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

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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.

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FRONTERA BECCARIA, Carlos and VIVES I SANTA-EULÀLIA, Eduard. Comparison between molecular dynamics abd Monte Carlo simulations of an ordering process in a binary alloy. Physical Review B. 1999. Vol. 59, num. 17, pags. 11121-11124. ISSN 0163-1829. [consulted: 6 of October of 2026]. Available at: https://hdl.handle.net/2445/10483

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