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Revision 3755 by skuang, Fri Jul 29 15:45:14 2011 UTC

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3  
4  
5 < %% Created for Shenyu Kuang at 2011-07-12 17:52:09 -0400
5 > %% Created for Shenyu Kuang at 2011-07-29 10:10:06 -0400
6  
7  
8   %% Saved with string encoding Unicode (UTF-8)
9 +
10 +
11 +
12 + @article{doi:10.1080/0026897031000068578,
13 +        Abstract = { Using equilibrium and non-equilibrium molecular dynamics simulations, we determine the Kapitza resistance (or thermal contact resistance) at a model liquid-solid interface. The Kapitza resistance (or the associated Kapitza length) can reach appreciable values when the liquid does not wet the solid. The analogy with the hydrodynamic slip length is discussed. },
14 +        Author = {BARRAT, JEAN-LOUIS and CHIARUTTINI, FRAN{\c C}OIS},
15 +        Date-Added = {2011-07-29 10:04:36 -0400},
16 +        Date-Modified = {2011-07-29 10:04:36 -0400},
17 +        Doi = {10.1080/0026897031000068578},
18 +        Eprint = {http://tandfprod.literatumonline.com/doi/pdf/10.1080/0026897031000068578},
19 +        Journal = {Molecular Physics},
20 +        Number = {11},
21 +        Pages = {1605-1610},
22 +        Title = {Kapitza resistance at the liquid---solid interface},
23 +        Url = {http://tandfprod.literatumonline.com/doi/abs/10.1080/0026897031000068578},
24 +        Volume = {101},
25 +        Year = {2003},
26 +        Bdsk-Url-1 = {http://tandfprod.literatumonline.com/doi/abs/10.1080/0026897031000068578},
27 +        Bdsk-Url-2 = {http://dx.doi.org/10.1080/0026897031000068578}}
28 +
29 + @article{doi:10.1021/jp020581+,
30 +        Abstract = { The rate of energy dissipation from Au nanoparticles to their surroundings has been examined by pump−probe spectroscopy. These experiments were performed for particles suspended in aqueous solution, with average sizes ranging from 4 to 50 nm in diameter. The results show that energy relaxation is a very nonexponential process. Fitting the data to a stretched exponential function yields a characteristic time scale for relaxation that varies from ca. 10 ps for the smallest particles examined (∼4 nm diameter) to almost 400 ps for the 50 nm diameter particles. The relaxation times are proportional to the square of the radius, but do not depend on the initial temperature of the particles (i.e., the pump laser power). For very small particles, the time scale for energy dissipation is comparable to the time scale for electron−phonon coupling, which implies that significant energy loss occurs before the electrons and phonons reach thermal equilibrium within the particle. },
31 +        Author = {Hu, Min and Hartland, Gregory V.},
32 +        Date-Added = {2011-07-28 17:46:33 -0400},
33 +        Date-Modified = {2011-07-28 17:46:33 -0400},
34 +        Doi = {10.1021/jp020581+},
35 +        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp020581%2B},
36 +        Journal = {The Journal of Physical Chemistry B},
37 +        Number = {28},
38 +        Pages = {7029-7033},
39 +        Title = {Heat Dissipation for Au Particles in Aqueous Solution:  Relaxation Time versus Size},
40 +        Url = {http://pubs.acs.org/doi/abs/10.1021/jp020581%2B},
41 +        Volume = {106},
42 +        Year = {2002},
43 +        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp020581+},
44 +        Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp020581+}}
45 +
46 + @article{PhysRevLett.96.186101,
47 +        Author = {Ge, Zhenbin and Cahill, David G. and Braun, Paul V.},
48 +        Date-Added = {2011-07-28 15:41:43 -0400},
49 +        Date-Modified = {2011-07-28 15:41:43 -0400},
50 +        Doi = {10.1103/PhysRevLett.96.186101},
51 +        Journal = {Phys. Rev. Lett.},
52 +        Month = {May},
53 +        Number = {18},
54 +        Numpages = {4},
55 +        Pages = {186101},
56 +        Publisher = {American Physical Society},
57 +        Title = {Thermal Conductance of Hydrophilic and Hydrophobic Interfaces},
58 +        Volume = {96},
59 +        Year = {2006},
60 +        Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevLett.96.186101}}
61 +
62 + @article{doi:10.1021/jp048375k,
63 +        Abstract = { Water- and alcohol-soluble AuPd nanoparticles have been investigated to determine the effect of the organic stabilizing group on the thermal conductance G of the particle/fluid interface. The thermal decays of tiopronin-stabilized 3−5-nm diameter AuPd alloy nanoparticles, thioalkylated ethylene glycol-stabilized 3−5-nm diameter AuPd nanoparticles, and cetyltrimethylammonium bromide-stabilized 22-nm diameter Au-core/AuPd-shell nanoparticles give thermal conductances G ≈ 100−300 MW m-2 K-1 for the particle/water interfaces, approximately an order of magnitude larger than the conductance of the interfaces between alkanethiol-terminated AuPd nanoparticles and toluene. The similar values of G for particles ranging in size from 3 to 24 nm with widely varying surface chemistry indicate that the thermal coupling between AuPd nanoparticles and water is strong regardless of the self-assembled stabilizing group. },
64 +        Author = {Ge, Zhenbin and Cahill, David G. and Braun, Paul V.},
65 +        Date-Added = {2011-07-28 15:41:14 -0400},
66 +        Date-Modified = {2011-07-28 15:59:32 -0400},
67 +        Doi = {10.1021/jp048375k},
68 +        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp048375k},
69 +        Journal = {J. Phys. Chem. B},
70 +        Number = {49},
71 +        Pages = {18870-18875},
72 +        Title = {AuPd Metal Nanoparticles as Probes of Nanoscale Thermal Transport in Aqueous Solution},
73 +        Url = {http://pubs.acs.org/doi/abs/10.1021/jp048375k},
74 +        Volume = {108},
75 +        Year = {2004},
76 +        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp048375k},
77 +        Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp048375k}}
78 +
79 + @article{PhysRevB.67.054302,
80 +        Author = {Costescu, Ruxandra M. and Wall, Marcel A. and Cahill, David G.},
81 +        Date-Added = {2011-07-28 15:40:29 -0400},
82 +        Date-Modified = {2011-07-28 15:40:29 -0400},
83 +        Doi = {10.1103/PhysRevB.67.054302},
84 +        Journal = {Phys. Rev. B},
85 +        Month = {Feb},
86 +        Number = {5},
87 +        Numpages = {5},
88 +        Pages = {054302},
89 +        Publisher = {American Physical Society},
90 +        Title = {Thermal conductance of epitaxial interfaces},
91 +        Volume = {67},
92 +        Year = {2003},
93 +        Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.67.054302}}
94 +
95 + @article{garde:nl2005,
96 +        Abstract = { Systems with nanoscopic features contain a high density of interfaces. Thermal transport in such systems can be governed by the resistance to heat transfer, the Kapitza resistance (RK), at the interface. Although soft interfaces, such as those between immiscible liquids or between a biomolecule and solvent, are ubiquitous, few studies of thermal transport at such interfaces have been reported. Here we characterize the interfacial conductance, 1/RK, of soft interfaces as a function of molecular architecture, chemistry, and the strength of cross-interfacial intermolecular interactions through detailed molecular dynamics simulations. The conductance of various interfaces studied here, for example, water−organic liquid, water−surfactant, surfactant−organic liquid, is relatively high (in the range of 65−370 MW/m2 K) compared to that for solid−liquid interfaces (∼10 MW/m2 K). Interestingly, the dependence of interfacial conductance on the chemistry and molecular architecture cannot be explained solely in terms of either bulk property mismatch or the strength of intermolecular attraction between the two phases. The observed trends can be attributed to a combination of strong cross-interface intermolecular interactions and good thermal coupling via soft vibration modes present at liquid−liquid interfaces. },
97 +        Author = {Patel, Harshit A. and Garde, Shekhar and Keblinski, Pawel},
98 +        Date-Added = {2011-07-26 13:56:59 -0400},
99 +        Date-Modified = {2011-07-26 13:57:47 -0400},
100 +        Doi = {10.1021/nl051526q},
101 +        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/nl051526q},
102 +        Journal = {Nano Lett.},
103 +        Note = {PMID: 16277458},
104 +        Number = {11},
105 +        Pages = {2225-2231},
106 +        Title = {Thermal Resistance of Nanoscopic Liquid−Liquid Interfaces:  Dependence on Chemistry and Molecular Architecture},
107 +        Url = {http://pubs.acs.org/doi/abs/10.1021/nl051526q},
108 +        Volume = {5},
109 +        Year = {2005},
110 +        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/nl051526q},
111 +        Bdsk-Url-2 = {http://dx.doi.org/10.1021/nl051526q}}
112  
113 + @article{garde:PhysRevLett2009,
114 +        Author = {Shenogina, Natalia and Godawat, Rahul and Keblinski, Pawel and Garde, Shekhar},
115 +        Date-Added = {2011-07-25 16:06:12 -0400},
116 +        Date-Modified = {2011-07-26 13:58:33 -0400},
117 +        Doi = {10.1103/PhysRevLett.102.156101},
118 +        Journal = {Phys. Rev. Lett.},
119 +        Month = {Apr},
120 +        Number = {15},
121 +        Numpages = {4},
122 +        Pages = {156101},
123 +        Publisher = {American Physical Society},
124 +        Title = {How Wetting and Adhesion Affect Thermal Conductance of a Range of Hydrophobic to Hydrophilic Aqueous Interfaces},
125 +        Volume = {102},
126 +        Year = {2009},
127 +        Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevLett.102.156101}}
128  
129 + @article{doi:10.1021/cr9801317,
130 +        Author = {Takano, Hajime and Kenseth, Jeremy R. and Wong, Sze-Shun and O'Brie, Janese C. and Porter, Marc D.},
131 +        Date-Added = {2011-07-25 14:50:24 -0400},
132 +        Date-Modified = {2011-07-25 14:50:24 -0400},
133 +        Doi = {10.1021/cr9801317},
134 +        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/cr9801317},
135 +        Journal = {Chem. Rev.},
136 +        Number = {10},
137 +        Pages = {2845-2890},
138 +        Title = {Chemical and Biochemical Analysis Using Scanning Force Microscopy},
139 +        Url = {http://pubs.acs.org/doi/abs/10.1021/cr9801317},
140 +        Volume = {99},
141 +        Year = {1999},
142 +        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/cr9801317},
143 +        Bdsk-Url-2 = {http://dx.doi.org/10.1021/cr9801317}}
144 +
145 + @article{doi:10.1021/ja00008a001,
146 +        Author = {Widrig, Cindra A. and Alves, Carla A. and Porter, Marc D.},
147 +        Date-Added = {2011-07-25 14:49:37 -0400},
148 +        Date-Modified = {2011-07-25 14:49:37 -0400},
149 +        Doi = {10.1021/ja00008a001},
150 +        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja00008a001},
151 +        Journal = {J. Am. Chem. Soc.},
152 +        Number = {8},
153 +        Pages = {2805-2810},
154 +        Title = {Scanning tunneling microscopy of ethanethiolate and n-octadecanethiolate monolayers spontaneously absorbed at gold surfaces},
155 +        Url = {http://pubs.acs.org/doi/abs/10.1021/ja00008a001},
156 +        Volume = {113},
157 +        Year = {1991},
158 +        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja00008a001},
159 +        Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja00008a001}}
160  
161   @article{doi:10.1021/la026493y,
162          Abstract = { We have studied butanethiol self-assembled monolayers on Au(100) using cyclic voltammetry and in situ scanning tunneling microscopy (STM). The butanethiol adlayer shows ordered domains with a striped structure, the stripes running parallel to the main crystallographic axes of the substrate. After modification the surface reveals a 50% coverage of monoatomic high gold islands, but no vacancy islands were observed. Reductive and oxidative desorption of the film, previously studied by electrochemistry, were monitored by STM. },
# Line 32 | Line 181
181          Date-Modified = {2011-07-12 17:51:55 -0400},
182          Doi = {10.1021/j100035a033},
183          Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100035a033},
184 <        Journal = {The Journal of Physical Chemistry},
184 >        Journal = {J. Phys. Chem.},
185          Number = {35},
186          Pages = {13257-13267},
187          Title = {Structural Origins of the Surface Depressions at Alkanethiolate Monolayers on Au(111): A Scanning Tunneling and Atomic Force Microscopic Investigation},
# Line 47 | Line 196
196          Date-Added = {2011-07-11 18:27:57 -0400},
197          Date-Modified = {2011-07-11 18:27:57 -0400},
198          Doi = {10.1063/1.457621},
199 <        Journal = {The Journal of Chemical Physics},
199 >        Journal = {J. Chem. Phys.},
200          Keywords = {MOLECULAR DYNAMICS CALCULATIONS; SIMULATION; MONOLAYERS; THIOLS; ALKYL COMPOUNDS; CHAINS; SURFACE STRUCTURE; GOLD; SUBSTRATES; CHEMISORPTION; SURFACE PROPERTIES},
201          Number = {8},
202          Pages = {4994-5001},
# Line 66 | Line 215
215          Date-Modified = {2011-07-11 18:22:54 -0400},
216          Doi = {10.1021/jp981745i},
217          Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp981745i},
218 <        Journal = {The Journal of Physical Chemistry B},
218 >        Journal = {J. Phys. Chem. B},
219          Number = {34},
220          Pages = {6566-6572},
221          Title = {Structure and Thermodynamics of Self-Assembled Monolayers on Gold Nanocrystallites},
# Line 133 | Line 282
282          Date-Modified = {2011-07-08 17:04:34 -0400},
283          Doi = {10.1021/jp8051888},
284          Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp8051888},
285 <        Journal = {The Journal of Physical Chemistry C},
285 >        Journal = {J. Phys. Chem. C},
286          Number = {35},
287          Pages = {13320-13323},
288          Title = {Probing the Gold Nanorod−Ligand−Solvent Interface by Plasmonic Absorption and Thermal Decay},
# Line 183 | Line 332
332          Date-Modified = {2011-07-11 16:07:01 -0400},
333          Doi = {10.1021/jp200672e},
334          Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp200672e},
335 <        Journal = {The Journal of Physical Chemistry C},
335 >        Journal = {J. Phys. Chem. C},
336          Number = {19},
337          Pages = {9622-9628},
338          Title = {Effect of Carbon Chain Length on the Dynamics of Heat Transfer at a Gold/Hydrocarbon Interface: Comparison of Simulation with Experiment},
# Line 193 | Line 342
342          Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp200672e},
343          Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp200672e}}
344  
345 < @article{doi:10.1021/ja00051a040,
345 > @article{UFF.rappe92,
346          Author = {Rappe, A. K. and Casewit, C. J. and Colwell, K. S. and Goddard, W. A. and Skiff, W. M.},
347          Date-Added = {2011-06-29 14:04:33 -0400},
348 <        Date-Modified = {2011-06-29 14:04:33 -0400},
348 >        Date-Modified = {2011-07-26 18:53:04 -0400},
349          Doi = {10.1021/ja00051a040},
350          Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja00051a040},
351          Journal = {Journal of the American Chemical Society},
# Line 211 | Line 360
360  
361   @article{doi:10.1021/jp034405s,
362          Abstract = { We use the universal force field (UFF) developed by Rapp{\'e} et al. (Rapp{\'e}, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A.; Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024) and the specific classical potentials developed from ab initio calculations for Au−benzenedithiol (BDT) molecule interaction to perform molecular dynamics (MD) simulations of a BDT monolayer on an extended Au(111) surface. The simulation system consists of 100 BDT molecules and three rigid Au layers in a simulation box that is rhombic in the plane of the Au surface. A multiple time scale algorithm, the double-reversible reference system propagator algorithm (double RESPA) based on the Nos{\'e}−Hoover dynamics scheme, and the Ewald summation with a boundary correction term for the treatment of long-range electrostatic interactions in a 2-D slab have been incorporated into the simulation technique. We investigate the local bonding properties of Au−BDT contacts and molecular orientation distributions of BDT molecules. These results show that whereas different basis sets from ab initio calculations may generate different local bonding geometric parameters (the bond length, etc.) the packing structures of BDT molecules maintain approximately the same well-ordered herringbone structure with small peak differences in the probability distributions of global geometric parameters. The methodology developed here opens an avenue for classical simulations of a metal−molecule−metal complex in molecular electronics devices. },
363 <        Author = {Leng and Keffer, David J. and Cummings, Peter T.},
363 >        Author = {Leng, Y. and Keffer, David J. and Cummings, Peter T.},
364          Date-Added = {2011-04-28 11:23:28 -0400},
365          Date-Modified = {2011-04-28 11:23:28 -0400},
366          Doi = {10.1021/jp034405s},
367          Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp034405s},
368 <        Journal = {The Journal of Physical Chemistry B},
368 >        Journal = {J. Phys. Chem. B},
369          Number = {43},
370          Pages = {11940-11950},
371          Title = {Structure and Dynamics of a Benzenedithiol Monolayer on a Au(111) Surface},
# Line 235 | Line 384
384          Date-Modified = {2011-02-04 18:54:58 -0500},
385          Do = {10.1021/ja9621760},
386          Isbn = {0002-7863},
387 <        Journal = {Journal of the American Chemical Society},
387 >        Journal = {J. Am. Chem. Soc.},
388          M3 = {doi: 10.1021/ja9621760},
389          Month = {01},
390          Number = {45},
# Line 255 | Line 404
404          Date-Modified = {2011-02-04 18:32:22 -0500},
405          Doi = {10.1021/jp001044x},
406          Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp001044x},
407 <        Journal = {The Journal of Physical Chemistry B},
407 >        Journal = {J. Phys. Chem. B},
408          Number = {33},
409          Pages = {8008-8016},
410          Title = {Transferable Potentials for Phase Equilibria. 4. United-Atom Description of Linear and Branched Alkenes and Alkylbenzenes},
# Line 271 | Line 420
420          Date-Modified = {2011-02-04 18:02:19 -0500},
421          Doi = {10.1021/jp972543+},
422          Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp972543%2B},
423 <        Journal = {The Journal of Physical Chemistry B},
423 >        Journal = {J. Phys. Chem. B},
424          Number = {14},
425          Pages = {2569-2577},
426          Title = {Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes},
# Line 287 | Line 436
436          Date-Modified = {2011-02-04 17:54:20 -0500},
437          Doi = {10.1021/jp0549125},
438          Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp0549125},
439 <        Journal = {The Journal of Physical Chemistry B},
439 >        Journal = {J. Phys. Chem. B},
440          Number = {50},
441          Pages = {24100-24107},
442          Title = {Transferable Potentials for Phase Equilibria. 8. United-Atom Description for Thiols, Sulfides, Disulfides, and Thiophene},
# Line 303 | Line 452
452          Date-Modified = {2011-02-04 18:21:59 -0500},
453          Doi = {DOI: 10.1016/j.cpc.2007.02.028},
454          Issn = {0010-4655},
455 <        Journal = {Computer Physics Communications},
455 >        Journal = {Comput. Phys. Commun.},
456          Keywords = {Gold nanocrystals},
457          Note = {Proceedings of the Conference on Computational Physics 2006 - CCP 2006, Conference on Computational Physics 2006},
458          Number = {1-2},
# Line 321 | Line 470
470          Date-Added = {2011-02-01 15:13:02 -0500},
471          Date-Modified = {2011-02-01 15:14:25 -0500},
472          Ee = {http://dx.doi.org/10.1002/jcc.21224},
473 <        Journal = {Journal of Computational Chemistry},
473 >        Journal = {J. Comput. Chem.},
474          Number = {13},
475          Pages = {2157-2164},
476          Title = {PACKMOL: A package for building initial configurations for molecular dynamics simulations},
# Line 334 | Line 483
483          Date-Modified = {2011-01-31 17:12:35 -0500},
484          Doi = {10.1063/1.3499947},
485          Eid = {164101},
486 <        Journal = {The Journal of Chemical Physics},
486 >        Journal = {J. Chem. Phys.},
487          Keywords = {linear momentum; molecular dynamics method; thermal conductivity; total energy; viscosity},
488          Number = {16},
489          Numpages = {9},
# Line 481 | Line 630
630          Doi = {ARTN 224301},
631          Journal = {Phys. Rev. B},
632          Local-Url = {file://localhost/Users/charles/Documents/Papers/e2243010.pdf},
633 +        Pages = {224301},
634          Title = {Colloidal metal particles as probes of nanoscale thermal transport in fluids},
635          Volume = {66},
636          Year = {2002},
# Line 507 | Line 657
657          Date-Added = {2010-08-06 17:02:22 -0400},
658          Date-Modified = {2010-08-06 17:02:22 -0400},
659          Doi = {10.1063/1.1524305},
660 <        Journal = {J. Applied Phys.},
660 >        Journal = {J. Appl. Phys.},
661          Keywords = {nanostructured materials; reviews; thermal conductivity; interface phenomena; molecular dynamics method; thermal management (packaging); Boltzmann equation; carbon nanotubes; porosity; semiconductor superlattices; thermoreflectance; interface phonons; thermoelectricity; phonon-phonon interactions},
662          Number = {2},
663          Pages = {793-818},
# Line 677 | Line 827
827          Author = {A.~P. Sutton and J. Chen},
828          Date-Added = {2010-07-13 11:40:48 -0400},
829          Date-Modified = {2010-07-13 11:40:48 -0400},
830 <        Journal = {Phil. Mag. Lett.},
830 >        Journal = {Philos. Mag. Lett.},
831          Pages = {139-146},
832          Title = {Long-Range Finnis Sinclair Potentials},
833          Volume = 61,
# Line 1577 | Line 1727
1727          Isi = {000226558200006},
1728          Isi-Recid = {142688207},
1729          Isi-Ref-Recids = {67885400 50663994 64190493 93668415 46699855 89992422 57614458 49016001 61447131 111114169 68770425 52728075 102422498 66381878 32391149 134477335 53221357 9929643 59492217 69681001 99223832 142688208 94600872 91658572 54857943 117365867 69323123 49588888 109970172 101670714 142688209 121603296 94652379 96449138 99938010 112825758 114905670 86802042 121339042 104794914 82674909 72096791 93668384 90513335 142688210 23060767 63731466 109033408 76303716 31384453 97861662 71842426 130707771 125809946 66381889 99676497},
1730 <        Journal = {J. Comp. Chem.},
1730 >        Journal = {J. Comput. Chem.},
1731          Keywords = {OOPSE; molecular dynamics},
1732          Month = feb,
1733          Number = {3},

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