分子动力学(MD)作为一种成熟的微观模拟方法,在微观研究领域已经得到广泛应用。耗散粒子动力学(DPD)是以MD为基础衍生出的介观模拟方法,突破了MD对计算能力要求过高的限制,实现了更大尺度上的模拟。在对1873K液态纯铁进行MD模拟的基础上,将MD体系与DPD体系进行了对应,实现了在液态纯铁体系中进行DPD模拟。
Molecular Dynamics (MD) was widely used in micro scale research field. As a newly developed mesoscale simulation method derived from MD, Dissipative Particle Dynamics (DPD) had broken through the limit of computational cost in MD. Based on the MD simulation to liquid pure iron at 1873 K, a MD system was mapped onto DPD system, the simulation to liquid pure iron with DPD was achieved successfully.