硬球-拟颗粒耦合模拟超声速流动  

Simulation of supersonic flow with hard-sphere/pseudo-particle modeling(HS-PPM)

作　　者：张成龙[1,2] 沈国飞[1,2] 葛蔚[1,2] 

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]中国科学院大学化学化工学院,北京100049

出　　处：《计算机与应用化学》2016年第11期1135-1144,共10页Computers and Applied Chemistry

摘　　要：超声速流动广泛存在于航天航空和能源动力等领域,其中连续介质假设往往不再适用,需要充分考虑介质的离散性质。但传统上基于软球模型的分子动力学(MD)方法对于流动过程的模拟计算量过大,难以实际应用。本文利用硬球-拟颗粒耦合方法克服了软球MD方法计算量大和硬球MD方法可扩展性差的缺点,高效实现了超声速流动的微观离散模拟。通过超声速单球绕流和充气式返回舱实验装置等算例表明了该方法模拟含激波等剧烈变化的流场的可行性,以及在航空航天等工程领域的应用前景。Supersonic flow is widely encountered in areas such as aviation and aerospace, energy and power industries, where the con- tinuum hypothesis is not always valid and the molecular discrete nature of the flow should be considered. However, traditional soft-sphere （SS） based molecular dynamics （MD） methods are computationally too costly for real applications, due to unavoidable posi- tion-updating operations in time-driven algorithms; whereas hard-sphere （HS） based MD methods, although efficient, are not scalable at large scales due to the intrinsic serial nature of their event-driven algorithms. In this paper, with a time-driven hard-sphere modeling approach, pseudo-particle modeling （PPM）, introduced to provide buffering areas separating many HS simulation domains, highly ac- curate, efficient and scalable discrete simulation of supersonic flow is achieved at molecular level. With examples of supersonic flow past single particles and an IRVE （Inflatable Reentry Vehicle Experiment）, the feasibility of this coupled method, HS-PPM, for flow with abrupt changes, such as shockwaves, is demonstrated, and the prospect of its engineering applications is suggested.

关 键 词：分子动力学模拟 硬球模型 拟颗粒模拟 超声速流动 

分 类 号：O354[理学—流体力学] O561[理学—力学]