大规模粒子模拟并行前处理系统的设计与实现  

Design and implementation of parallel pre-processing system of large-scale particle simulation

作　　者：郭卫卫[1,2] 郭力[1] 

机构地区：[1]中国科学院过程工程研究所多相复杂系统国家重点实验室,北京100190 [2]中国科学陪研究生院,北京100049

出　　处：《计算机与应用化学》2010年第12期1598-1602,共5页Computers and Applied Chemistry

基　　金：国家自然科学基金资助项目(20821092);中国科学院创新项目(KGCX2-YW-124)

摘　　要：粒子模拟是目前化工、材料、生物等领域重要的研究手段之一。随着计算机软硬件的发展和大规模并行集群的出现,可模拟的粒子规模越来越大,模拟对象也越来越复杂。前处理是粒子模拟初始数据的生成环节,它负责将模拟对象转化为粒子系统,并按照模拟算例需求,将粒子数据输出为文件。前处理是连接模拟对象和模拟计算的纽带,是粒子模拟过程中关键的一步。本文提出的设计方案是首先使用BRLCAD建立模拟对象的三维模型,然后将三维模型转换为空间枚举,接着在空间枚举的规则块中填充粒子,同时通过使用元胞法检测粒子之间的冲突来保证粒子的合法性,最后根据粒子的类型和位置计算粒子的物性并将粒子数据输出到文件。本文根据该设计方案结合MPI并行计算技术,实现了大规模粒子模拟并行前处理系统,并进行了一系列的测试证明了该系统的实用性和可靠性。Particle simulation is an important research tool in Chemical Engineering,Materials Science,Biology and other fields.With the development of computer hardware and software and the emergence of large-scale parallel cluster,the size of particle simulation is increased,and the simulation objects are also more complex.Pre-processing is a key step for particle simulation,which generate and organize the initial data.This paper uses BRLCAD for three dimensional modeling and then pre-processes the model for filling particles.The particles must pass the collision detection by using cell method and their physical properties would be computed by using their types and locations.The parallel computing technology is adopted and a parallel pre-processing system for large-scale particle simulation is implemented.Finally,a series of testing is given to prove its reliability and practical.

关 键 词：粒子模拟 前处理 BRLCAD CSG 空间枚举 

分 类 号：O6-39[理学—化学] TP393[自动化与计算机技术—计算机应用技术]