硬球的事件驱动Langevin模拟
Event Driven Langevin simulations of Hard Spheres
摘要：
对胶体和纳米粒子的兴趣的蓬勃发展给了对刚体系统的研究新的动力。特别是，硬球已经成为理论和实验的真正测试系统。因此，有必要研究这种系统在溶剂存在下的复杂动力学;忽略流体动力学相互作用，最简单的模型是朗之万方程。不幸的是，朗之万方程的数值积分的标准算法要求相互作用在积分时间步期间缓慢变化。这不是硬体系统的情况，其中在噪声的相关时间和相互作用的时间尺度之间没有明确的界限。首先从分裂的Fokker-Plank算子与朗之万动力学，然后从两体格林函数的近似，我们介绍和测试两个新的算法模拟的朗之万动力学硬球。
英文摘要：
The blossoming of interest in colloids and nano-particles has given renewed impulse to the study of hard-body systems. In particular, hard spheres have become a real test system for theories and experiments. It is therefore necessary to study the complex dynamics of such systems in presence of a solvent; disregarding hydrodynamic interactions, the simplest model is the Langevin equation. Unfortunately, standard algorithms for the numerical integration of the Langevin equation require that interactions are slowly varying during an integration timestep. This in not the case for hard-body systems, where there is no clearcut between the correlation time of the noise and the timescale of the interactions. Starting first from a splitting of the Fokker-Plank operator associated with the Langevin dynamics, and then from an approximation of the two-body Green's function, we introduce and test two new algorithms for the simulation of the Langevin dynamics of hard-spheres.
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