Scaling Monte Carlo kinetics of the Potts model using rate theory

被引:120
|
作者
Raabe, D [1 ]
机构
[1] Max Planck Inst Eisenforsch GmbH, D-40237 Dusseldorf, Germany
关键词
computer simulation; microstructure; recrystallization & recovery; grain growth; theory & modeling;
D O I
10.1016/S1359-6454(99)00451-6
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
A method is introduced for scaling Monte Carlo kinetics of the Ports model using rate theory. The method is particularly designed for the kinetic and spatial scaling of multistate kinetic Potts models using one or more sets of non-conserved structural or orientational state variables S-i each of which can assume a number of Q(i) degenerate ground states (Q or multistate Ports models) as commonly employed for simulating recrystallization and curvature driven grain growth phenomena. The approach is based on the equivalence of single-site state switches in the Potts model and grain boundary motion as described by Turnbull's classical rate theory mapped on a simulation lattice. According to this approach the switching probabilities can be scaled by the ratio of the local and the maximum occurring values of the grain boundary mobility and by the ratio of the local and the maximum occurring values of configurational and scalar contributions to the driving force. The real time step elapsing during one Monte Carlo time step is scaled by the maximum occurring grain boundary mobility, the maximum occurring driving force, and the lattice parameter of the simulation grid. (C) 2000 Acta Metallurgica Inc. Published by Elsevier Science Ltd. All rights reserved.
引用
收藏
页码:1617 / 1628
页数:12
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