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
相关论文
共 17 条
[1]   A simulation technique for many spheres in quasi-static motion under frame-invariant pair drag and Brownian forces [J].
Ball, RC ;
Melrose, JR .
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, 1997, 247 (1-4) :444-472
[2]   TOWARDS A MOLECULAR THEORY FOR MODELING LONG-TIME POLYMER DYNAMICS [J].
CHANG, XY ;
FREED, KF .
CHEMICAL ENGINEERING SCIENCE, 1994, 49 (17) :2821-2832
[3]   CALCULATING HYDRODYNAMIC PROPERTIES OF DNA THROUGH A 2ND-ORDER BROWNIAN DYNAMICS ALGORITHM [J].
CHIRICO, G ;
LANGOWSKI, J .
MACROMOLECULES, 1992, 25 (02) :769-775
[4]   DYNAMIC COMPUTER-SIMULATION OF CONCENTRATED HARD-SPHERE SUSPENSIONS .1. SIMULATION TECHNIQUE AND MEAN-SQUARE DISPLACEMENT DATA [J].
CICHOCKI, B ;
HINSEN, K .
PHYSICA A, 1990, 166 (03) :473-491
[5]   VISCOELASTIC PROPERTIES OF SIMPLE FLEXIBLE AND SEMIRIGID MODELS FROM BROWNIAN DYNAMICS SIMULATION [J].
DIAZ, FG ;
DELATORRE, JG ;
FREIRE, JJ .
MACROMOLECULES, 1990, 23 (12) :3144-3149
[6]   Dynamic simulation of suspensions of non-Brownian hard spheres [J].
Dratler, DI ;
Schowalter, WR .
JOURNAL OF FLUID MECHANICS, 1996, 325 :53-77
[7]   COMPUTER-SIMULATION OF CHARGED-PARTICLES IN SOLUTION .1. TECHNIQUE AND EQUILIBRIUM PROPERTIES [J].
ERMAK, DL .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (10) :4189-4196
[8]  
Gardiner C.W., 1985, Handbook of stochastic methods, V3
[10]   BROWNIAN DYNAMICS SIMULATIONS OF MODEL HARD-SPHERE SUSPENSIONS [J].
HEYES, DM ;
MELROSE, JR .
JOURNAL OF NON-NEWTONIAN FLUID MECHANICS, 1993, 46 (01) :1-28