Litvinov Sergey, Ellero Marco, Hu Xiangyu, Adams Nikolaus A
Lehrstuhl für Aerodynamik, Technische Universität München, 85747 Garching, Germany.
J Chem Phys. 2009 Jan 14;130(2):021101. doi: 10.1063/1.3058437.
Smoothed dissipative particle dynamics (SDPD) is a novel coarse grained method for the numerical simulation of complex fluids. It has considerable advantages over more traditional particle-based methods. In this paper we analyze the self-diffusion coefficient D of a SDPD solvent by using the strategy proposed by Groot and Warren [J. Chem. Phys. 107, 4423 (1997)]. An analytical expression for D in terms of the model parameters is developed and verified by numerical simulations.
平滑耗散粒子动力学（SDPD）是一种用于复杂流体数值模拟的新型粗粒化方法。与更传统的基于粒子的方法相比，它具有相当大的优势。在本文中，我们使用Groot和Warren [《化学物理杂志》107, 4423 (1997)] 提出的策略分析了SDPD溶剂的自扩散系数D。推导了一个关于模型参数的D的解析表达式，并通过数值模拟进行了验证。
