耗散粒子动力学及其应用的新进展  

The New Developments of Dissipative Particle Dynamics and its Applications

作　　者：唐元晖[1] 何彦东[1] 王晓琳[1] TANG Yuan-hui;HE Yan-dong;WANG Xiao-lin(State Key Laboratory of Chemical Engineering,Department of Chemical Engineering,Tsinghua University,Beijing 100084,China)

机构地区：[1]北京清华大学化学工程系化学工程国家重点实验室,北京100084

出　　处：《高分子通报》2012年第1期8-14,共7页Polymer Bulletin

基　　金：国家重点基础研究发展计划(973计划)(2009CB623401);国家高技术研究发展计划资助项目(863计划)((2009AA062901);北京市自然科学基金重大项目

摘　　要：耗散粒子动力学(dissipative particle dynamics,DPD),是1992年提出的一种针对于复杂流体的介观模拟方法,凭着相对于其它模拟方法的高计算效率以及能够模拟流体水力学行为的优势,目前已经成为研究复杂流体动力学行为的主要模拟方法之一,同时也是联系微观结构与宏观实验的重要桥梁,在辅助研究复杂流体性质方面起到了重要的作用,本文对这一模拟方法在近几年的发展及其应用做了全面的总结。首先介绍了近年来方法本身的改进和完善,接着详细总结了目前的应用研究热点。作为一种计算机实验工具,这种方法近年来在对复杂流体的研究上进展迅速,既能用于预测平衡过程的结构和性质,又能用于研究非平衡过程的动力学因素。Dissipative particle dynamics （DPD） is a mesoscopic simulation method which was first proposed in 1992 to study the properties of complex liquid. Because it involves hydrodynamics and behaves a higher calculating speed than other methods, now it has been one of the main simulation methods to research the hydrodynamic behaviors of complex liquid. This method has also become a bridge between the atomistic and macroscale level, and plays an important role in understanding the complex liquid properties. In this article, the developments of this simulation method and its applications during recent years have been fully reviewed. First, the improvements in these several years were summarized, and then the hot research areas were introduced in detail. As a computer experimental tool, this method can not only be used to predict the structure and properties of an equilibrium system, but also can be used to study the dynamics of a non-equilibrium process.

关 键 词：耗散粒子动力学 介观模拟 复杂流体 

分 类 号：O35[理学—流体力学]