Algorithms for Brownian dynamics simulation

被引:43
|
作者
Branka, AC
Heyes, DM
机构
[1] Polish Acad Sci, Inst Mol Phys, PL-60179 Poznan, Poland
[2] Univ Surrey, Dept Chem, Guildford GU2 5XH, Surrey, England
来源
PHYSICAL REVIEW E | 1998年 / 58卷 / 02期
关键词
D O I
10.1103/PhysRevE.58.2611
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
Several Brownian dynamics numerical schemes for treating one-variable stochastic differential equations at the position of the Langevin level are analyzed from the point of view of their algorithmic efficiency. The algorithms are tested using a one-dimensional biharmonic Langevin oscillator process. Limitations in the conventional Brownian dynamics algorithm are shown;md it is demonstrated that much better accuracy for dynamical quantities can be achieved with an algorithm based on the stochastic expansion (SE), which is superior to the stochastic second-order Runge-Kutta algorithm. For static properties the relative accuracies of the SE and Runge-Kutta algorithms depend on the property calculated.
引用
收藏
页码:2611 / 2615
页数:5
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