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

使用新的模拟方法研究胶体分散体的非平衡现象

• 批准号: 18540405
• 负责人: YAMAMOTO Ryoichi
• 金额: $ 2.49万
• 依托单位: Kyoto University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2006
• 资助国家: 日本
• 起止时间: 2006 至 2007
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-18540405/
• 关键词: Computational Physics; Chemical Physics; Modeling; Fluid; Colloid; Parallel Computation; Rheology; Thermal Fluctuation

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.

我们开发了一种用于稠密胶体分散体系的直接数值模拟的独特方法。该方法通过求解牛顿方程、对流扩散方程和Navier-Stokes方程，使我们能够同时计算胶体粒子、离子和主体流体的时间演化，以便充分考虑电流体耦合。我们已经发布了一个名为Kapsel的胶体模拟器，并实现了SPM，并将其应用于包括剪切下流动在内的多种情况下的胶体分散，最近还进行了引入热涨落的修改，将该方法扩展到布朗体系。2007财政年度在大规模模拟和应用方面取得了重大成果。我们已经成功地对Kapsel进行了并行化，使其可以运行在采用OpenMP编码的现代多核型CPU上。为了实现更好的性能，已经做了一些努力，如链表方法和常用的线程优化。结果，95%以上的初始轴被并行化，使用至强8核CPU的性能提高了5.4倍。

项目成果

KAPSEL : Kyoto Advanced Particle Simulator for ELectrohydrodynamics -Toward Direct Numerical Simulations

KAPSEL：用于电流体动力学的京都高级粒子模拟器 - 迈向直接数值模拟

• 发表时间: 2006
• 期刊: KONA 24
• 作者: Ryoichi Yamamoto;Kim kang;Yasuya Nakayama
• 通讯作者: Yasuya Nakayama

熱揺らぎと流体力学相互作用を考慮した微粒子分散系のシミュレーション

考虑热波动和流体动力相互作用的颗粒分散系统模拟

• 发表时间: 2007
• 作者: Ryoichi;Yamamoto;山本量一
• 通讯作者: 山本量一

Direct numerical simulations of electrophoresis of charged colloids

• DOI: 10.1103/physrevlett.96.208302
• 发表时间: 2006-05-26
• 期刊: PHYSICAL REVIEW LETTERS
• 影响因子: 8.6
• 作者: Kim, Kang;Nakayama, Yasuya;Yamamoto, Ryoichi
• 通讯作者: Yamamoto, Ryoichi

Simulating (electro) hydrodynamic effects in colloidal dispersions: Smoothed profile method

• DOI: 10.1140/epje/i2007-10332-y
• 发表时间: 2008-08-01
• 期刊: EUROPEAN PHYSICAL JOURNAL E
• 影响因子: 1.8
• 作者: Nakayama, Y.;Kim, K.;Yamamoto, R.
• 通讯作者: Yamamoto, R.

Nonlinear rheology of particle dispersions by direct numerical simulation

通过直接数值模拟研究颗粒分散体的非线性流变学

• 发表时间: 2008
• 作者: Ryoichi;Yamamoto;Kang;Kim;Yasuya;Nakayama;Kunimasa;Miyazaki;Ryoichi Yamamoto;Ryoichi Yamamoto;Ryoichi Yamamoto;Takuya Iwashita
• 通讯作者: Takuya Iwashita