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@article{Zhu:1997lr, |
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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.}, |
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Author = {Zhu, Ling and DePristo, Andrew E.}, |
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Date-Added = {2007-10-03 14:57:41 -0400}, |
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Date-Modified = {2007-10-03 14:58:17 -0400}, |
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Journal = {Journal of Catalysis}, |
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Local-Url = {file://localhost/Users/charles/Documents/Papers/sdarticle2.pdf}, |
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Number = {2}, |
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Pages = {400--407}, |
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Title = {Microstructures of Bimetallic Clusters: Bond Order Metal Simulator for Disordered Alloys}, |
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Ty = {JOUR}, |
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Url = {http://www.sciencedirect.com/science/article/B6WHJ-45KMYC8-80/2/0c7f43e48e4dfa1206cb717c85db1972}, |
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Volume = {167}, |
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Year = {1997}} |
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@article{MainardiD.S._la0014306, |
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Affiliation = {Department of Chemical Engineering, University of South Carolina, Columbia, South Carolina 29208}, |
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Author = {Mainardi, D.S. and Balbuena, P.B.}, |
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Date-Added = {2007-10-03 14:53:26 -0400}, |
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Date-Modified = {2007-10-03 15:01:14 -0400}, |
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Issn = {0743-7463}, |
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Journal = {Langmuir}, |
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Local-Url = {file://localhost/Users/charles/Documents/Papers/la0014306.pdf}, |
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Number = {6}, |
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Pages = {2047-2050}, |
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Title = {Monte Carlo Simulation of Cu-Ni Nanoclusters: Surface Segregation Studies}, |
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Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/la0014306}, |
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Volume = {17}, |
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Year = {2001}} |
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@article{nose:1803, |
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Author = {Shuichi Nose and Fumiko Yonezawa}, |
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<key>group name</key> |
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<string>Melting-surface</string> |
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<key>keys</key> |
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<string>PhysRevB.59.15990,cheng:064117,mendez-villuendas:185503,kay:5120,HuangS.-P._jp0204206,Ramirez-Caballero:2006lr,sankaranarayanan:155441</string> |
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<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> |
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</dict> |
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<key>group name</key> |
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<string>Pair Analysis</string> |
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<string>Miracle:2006qy,Iwamatsu:2007lr,HoneycuttJ.Dana_j100303a014,PhysRevLett.60.2295</string> |
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<string>PhysRevLett.60.2295,Iwamatsu:2007lr,HoneycuttJ.Dana_j100303a014,Miracle:2006qy</string> |
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</dict> |
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<key>group name</key> |
