VACANCY-DRIVEN ORDERING IN A 2-DIMENSIONAL BINARY ALLOY

Article

关键词: MONTE-CARLO SIMULATION;    GROWTH-KINETICS;    DISORDER TRANSITION;    DILUTE SYSTEMS;    DOMAIN-GROWTH;    IMPURITIES;    MODEL;    DYNAMICS;    CU3AU;    CU;   

DOI  :  10.1103/PhysRevB.47.2557

来源: SCIE

【 摘 要 】

Domain growth in a system with nonconserved order parameter is studied. We simulate the usual Ising model for binary alloys with concentration 0.5 on a two-dimensional square lattice by Monte Carlo techniques. Measurements of the energy, jump-acceptance ratio, and order parameters are performed. Dynamics based on the diffusion of a single vacancy in the system gives a growth law faster than the usual Allen-Cahn law. Allowing vacancy jumps to next-nearest-neighbor sites is essential to prevent vacancy trapping in the ordered regions. By measuring local order parameters we show that the vacancy prefers to be in the disordered regions (domain boundaries). This naturally concentrates the atomic jumps in the domain boundaries, accelerating the growth compared with the usual exchange mechanism that causes jumps to be homogeneously distributed on the lattice.

【 授权许可】

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