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Size-dependent phase diagrams of metallic alloys: A Monte Carlo simulation study on order–disorder transitions in Pt–Rh nanoparticles

Nanoparticles of Pt–Rh were studied by means of lattice-based Monte Carlo simulations with respect to the stability of ordered D0(22)- and 40-phases as a function of particle size and composition. By thermodynamic integration in the semi-grand canonical ensemble, phase diagrams for particles with a...

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Autors principals: Pohl, Johan, Stahl, Christian, Albe, Karsten
Format: Artigo
Idioma:Inglês
Publicat: Beilstein-Institut 2012
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3304325/
https://ncbi.nlm.nih.gov/pubmed/22428091
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjnano.3.1
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