Dynamic Monte Carlo versus Brownian dynamics: A comparison for self-diffusion and crystallization in colloidal fluids

被引:105
作者
Sanz, E. [1 ]
Marenduzzo, D. [1 ]
机构
[1] Univ Edinburgh, Sch Phys, SUPA, Edinburgh EH9 3JZ, Midlothian, Scotland
基金
英国工程与自然科学研究理事会;
关键词
HARD-SPHERE SUSPENSIONS; SIMULATIONS;
D O I
10.1063/1.3414827
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Here we present a comparative study of dynamic Monte Carlo and Brownian dynamics simulations of colloidal systems with repulsive interactions. We show that if the Monte Carlo time is rescaled with the acceptance probability, the estimates of the self-diffusion coefficient and of the crystallization times are, respectively, in good and fair agreement with the Brownian dynamics simulations. We also analyze the case of a particle in a one-dimensional potential, where we show that the convergence of a Monte Carlo procedure to the Brownian dynamics result is faster when time is rescaled by the acceptance probability, which gives a theoretical basis for this practical recipe. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3414827]
引用
收藏
页数:7
相关论文
共 24 条
[1]  
Allen M. P., 2017, COMPUTER SIMULATION
[2]   Prediction of absolute crystal-nucleation rate in hard-sphere colloids [J].
Auer, S ;
Frenkel, D .
NATURE, 2001, 409 (6823) :1020-1023
[3]   The influence of bond rigidity and cluster diffusion on the self-diffusion of hard spheres with square well interaction [J].
Babu, Sujin ;
Gimel, Jean-Christophe ;
Nicolai, Taco ;
De Michele, Cristiano .
JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (20)
[4]  
BAUMGARTNER A, 1984, ANNU REV PHYS CHEM, V35, P419
[5]  
Binder K., 2002, Monte Carlo Simulation in Statistical Physics
[6]   Nonequilibrium-driven motion in actin networks: Comet tails and moving beads [J].
Burroughs, N. J. ;
Marenduzzo, D. .
PHYSICAL REVIEW LETTERS, 2007, 98 (23)
[7]   Simulating colloid hydrodynamics with lattice Boltzmann methods [J].
Cates, ME ;
Stratford, K ;
Adhikari, R ;
Stansell, P ;
Desplat, JC ;
Pagonabarraga, I ;
Wagner, AJ .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2004, 16 (38) :S3903-S3915
[8]   Mapping the Monte Carlo scheme to Langevin dynamics: A Fokker-Planck approach - art. no. 067208 [J].
Cheng, XZ ;
Jalil, MBA ;
Lee, HK ;
Okabe, Y .
PHYSICAL REVIEW LETTERS, 2006, 96 (06)
[9]   Three-dimensional dynamic Monte Carlo simulations of driven polymer transport through a hole in a wall [J].
Chern, SS ;
Cárdenas, AE ;
Coalson, RD .
JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (16) :7772-7782
[10]   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