Physical time scale in kinetic Monte Carlo simulations of continuous-time Markov chains

被引：44
|
作者：
Serebrinsky, Santiago A. [1 ]
机构：
[1] TenarisSiderca, Ctr Ind Res, Buenos Aires, DF, Argentina
来源：
PHYSICAL REVIEW E | 2011年 / 83卷 / 03期
关键词：
ALLOYS;
D O I：
10.1103/PhysRevE.83.037701
中图分类号：
O35 [流体力学]; O53 [等离子体物理学];
学科分类号：
070204 ; 080103 ; 080704 ;
摘要：
We rigorously establish a physical time scale for a general class of kinetic Monte Carlo algorithms for the simulation of continuous-time Markov chains. This class of algorithms encompasses rejection-free (or BKL) and rejection (or "standard") algorithms. For rejection algorithms, it was formerly considered that the availability of a physical time scale (instead of Monte Carlo steps) was empirical, at best. Use of Monte Carlo steps as a time unit now becomes completely unnecessary.
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页数：3
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