Multi-Particle Collision Dynamics: A Particle-Based Mesoscale Simulation Approach to the Hydrodynamics of Complex Fluids

被引:591
作者
Gompper, G. [1 ]
Ihle, T. [2 ]
Kroll, D. M. [2 ]
Winkler, R. G. [1 ]
机构
[1] Forschungszentrum Julich, Inst Festkorperforsch, D-52425 Julich, Germany
[2] N Dakota State Univ, Dept Phys, Fargo, ND 58108 USA
来源
ADVANCED COMPUTER SIMULATION APPROACHES FOR SOFT MATTER SCIENCES III | 2009年 / 221卷
基金
美国国家科学基金会;
关键词
Binary fluid mixtures; Colloids; Complex fluids; Hydrodynamics; Mesoscale simulation techniques; Microemulsions; Polymers; Red blood cells; Vesicles; Viscoelastic fluids; RED-BLOOD-CELLS; DILUTE POLYMER-SOLUTIONS; ASYMPTOTIC TIME BEHAVIOR; MOLECULAR-DYNAMICS; LATTICE-BOLTZMANN; TRANSPORT-COEFFICIENTS; STAR POLYMERS; SHEAR-FLOW; TRANSLATIONAL DIFFUSION; MESOSCOPIC SIMULATION;
D O I
10.1007/12_2008_5
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 [高分子化学与物理];
摘要
In this review, we describe and analyze a mesoscale simulation method for fluid flow, which was introduced by Malevanets and Kapral in 1999, and is now called multi-particle collision dynamics (MPC) or stochastic rotation dynamics (SRD). The method consists of alternating streaming and collision steps in an ensemble of point particles. The multi-particle collisions are performed by grouping particles in collision cells, and mass, momentum, and energy are locally conserved. This simulation technique captures both full hydrodynamic interactions and thermal fluctuations. The first part of the review begins with a description of several widely used MPC algorithms and then discusses important features of the original SRD algorithm and frequently used variations. Two complementary approaches for deriving the hydrodynamic equations and evaluating the transport coefficients are reviewed. It is then shown how MPC algorithms can be generalized to model non-ideal fluids, and binary mixtures with a consolute point. The importance of angular-momentum conservation for systems like phase-separated liquids with different viscosities is discussed. The second part of the review describes a number of recent applications of MPC algorithms to study colloid and polymer dynamics, the behavior of vesicles and cells in hydrodynamic flows, and the dynamics of viscoelastic fluids.
引用
收藏
页码:1 / 87
页数:87
相关论文
共 229 条
[1]
Fluctuating lattice Boltzmann [J].
Adhikari, R ;
Stratford, K ;
Cates, ME ;
Wagner, AJ .
EUROPHYSICS LETTERS, 2005, 71 (03) :473-479
[2]
MIGRATION OF MACROMOLECULES UNDER FLOW - THE PHYSICAL ORIGIN AND ENGINEERING IMPLICATIONS [J].
AGARWAL, US ;
DUTTA, A ;
MASHELKAR, RA .
CHEMICAL ENGINEERING SCIENCE, 1994, 49 (11) :1693-1717
[3]
Simulation of a single polymer chain in solution by combining lattice Boltzmann and molecular dynamics [J].
Ahlrichs, P ;
Dünweg, B .
JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (17) :8225-8239
[4]
Lattice-Boltzmann simulation of polymer-solvent systems [J].
Ahlrichs, P ;
Dünweg, B .
INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 1998, 9 (08) :1429-1438
[5]
Screening of hydrodynamic interactions in semidilute polymer solutions:: A computer simulation study -: art. no. 040501 [J].
Ahlrichs, P ;
Everaers, R ;
Dünweg, B .
PHYSICAL REVIEW E, 2001, 64 (04) :4-405014
[6]
Alberts B, 2007, MOL BIOL CELL
[7]
The direct simulation Monte Carlo method [J].
Alexander, FJ ;
Garcia, AL .
COMPUTERS IN PHYSICS, 1997, 11 (06) :588-593
[8]
Polymer packaging and ejection in viral capsids: Shape matters [J].
Ali, I. ;
Marenduzzo, D. ;
Yeomans, J. M. .
PHYSICAL REVIEW LETTERS, 2006, 96 (20)
[9]
Polymer translocation: The effect of backflow [J].
Ali, I ;
Yeomans, JM .
JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (23)
[10]
Dynamics of polymer packaging [J].
Ali, I ;
Marenduzzo, D ;
Yeomans, JM .
JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (17) :8635-8641