Comparison between molecular dynamics abd Monte Carlo simulations of an ordering process in a binary alloy


Autoria(s): Frontera Beccaria, Carlos; Vives i Santa-Eulàlia, Eduard
Contribuinte(s)

Universitat de Barcelona

Data(s)

04/05/2010

Resumo

Ordering in a binary alloy is studied by means of a molecular-dynamics (MD) algorithm which allows to reach the domain growth regime. Results are compared with Monte Carlo simulations using a realistic vacancy-atom (MC-VA) mechanism. At low temperatures fast growth with a dynamical exponent x>1/2 is found for MD and MC-VA. The study of a nonequilibrium ordering process with the two methods shows the importance of the nonhomogeneity of the excitations in the system for determining its macroscopic kinetics.

Identificador

http://hdl.handle.net/2445/10483

Idioma(s)

eng

Publicador

the American Physical Society through the American Institute of Physics

Direitos

(c) The American Physical Society, 1999

info:eu-repo/semantics/openAccess

Palavras-Chave #Aliatges binaris #Dinàmica molecular #Mètode de Montecarlo #Binary systems (Metallurgy) #Molecular dynamics #Monte Carlo method
Tipo

info:eu-repo/semantics/article