论耗散粒子动力学的微观基础
On the microscopic foundation of dissipative particle dynamics
摘要：
基于介观粒子的流体模型，例如耗散粒子动力学，通常被假设为底层微观流体的粗粒度表示。一个基本的问题是，是否存在从这些系统中的微观粒子到相应的粗粒粒子的映射，使得粗粒系统具有与底层系统相同的体积和输运性质。在这封信中，我们调查的粗粒化的微观流体使用Voronoi型投影，已建议在几项研究。模拟结果表明，该投影无法定义与微观流体有物理意义联系的粗粒度颗粒。特别是，Voronoi投影产生相同的粗粒度的平衡性能时，适用于不同的微观相互作用和不同的散装性能的系统。
英文摘要：
Mesoscopic particle based fluid models, such as dissipative particle dynamics, are usually assumed to be coarse-grained representations of an underlying microscopic fluid. A fundamental question is whether there exists a map from microscopic particles in these systems to the corresponding coarse-grained particles, such that the coarse-grained system has the same bulk and transport properties as the underlying system. In this letter, we investigate the coarse-graining of microscopic fluids using a Voronoi type projection that has been suggested in several studies. The simulations show that the projection fails in defining coarse-grained particles that have a physically meaningful connection to the microscopic fluid. In particular, the Voronoi projection produces identical coarse-grained equilibrium properties when applied to systems with different microscopic interactions and different bulk properties.
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