| 1 |
|
|
| 2 |
< |
%% Created for Charles Vardeman at 2007-09-20 17:45:00 -0400 |
| 2 |
> |
%% Created for Charles Vardeman at 2007-10-04 14:17:46 -0400 |
| 3 |
|
|
| 4 |
|
|
| 5 |
|
%% Saved with string encoding Western (ASCII) |
| 6 |
|
|
| 7 |
+ |
|
| 8 |
+ |
|
| 9 |
+ |
@article{Zhu:1997lr, |
| 10 |
+ |
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.}, |
| 11 |
+ |
Author = {Zhu, Ling and DePristo, Andrew E.}, |
| 12 |
+ |
Date-Added = {2007-10-03 14:57:41 -0400}, |
| 13 |
+ |
Date-Modified = {2007-10-03 14:58:17 -0400}, |
| 14 |
+ |
Journal = {Journal of Catalysis}, |
| 15 |
+ |
Local-Url = {file://localhost/Users/charles/Documents/Papers/sdarticle2.pdf}, |
| 16 |
+ |
Number = {2}, |
| 17 |
+ |
Pages = {400--407}, |
| 18 |
+ |
Title = {Microstructures of Bimetallic Clusters: Bond Order Metal Simulator for Disordered Alloys}, |
| 19 |
+ |
Ty = {JOUR}, |
| 20 |
+ |
Url = {http://www.sciencedirect.com/science/article/B6WHJ-45KMYC8-80/2/0c7f43e48e4dfa1206cb717c85db1972}, |
| 21 |
+ |
Volume = {167}, |
| 22 |
+ |
Year = {1997}} |
| 23 |
+ |
|
| 24 |
+ |
@article{MainardiD.S._la0014306, |
| 25 |
+ |
Affiliation = {Department of Chemical Engineering, University of South Carolina, Columbia, South Carolina 29208}, |
| 26 |
+ |
Author = {Mainardi, D.S. and Balbuena, P.B.}, |
| 27 |
+ |
Date-Added = {2007-10-03 14:53:26 -0400}, |
| 28 |
+ |
Date-Modified = {2007-10-03 15:01:14 -0400}, |
| 29 |
+ |
Issn = {0743-7463}, |
| 30 |
+ |
Journal = {Langmuir}, |
| 31 |
+ |
Local-Url = {file://localhost/Users/charles/Documents/Papers/la0014306.pdf}, |
| 32 |
+ |
Number = {6}, |
| 33 |
+ |
Pages = {2047-2050}, |
| 34 |
+ |
Title = {Monte Carlo Simulation of Cu-Ni Nanoclusters: Surface Segregation Studies}, |
| 35 |
+ |
Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/la0014306}, |
| 36 |
+ |
Volume = {17}, |
| 37 |
+ |
Year = {2001}} |
| 38 |
+ |
|
| 39 |
+ |
@article{nose:1803, |
| 40 |
+ |
Author = {Shuichi Nose and Fumiko Yonezawa}, |
| 41 |
+ |
Date-Added = {2007-09-21 13:00:58 -0400}, |
| 42 |
+ |
Date-Modified = {2007-09-21 13:01:18 -0400}, |
| 43 |
+ |
Doi = {10.1063/1.450427}, |
| 44 |
+ |
Journal = {The Journal of Chemical Physics}, |
| 45 |
+ |
Keywords = {LENNARDJONES POTENTIAL; COMPUTERIZED SIMULATION; MELTING; CRYSTALLIZATION; MOLECULAR DYNAMICS CALCULATION; LIQUID STRUCTURE; NUCLEATION; MATHEMATICAL MODELS}, |
| 46 |
+ |
Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_84_1803.pdf}, |
| 47 |
+ |
Number = {3}, |
| 48 |
+ |
Pages = {1803-1814}, |
| 49 |
+ |
Publisher = {AIP}, |
| 50 |
+ |
Title = {Isothermal--isobaric computer simulations of melting and crystallization of a Lennard-Jones system}, |
| 51 |
+ |
Url = {http://link.aip.org/link/?JCP/84/1803/1}, |
| 52 |
+ |
Volume = {84}, |
| 53 |
+ |
Year = {1986}} |
| 54 |
|
|
| 55 |
+ |
@article{hsu:4974, |
| 56 |
+ |
Author = {C. S. Hsu and Aneesur Rahman}, |
| 57 |
+ |
Date-Added = {2007-09-21 12:52:21 -0400}, |
| 58 |
+ |
Date-Modified = {2007-09-21 12:52:40 -0400}, |
| 59 |
+ |
Doi = {10.1063/1.438311}, |
| 60 |
+ |
Journal = {The Journal of Chemical Physics}, |
| 61 |
+ |
Keywords = {NUCLEATION; SYMMETRY; INTERATOMIC FORCES; RUBIDIUM; LENNARD=(HYPHEN)=JONES POTENTIAL; CORRELATIONS; CRYSTALS}, |
| 62 |
+ |
Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_71_4974.pdf}, |
| 63 |
+ |
Number = {12}, |
| 64 |
+ |
Pages = {4974-4986}, |
| 65 |
+ |
Publisher = {AIP}, |
| 66 |
+ |
Title = {Interaction potentials and their effect on crystal nucleation and symmetry}, |
| 67 |
+ |
Url = {http://link.aip.org/link/?JCP/71/4974/1}, |
| 68 |
+ |
Volume = {71}, |
| 69 |
+ |
Year = {1979}} |
| 70 |
|
|
| 71 |
|
@article{PhysRevLett.53.1951, |
| 72 |
|
Author = {Shechtman, D. and Blech, I. and Gratias, D. and Cahn, J. W.}, |
| 134 |
|
|
| 135 |
|
@article{Waal:1995lr, |
| 136 |
|
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.}, |
| 137 |
< |
Author = {van de Waal, Benjamin W. }, |
| 137 |
> |
Author = {van de Waal, Benjamin W.}, |
| 138 |
|
Date-Added = {2007-09-20 13:17:52 -0400}, |
| 139 |
|
Date-Modified = {2007-09-20 13:18:07 -0400}, |
| 140 |
|
Journal = {Journal of Non-Crystalline Solids}, |
| 2193 |
|
<key>group name</key> |
| 2194 |
|
<string>Icosahedral Order</string> |
| 2195 |
|
<key>keys</key> |
| 2196 |
< |
<string>PhysRevLett.60.2295,HOARE:1976fk,19871127,Balucani:1990fk,ganesh-2006-,19521106,Waal:1995lr,Steinhardt:1983mo,PhysRevLett.56.1168,PhysRevLett.91.135505,turnbull:411,luo:131927</string> |
| 2196 |
> |
<string>PhysRevLett.60.2295,hsu:4974,HOARE:1976fk,19871127,Balucani:1990fk,ganesh-2006-,PhysRevLett.53.1951,19521106,Waal:1995lr,Steinhardt:1983mo,PhysRevLett.56.1168,PhysRevLett.91.135505,turnbull:411,luo:131927</string> |
| 2197 |
|
</dict> |
| 2198 |
|
<dict> |
| 2199 |
|
<key>group name</key> |
| 2205 |
|
<key>group name</key> |
| 2206 |
|
<string>Melting-surface</string> |
| 2207 |
|
<key>keys</key> |
| 2208 |
< |
<string>sankaranarayanan:155441,cheng:064117,mendez-villuendas:185503,kay:5120,HuangS.-P._jp0204206,Ramirez-Caballero:2006lr,PhysRevB.59.15990</string> |
| 2208 |
> |
<string>PhysRevB.59.15990,cheng:064117,MainardiD.S._la0014306,kay:5120,Zhu:1997lr,sankaranarayanan:155441,Ramirez-Caballero:2006lr,HuangS.-P._jp0204206,mendez-villuendas:185503</string> |
| 2209 |
|
</dict> |
| 2210 |
|
<dict> |
| 2211 |
|
<key>group name</key> |
