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

Frontera Beccaria, CarlosVives i Santa-Eulàlia, Eduard2009-12-242009-12-2419990163-1829https://hdl.handle.net/2445/10483Ordering 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.4 p.application/pdfeng(c) The American Physical Society, 1999Aliatges binarisDinàmica molecularMètode de MontecarloBinary systems (Metallurgy)Molecular dynamicsMonte Carlo methodComparison between molecular dynamics abd Monte Carlo simulations of an ordering process in a binary alloyinfo:eu-repo/semantics/article151686info:eu-repo/semantics/openAccess