Development and application of the simulation method of dissipative particle dynamics
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摘要:
耗散粒子动力学(dissipative particle dynamics,DPD)模拟方法是一门新兴的介观尺度数值模拟技术,是研究复杂物系介观结构的一种重要手段,也是联系宏观尺度和微观尺度的重要模拟方法之一.首先介绍DPD模拟方法的提出和它的发展过程;接着从DPD的理论模型、数值积分方法、参数的选择以及模拟系统与真实系统之间的映射关系4个方面介绍DPD的方法体系;然后介绍DPD模拟方法在复杂流体中的应用情况,具体包括多相流的聚集、微相分离和液滴的变形、破碎以及微通道内的流动等;最后, 对此领域的发展方向进行了预测分析.
Abstract:The simulation ofdissipative particle dynamics (DPD) is a new mesoscale numericsimulation technique. DPD is one of the most important methods forthe study mesoscopic structure of complex systems, and is also oneof important methods linking macroscale with microscalesimulation. The present paper first reviews the development ofDPD, and then elaborates the methodology of DPD, includingtheoretical model, numeric integration methods, selection ofparameters and mapping the simulatied system to the real one.Thirdly, the applications of DPD to the simulation of complexfluid systems are presented, involving assembly of multiphaseflow, separation of microphase, distortion and crash of drops,flows in microchannel and so on. Finally, the current problems andfuture trends are discussed.
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