = {9968-9975},
        Title = {Electronic properties of single-phased metastable Ag-Cu alloys},
        Volume = {46},
        Year = {1992}}

@article{PhysRevB.67.155409,
        Author = {Gaudry, M. and Cottancin, E. and Pellarin, M. and Lerm\'e, J. and Arnaud, L. and Huntzinger, J. R. and Vialle, J. L. and Broyer, M. and Rousset, J. L. and Treilleux, M. and M\'elinon, P.},
        Date-Added = {2007-01-03 12:01:53 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Doi = {10.1103/PhysRevB.67.155409},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Gaudry/2003.pdf},
        Month = {Apr},
        Number = {15},
        Numpages = {10},
        Pages = {155409},
        Publisher = {American Physical Society},
        Title = {Size and composition dependence in the optical properties of mixed (transition metal/noble metal) embedded clusters},
        Volume = {67},
        Year = {2003}}

@article{rapallo:194308,
        Author = {Arnaldo Rapallo and Giulia Rossi and Riccardo Ferrando and Alessandro Fortunelli and Benjamin C. Curley and Lesley D. Lloyd and Gary M. Tarbuck and Roy L. Johnston},
        Date-Added = {2006-12-30 15:20:37 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {194308},
        Journal = {J. Chem. Phys.},
        Keywords = {genetic algorithms; metal clusters; nanostructured materials; surface segregation; surface composition; optimisation; silver alloys; copper alloys; gold alloys; nickel alloys; chemical analysis},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Rapallo/2005.pdf},
        Number = {19},
        Numpages = {13},
        Pages = {194308},
        Publisher = {AIP},
        Title = {Global optimization of bimetallic cluster structures. I. Size-mismatched Ag--Cu, Ag--Ni, and Au--Cu systems},
        Url = {http://link.aip.org/link/?JCP/122/194308/1},
        Volume = {122},
        Year = {2005}}

@article{cheng:064117,
        Author = {Daojian Cheng and Shiping Huang and Wenchuan Wang},
        Date-Added = {2006-12-30 15:19:11 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {064117},
        Journal = {Phys. Rev. B},
        Keywords = {copper alloys; gold alloys; metal clusters; melting; melting point; Monte Carlo methods; tight-binding calculations; specific heat; bond lengths; fluctuations; deformation; doping; surface segregation},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Cheng/2006.pdf},
        Number = {6},
        Numpages = {11},
        Pages = {064117},
        Publisher = {APS},
        Title = {Thermal behavior of core-shell and three-shell layered clusters: Melting of Cu[sub 1]Au[sub 54] and Cu[sub 12]Au[sub 43]},
        Url = {http://link.aps.org/abstract/PRB/v74/e064117},
        Volume = {74},
        Year = {2006}}

@article{rossi:105503,
        Author = {G. Rossi and A. Rapallo and C. Mottet and A. Fortunelli and F. Baletto and R. Ferrando},
        Date-Added = {2006-12-30 15:12:42 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {105503},
        Journal = {Phys. Rev. Lett.},
        Keywords = {metal clusters; nanoparticles; genetic algorithms; density functional theory; molecular dynamics method; potential energy functions; thermal stability; silver; nickel; copper; melting point; energy gap},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Rossi/2004.pdf},
        Number = {10},
        Numpages = {4},
        Pages = {105503},
        Publisher = {APS},
        Title = {Magic Polyicosahedral Core-Shell Clusters},
        Url = {http://link.aps.org/abstract/PRL/v93/e105503},
        Volume = {93},
        Year = {2004}}

@article{Hu:2005lr,
        Author = {Wangyu Hu and Shifang Xiao and Jianyu Yang and Zhi Zhang},
        Date-Added = {2006-12-30 15:06:16 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {The European Physical Journal B - Condensed Matter and Complex Systems},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Hu/2005.pdf},
        M3 = {10.1140/epjb/e2005-00210-8},
        Number = {4},
        Pages = {547--554},
        Title = {Melting evolution and diffusion behavior of vanadium nanoparticles},
        Ty = {JOUR},
        Url = {http://dx.doi.org/10.1140/epjb/e2005-00210-8},
        Volume = {V45},
        Year = {2005}}

@article{calvo:125414,
        Author = {F. Calvo and J. P. K. Doye},
        Date-Added = {2006-12-27 11:36:45 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {125414},
        Journal = {Phys. Rev. B},
        Keywords = {metal clusters; nanostructured materials; phase diagrams; free energy; high-pressure effects},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Calvo/2004.pdf},
        Number = {12},
        Numpages = {6},
        Pages = {125414},
        Publisher = {APS},
        Title = {Pressure effects on the structure of nanoclusters},
        Url = {http://link.aps.org/abstract/PRB/v69/e125414},
        Volume = {69},
        Year = {2004}}

@article{Baltazar:2006lr,
        Abstract = {A compilation and an implementation of different methodologies to simulate NPT ensembles on finite systems is presented. In general, the methods discussed can be classified in two different groups depending on how the external pressure is applied to the system. The first approach is based on including the pressure with its conjugate thermodynamical variable, the volume, in the Lagrangian of the system. For this group four different volume definitions were considered and we assess their validity by studying the structural properties of small systems as function of pressure. In particular, we focus on the stability of the C60 molecule as well as the amorphization process of a diamond-like cluster under pressure. In the second group, the finite system (C60) is embedded in a classical fluid which serves as a pressure reservoir. We take the latter method as reference because it is closest to the experimental situation. The difficulties and the regimes where these methods can be used are also discussed.},
        Author = {Baltazar, S. E. and Romero, A. H. and Rodriguez-Lopez, J. L. and Terrones, H. and Martonak, R.},
        Date-Added = {2006-12-14 16:25:59 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Computational Materials Science},
        Keywords = {High pressures, Finite systems, Volume, Molecular dynamics},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Baltazar/2006a.pdf},
        Number = {4},
        Pages = {526--536},
        Title = {Assessment of isobaric-isothermal (NPT) simulations for finite systems},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TWM-4J72YTH-1/2/47e99bb33e4cf899d96bcf83966fc4be},
        Volume = {37},
        Year = {2006}}

@article{Kohanoff:2005,
        Author = {Kohanoff, J and Caro, A and Finnis, MW},
        Date = {SEP 5},
        Date-Added = {2006-12-14 16:21:21 -0500},
        Date-Modified = {2007-04-23 13:17:24 -0400},
        Journal = CHEMPHYSCHEM,
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Kohanoff/2005.pdf},
        Number = 9,
        Pages = {1848 - 1852},
        Title = {An isothermal-isobaric Langevin thermostat for simulating nanoparticles under pressure: Application to {A}u clusters},
        Volume = 6,
        Year = 2005}

@article{0953-8984-18-39-037,
        Abstract = {We report a classical molecular dynamics isothermal\&ndash;isobaric ensemble ( NPT ) implementation for the simulation of pressure effects on finite systems. The method is based on calculating the enclosed surface area by means of the Delauney triangulation method, which results in a fairly accurate description of the surface and the system volume. The external pressure is applied to the system by external forces acting on the triangulated surface covering the nanostructure. Pressure is exerted perpendicularly to every one of the Delauney triangles, by equally distributing the force to every corner of a triangle. We applied the method to finite single wall capped carbon nanotubes (SWCNTs) with different chiralities and different tube lengths ranging from 4~nm up to 30~nm. Pressure effects are studied as a function of the radii and the nanotube length, as well as as a function of temperature. Our results are in very good agreement when compared with both experimental and other theoretical results. },
        Author = {S E Baltazar and A H Romero and J L Rodr\'{i}guez-L\'{o}pez and R Marto\&ncaron;\'{a}k},
        Date-Added = {2006-12-14 15:23:48 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Phys.: Condens. Matter},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Baltazar/2006.pdf},
        Number = {39},
        Pages = {9119-9128},
        Title = {Finite single wall capped carbon nanotubes under hydrostatic pressure},
        Url = {http://stacks.iop.org/0953-8984/18/9119},
        Volume = {18},
        Year = {2006}}

@article{PhysRevB.63.193412,
        Author = {Sun, D. Y. and Gong, X. G. and Wang, Xiao-Qian},
        Date-Added = {2006-12-14 15:08:18 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Doi = {10.1103/PhysRevB.63.193412},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Sun/2001.pdf},
        Month = {May},
        Number = {19},
        Numpages = {4},
        Pages = {193412},
        Publisher = {American Physical Society},
        Title = {Soft and hard shells in metallic nanocrystals},
        Volume = {63},
        Year = {2001}}

@book{Leach:1996kx,
        Author = {Andrew R. Leach},
        Date-Added = {2006-11-29 19:03:23 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Publisher = {Addison-Wesley Pub. Co.},
        Title = {Molecular Modelling: Principles and Applications},
        Year = {1996}}

@article{Chen90,
        Author = {A.~P. Sutton and J. Chen},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Phil. Mag. Lett.},
        Pages = {139-146},
        Title = {Long-Range Finnis Sinclair Potentials},
        Volume = 61,
        Year = {1990}}

@article{Meineke:2004uq,
        Author = {Meineke, Matthew A. and Vardeman II, Charles F. and Teng Lin and Christopher J. Fennell and J. Daniel Gezelter},
        Date-Added = {2006-11-27 18:09:52 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Comp Chem},
        Number = {3},
        Pages = {252-271},
        Title = {{OOPSE:} An object-oriented parallel simulation engine for molecular dynamics},
        Volume = {26},
        Year = {2005}}

@book{asmvol3,
        Date-Added = {2006-11-27 14:49:12 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Publisher = {ASM},
        Title = {ASM Handbook Volume 03: Alloy Phase Diagrams},
        Year = {1992}}

@article{swygenhoven:1652,
        Author = {H. Van Swygenhoven and A. Caro},
        Date-Added = {2006-11-16 18:15:30 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Applied Physics Letters},
        Keywords = {nickel; plastic deformation; grain size; slip; molecular dynamics method; nanostructured materials},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Swygenhoven/1997.pdf},
        Number = {12},
        Pages = {1652-1654},
        Publisher = {AIP},
        Title = {Plastic behavior of nanophase Ni: A molecular dynamics computer simulation},
        Url = {http://link.aip.org/link/?APL/71/1652/1},
        Volume = {71},
        Year = {1997}}

@article{xiao:184504,
        Author = {Shifang Xiao and Wangyu Hu and Jianyu Yang},
        Date-Added = {2006-11-16 18:06:31 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {184504},
        Journal = {J. Chem. Phys.},
        Keywords = {silver; melting point; grain size; nanostructured materials; amorphous state; grain boundaries; computational geometry; molecular dynamics method},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Xiao/2006.pdf},
        Number = {18},
        Numpages = {4},
        Pages = {184504},
        Publisher = {AIP},
        Title = {Melting temperature: From nanocrystalline to amorphous phase},
        Url = {http://link.aip.org/link/?JCP/125/184504/1},
        Volume = {125},
        Year = {2006}}

@article{Chen:2004ec,
        Abstract = {Thermodynamic and structural properties of supercooled nanoclusters are of considerable interest. A numerical study of a gold nanocluster with 2112 atoms based on molecular dynamics simulation demonstrates how the cooling conditions affect the microstructures of nanoclusters. Structural parameters like pair correlation function, pair analysis and bond orientation-order parameters are used to investigate the structure transition of an Au nanocluster. The result shows that an Au nanocluster will evolve into a different microstructure under different cooling processes. At a cooling rate of 1.5625 $\times$ 10$^{13}$\&thinsp;K\&thinsp;s$^{\&minus;1}$, the nanocluster forms an amorphous type structure. At a lower cooling rate of 1.5625 $\times$ 10$^{12}$\&thinsp;K\&thinsp;s$^{\&minus;1}$, the system transforms from a supercooled liquid into a crystal-like structure. By looking into the bonded pairs within the cluster, the rearrangement of the Au nanocluster should be responsible for the structural evolution. },
        Author = {Ying Chen and Xiufang Bian and Jingxiang Zhang and Yanning Zhang and Li Wang},
        Date-Added = {2006-09-25 12:21:05 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Modell. Simul. Mater. Sci. Eng.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Chen/2004.pdf},
        Number = {3},
        Pages = {373-379},
        Title = {Structure and dynamics of gold nanocluster under cooling conditions},
        Url = {http://stacks.iop.org/0965-0393/12/373},
        Volume = {12},
        Year = {2004}}

@article{HuM._jp020581+,
        Author = {Hu, M. and Hartland, G.V.},
        Date-Added = {2006-09-24 23:11:31 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Phys. Chem. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/jp020581+.pdf},
        Number = {28},
        Pages = {7029-7033},
        Title = {Heat Dissipation for {A}u Particles in Aqueous Solution: Relaxation Time versus Size},
        Url = {http://dx.doi.org/10.1021/jp020581+},
        Volume = {106},
        Year = {2002}}

@article{plech:195423,
        Author = {A. Plech and V. Kotaidis and S. Gresillon and C. Dahmen and G. von Plessen},
        Date-Added = {2006-09-24 23:08:07 -0400},
        Date-Modified = {2007-03-24 12:37:59 -0400},
        Eid = {195423},
        Journal = {Phys. Rev. B},
        Keywords = {gold; laser materials processing; melting; nanoparticles; time resolved spectra; X-ray scattering; lattice dynamics; high-speed optical techniques; cooling; thermal resistance; thermal conductivity; long-range order},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/PhysRevB_70_195423.pdf},
        Number = {19},
        Numpages = {7},
        Pages = {195423},
        Publisher = {APS},
        Title = {Laser-induced heating and melting of gold nanoparticles studied by time-resolved x-ray scattering},
        Url = {http://link.aps.org/abstract/PRB/v70/e195423},
        Volume = {70},
        Year = {2004}}

@article{kotaidis:184702,
        Author = {V. Kotaidis and C. Dahmen and G. von Plessen and F. Springer and A. Plech},
        Date-Added = {2006-09-24 23:05:26 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {184702},
        Journal = {J. Chem. Phys.},
        Keywords = {gold; nanoparticles; water; laser beam effects; surface collisions; bubbles; evaporation; X-ray scattering},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_124_184702.pdf},
        Number = {18},
        Numpages = {7},
        Pages = {184702},
        Publisher = {AIP},
        Title = {Excitation of nanoscale vapor bubbles at the surface of gold nanoparticles in water},
        Url = {http://link.aip.org/link/?JCP/124/184702/1},
        Volume = {124},
        Year = {2006}}

@article{ShibataT._ja026764r,
        Author = {Shibata, T. and Bunker, B.A. and Zhang, Z. and Meisel, D. and Vardeman, C.F. and Gezelter, J.D.},
        Date-Added = {2006-09-24 22:35:30 -0400},
        Date-Modified = {2007-07-02 14:11:36 -0400},
        Journal = {J. Amer. Chem. Soc.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/ja026764r.pdf},
        Number = {40},
        Pages = {11989-11996},
        Title = {Size-Dependent Spontaneous Alloying of {A}u-{A}g Nanoparticles},
        Url = {http://dx.doi.org/10.1021/ja026764r},
        Volume = {124},
        Year = {2002}}

@article{qian:4514,
        Author = {J. Qian and R. Hentschke and A. Heuer},
        Date-Added = {2006-09-24 22:06:58 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Chem. Phys.},
        Keywords = {organic compounds; molecular dynamics method; molecular reorientation; glass},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_110_4514.pdf},
        Number = {9},
        Pages = {4514-4522},
        Publisher = {AIP},
        Title = {Dynamic heterogeneities of translational and rotational motion of a molecular glass former from computer simulations},
        Url = {http://link.aip.org/link/?JCP/110/4514/1},
        Volume = {110},
        Year = {1999}}

@article{garrison:041501,
        Author = {Barbara J. Garrison and Tatiana E. Itina and Leonid V. Zhigilei},
        Date-Added = {2006-09-23 18:10:42 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {041501},
        Journal = {Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)},
        Keywords = {laser ablation; nucleation; molecular dynamics method; digital simulation; enthalpy},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/PhysRevE_68_041501.pdf},
        Number = {4},
        Numpages = {4},
        Pages = {041501},
        Publisher = {APS},
        Title = {Limit of overheating and the threshold behavior in laser ablation},
        Url = {http://link.aps.org/abstract/PRE/v68/e041501},
        Volume = {68},
        Year = {2003}}

@article{DouY._jp003913o,
        Author = {Dou, Y. and Zhigilei, L.V. and Winograd, N. and Garrison, B.J.},
        Date-Added = {2006-09-23 18:02:53 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Phys. Chem. A},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/jp003913o.pdf},
        Number = {12},
        Pages = {2748-2755},
        Title = {Explosive Boiling of Water Films Adjacent to Heated Surfaces: A Microscopic Description},
        Url = {http://dx.doi.org/10.1021/jp003913o},
        Volume = {105},
        Year = {2001}}

@misc{ganesh-2006-,
        Author = {P. Ganesh and M. Widom},
        Date-Added = {2006-09-22 14:21:33 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/ico_cu.pdf},
        Title = {Signature of nearly icosahedral structures in liquid and supercooled liquid Copper},
        Url = {http://www.citebase.org/abstract?id=oai:arXiv.org:cond-mat/0602239},
        Year = {2006}}

@article{wolde:9932,
        Author = {Pieter Rein ten Wolde and Maria J. Ruiz-Montero and Daan Frenkel},
        Date-Added = {2006-09-22 14:12:18 -0400},
        Date-Modified = {2007-03-24 12:28:27 -0400},
        Journal = {J. Chem. Phys.},
        Keywords = {NUCLEATION; CRYSTALLIZATION; LENNARD&#150;JONES POTENTIAL; COMPUTERIZED SIMULATION; FCC LATTICES; BCC LATTICES; CRITICAL SIZE; ORDER PARAMETERS; SOLID&#150;FLUID INTERFACES; MOLECULAR DYNAMICS CALCULATIONS; REACTION RATES},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_104_9932.pdf},
        Number = {24},
        Pages = {9932-9947},
        Publisher = {AIP},
        Title = {Numerical calculation of the rate of crystal nucleation in a Lennard-Jones system at moderate undercooling},
        Url = {http://link.aip.org/link/?JCP/104/9932/1},
        Volume = {104},
        Year = {1996}}

@article{Cleveland:1997gu,
        Author = {Charles L. Cleveland and Uzi Landman and Marat N. Shafigullin and Peter W. Stephens and Robert L. Whetten},
        Date-Added = {2006-09-22 14:07:59 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Z. Phys. D},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Cleveland/1997.pdf},
        Pages = {503-508},
        Title = {Structural evolution of larger gold clusters},
        Volume = {40},
        Year = {1997}}

@article{Breaux:rz,
        Author = {Gary A. Breaux and Baopeng Cao and Martin F. Jarrold},
        Date-Added = {2006-09-22 14:07:40 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Phys. Chem. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Breaux/2005.pdf},
        Title = {Second-Order Phase Transitions in Amorphous Gallium Clusters},
        Volume = {10.1021/jp052887x},
        Year = {2005}}

@article{Magruder:1994rg,
        Author = {Magruder, III, R. H. and Osborne, Jr. , D. H. and Zuhr, R. A.},
        Date-Added = {2006-09-22 14:07:26 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Non-Cryst. Solids},
        Number = {2-3},
        Pages = {299 --303},
        Title = {Non-linear optical properties of nanometer dimension Ag-Cu particles in silica formed by sequential ion implantation},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TXM-48N5KMY-112/2/0e487c2fae5720cdcda8b63ff74b819f},
        Volume = {176},
        Year = {1994}}

@article{BenjaminGilbert07302004,
        Abstract = {Nanoparticles may contain unusual forms of structural disorder that can substantially modify materials properties and thus cannot solely be considered as small pieces of bulk material. We have developed a method to quantify intermediate-range order in 3.4-nanometer-diameter zinc sulfide nanoparticles and show that structural coherence is lost over distances beyond 2nanometers. The zinc-sulfur Einstein vibration frequency in the nanoparticles is substantially higher than that in the bulk zinc sulfide, implying structural stiffening. This cannot be explained by the observed 1% radial compression and must be primarily due to inhomogeneous internal strain caused by competing relaxations from an irregular surface. The methods developed here are generally applicable to the characterization of nanoscale solids, many of which may exhibit complex disorder and strain.
},
        Author = {Gilbert, Benjamin and Huang, Feng and Zhang, Hengzhong and Waychunas, Glenn A. and Banfield, Jillian F.},
        Date-Added = {2006-09-22 14:07:15 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eprint = {http://www.sciencemag.org/cgi/reprint/305/5684/651.pdf},
        Journal = {Science},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Gilbert/2004b.pdf},
        Number = {5684},
        Pages = {651-654},
        Title = {Nanoparticles: Strained and Stiff},
        Url = {http://www.sciencemag.org/cgi/content/abstract/305/5684/651},
        Volume = {305},
        Year = {2004}}

@article{sheng:184203,
        Author = {H. W. Sheng and J. H. He and E. Ma},
        Date-Added = {2006-09-22 14:07:07 -0400},
        Date-Modified = {2007-05-16 14:58:31 -0400},
        Eid = {184203},
        Journal = {Phys. Rev. B},
        Keywords = {silver alloys; copper alloys; rapid solidification; quenching (thermal); molecular dynamics method; crystal structure; amorphous state; short-range order},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Sheng/2002.pdf},
        Number = {18},
        Numpages = {10},
        Pages = {184203},
        Publisher = {APS},
        Title = {Molecular dynamics simulation studies of atomic-level structures in rapidly quenched Ag-Cu nonequilibrium alloys},
        Url = {http://link.aps.org/abstract/PRB/v65/e184203},
        Volume = {65},
        Year = {2002}}

@article{Chushak:2001ry,
        Author = {Y G Chushak and L S Bartell},
        Date-Added = {2006-09-22 14:07:00 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Phys. Chem. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Chushak/2001.pdf},
        Number = {47},
        Pages = {11605-11614},
        Title = {Melting and Freezing of Gold Nanoclusters},
        Volume = {105},
        Year = {2001}}

@article{Hodak:2000rb,
        Author = {Jos\'{e} H. Hodak and Arnim Henglein and Michael Giersig and Gregory V. Hartland},
        Date-Added = {2006-09-22 14:06:51 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Phys. Chem. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Hodak/2000.pdf},
        Pages = {11708 - 11718},
        Title = {Laser-Induced Inter-Diffusion in {A}u{A}g Core-Shell Nanoparticles},
        Volume = {104},
        Year = {2000}}

@article{Gafner:2004bg,
        Author = {Yu. Ya. Gafner and S. L. Gafner and P. Entel},
        Date-Added = {2006-09-22 14:06:33 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Phys. Sol. State},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Gafner/2004a.pdf},
        Number = {7},
        Pages = {1327--1330},
        Title = {Formation of an Icosahedral Structure during Crystallization of Nickel Nanoclusters},
        Volume = {46},
        Year = {2004}}

@article{he:125507,
        Author = {J. H. He and H. W. Sheng and J. S. Lin and P. J. Schilling and R. C. Tittsworth and E. Ma},
        Date-Added = {2006-09-22 14:06:29 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {125507},
        Journal = {Phys. Rev. Lett.},
        Keywords = {solid solutions; silver alloys; copper alloys; quenching (thermal); EXAFS; X-ray scattering; solubility; simulation},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/He/2002.pdf},
        Number = {12},
        Numpages = {4},
        Pages = {125507},
        Publisher = {APS},
        Title = {Homogeneity of a Supersaturated Solid Solution},
        Url = {http://link.aps.org/abstract/PRL/v89/e125507},
        Volume = {89},
        Year = {2002}}

@article{Vardeman-II:2001jn,
        Author = {C.~F. {Vardeman II} and J.~D. Gezelter},
        Date-Added = {2006-09-22 14:05:53 -0400},
        Date-Modified = {2007-03-12 17:38:32 -0400},
        Journal = {J. Phys. Chem. A},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Vardeman%20II/2001.pdf},
        Number = {12},
        Pages = {2568},
        Title = {Comparing models for diffusion in supercooled liquids: The eutectic composition of the {A}g-{C}u alloy},
        Volume = {105},
        Year = {2001}}

@article{Steinhardt:1983mo,
        Author = {P. J. Steinhardt and D. R. Nelson and M. Ronchetti},
        Date-Added = {2006-09-22 14:05:49 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/1983.pdf},
        Number = {2},
        Pages = {784-804},
        Title = {Bond-Orientational order in liquids and glasses},
        Volume = {28},
        Year = {1983}}

@article{Ascencio:2000qy,
        Author = {Ascencio, Jorge A. and Perez, Mario and Jose-Yacaman, Miguel},
        Date-Added = {2006-09-22 14:05:27 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Surf. Sci.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Ascencio/2000.pdf},
        Number = {1-3},
        Pages = {73 --80},
        Title = {A truncated icosahedral structure observed in gold nanoparticles},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TVX-3YKKDPN-F/2/18d016014a0c4b12954cb264d8688ecc},
        Volume = {447},
        Year = {2000}}

@article{Spohr:1995lr,
        Abstract = {A simple model for the interaction potential of water with a solid surface is proposed. Adsorption energy, surface structure, corrugation, and the orientational anisotropy of the interaction can be varied. The model is used to determine the dependence of the water/metal interfacial structure as a function of the adsorption energy. Adsorption of an iodide ion from the solution onto the surface is studied for two different water adsorption energies. The results confirm the interpretations of previous simulations, namely that the repulsive solvent contribution to the free energy of iodide adsorption is mostly due to the steric displacement of adsorbed water molecules.},
        Author = {Spohr, E.},
        Date-Added = {2006-08-21 18:29:05 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Mol. Liq.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/sdarticle.pdf},
        Number = {1-2},
        Pages = {91--100},
        T2 = {Ultrafast Phenomena in Liquids and Glasses},
        Title = {Ion adsorption on metal surfaces. The role of water-metal interactions},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TGR-4002H6G-G/2/7b778ec712c1e86796cf919249d0f6a7},
        Volume = {64},
        Year = {1995}}

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Revision:	3483
Committed:	Tue Jan 13 14:39:50 2009 UTC (15 years, 5 months ago) by chuckv
File size:	152565 byte(s)
Log Message:	Chuck's dissertation for PhD Jan 2009