Studies of Non-equilibrium Phenomena of Colloidal Dispersions Using a New Simulation Method

我们已经开发了一种独特的方法来直接数值模拟（DNS）的稠密胶体分散体这种方法使我们能够计算胶体颗粒，离子，和主机流体的时间演化同时通过求解牛顿，对流扩散，和Navier-Stokes方程，这样电-我们已经发布了一个名为KAPSEL的胶体模拟器，实现了SPM，并将其应用于胶体模拟。最近，为了将该方法推广到布朗体系，对剪切流下的色散进行了修正，并在2007财年的大规模模拟及其应用方面取得了重大成果。我们已经成功地并行化KAPSEL，使它可以运行在现代多核类型的CPU与OpenMP编码。已经做出了一些努力来实现更好的性能，如链表方法和通常的线程优化。因此，超过95%的初始轴被并行化，并且使用Xeon 8核CPU获得了5.4倍的性能。

We have developed a unique method for direct numerical simulations (DNS) of dense colloidal dispersions This method enables us to compute the time evolutions of colloidal particles, ions, and host fluids simultaneously by solving Newton, advection-diffusion, and Navier-Stokes equations, so that the electro-hydrodynamic couplings can be fully taken into amount We have released a colloidal simulator named KAPSEL with implementing SPM and applied it for colloidal dispersions in several situations including under shear flow Modification for introducing the thermal fluctuations was also done recently to extend this method to Brownian systems.A significant achievement was obtained in the fiscal year 2007 on large scale simulation and its application. We have succeeded to parallelize KAPSEL so that it can run on modern multi-core type CPUs with OpenMP coding. Several efforts have been made to realize better performance such as linked List method and usual thread optimizations. As a result, over 95% of the initial axle was parallelized and 5.4 times better performance has been obtained with using a Xeon 8-core CPU.