Department of Chemistry and Center for Biophysical Modeling and Simulation, University of Utah, Salt Lake City, Utah 84112-0850, USA.
J Chem Phys. 2010 May 7;132(17):174106. doi: 10.1063/1.3419070.
Stochastic rotation dynamics (SRD) is a relatively recent technique, closely related to lattice Boltzmann, for capturing hydrodynamic fluid flow at the mesoscale. The SRD method is based on simple constituent fluid particle interactions and dynamics. Here we parametrize the SRD fluid to provide a one to one match in the shear viscosity of a Lennard-Jones fluid and present viscosity measurements for a range of such parameters. We demonstrate how to apply the Müller-Plathe reverse perturbation method for determining the shear viscosity of the SRD fluid and discuss how finite system size and momentum exchange rates effect the measured viscosity. The implementation and performance of SRD in a parallel molecular dynamics code is also described.
随机旋转动力学 (SRD) 是一种相对较新的技术，与格子玻尔兹曼方法密切相关，可用于在介观尺度上捕捉流体动力学流动。SRD 方法基于简单的组成流体粒子相互作用和动力学。在这里，我们参数化 SRD 流体，以提供与 Lennard-Jones 流体的剪切粘度完全匹配，并为一系列此类参数提供粘度测量值。我们展示了如何应用 Müller-Plathe 反向微扰法来确定 SRD 流体的剪切粘度，并讨论了有限系统尺寸和动量交换率如何影响测量的粘度。还描述了在并行分子动力学代码中实现和执行 SRD 的情况。
