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翻訳と辞書　辞書検索 [ 開発暫定版 ] スポンサード リンク Multi-particle collision dynamics ： ウィキペディア英語版 Multi-particle collision dynamics Multi-particle collision dynamics (MPC), also known as stochastic rotation dynamics (SRD),〔(G. Gompper, T. Ihle, K. Kroll and R. G. Winkler "Multi-Particle Collision Dynamics: A Particle-Based Mesoscale Simulation Approach to the Hydrodynamics of Complex Fluids", Advanced Computer Simulation Approaches for Soft Matter Sciences III, Advances in Polymer Science 221 p. 1 (2009) ) (http://arxiv.org/abs/0808.2157 )〕 is a particle-based mesoscale simulation technique for complex fluids which fully incorporates thermal fluctuations and hydrodynamic interactions.〔(A. Malevanets and R. Kapral "Mesoscopic model for solvent dynamics", Journal of Chemical Physics 110 pp. 8605-8613 (1999) )〕 Coupling of embedded particles to the coarse-grained solvent is achieved through molecular dynamics.〔(A. Malevanets and R. Kapral "Solute molecular dynamics in a mesoscale solvent", Journal of Chemical Physics 112 pp. 7260-7269 (2000) )〕 ==Method of simulation== The solvent is modelled as a set of $N$ point particles of mass $m$ with continuous coordinates $\backslash vec\_$ and velocities $\backslash vec\_$. The simulation consists of streaming and collision steps. During the streaming step, the coordinates of the particles are updated according to $\backslash vec\_(t+\backslash delta\; t\_\_(t)\; +\; \backslash vec\_(t)\; \backslash delta\; t\_\}$ is a chosen simulation time step which is typically much larger than a molecular dynamics time step. After the streaming step, interactions between the solvent particles are modelled in the collision step. The particles are sorted into collision cells with a lateral size $a$. Particle velocities within each cell are updated according to the collision rule :$\backslash vec\_\; \backslash rightarrow\; \backslash vec\_\}\; (\; \backslash vec\_\; -\; \backslash vec\_\_\}$ is a rotation matrix. In two dimensions, $\backslash hat\{\backslash mathbf\{R\}\}$ performs a rotation by an angle $+\backslash alpha$ or $-\backslash alpha$ with probability $1/2$. In three dimensions, the rotation is performed by an angle $\backslash alpha$ around a random rotation axis. The same rotation is applied for all particles within a given collision cell, but the direction (axis) of rotation is statistically independent both between all cells and for a given cell in time. If the structure of the collision grid defined by the positions of the collision cells is fixed, Galilean invariance is violated. It is restored with the introduction of a random shift of the collision grid.〔(T. Ihle and D. Kroll "Stochastic rotation dynamics. I. Formalism, Galilean invariance, and Green-Kubo relations", Physical Review E 67 066705 (2003) )〕 Explicit expressions for the diffusion coefficient and viscosity derived based on Green-Kubo relations are in excellent agreement with simulations.〔(T. Ihle, E. Tüzel and D. M. Kroll "Resummed Green-Kubo relations for a fluctuating fluid-particle model", Physical Review E 70 035701 (2004) )〕〔(T. Ihle, E. Tüzel and D. M. Kroll "Equilibrium calculation of transport coefficients for a fluid-particle model", Physical Review E 72 046707 (2005) )〕 抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』 ■ウィキペディアで「Multi-particle collision dynamics」の詳細全文を読む スポンサード リンク 翻訳と辞書 : 翻訳のためのインターネットリソース Copyright(C) kotoba.ne.jp 1997-2016. All Rights Reserved.