论文标题

耗散粒子动力学的准确有效的分裂方法

Accurate and efficient splitting methods for dissipative particle dynamics

论文作者

Shang, Xiaocheng

论文摘要

我们研究了耗散粒子动力学(DPD)的数值方法,该方法是一种随机微分方程的系统和流行的随机动量支持恒温器,用于模拟中尺度上的复杂流体动力行为。我们提出了一种新的分裂方法,该方法能够实质上提高DPD模拟的准确性和效率,尤其是在极大的摩擦极限中,该摩擦极限与类似流体的Schmidt数字相对应,这是DPD中的关键问题。对平衡和传输特性进行了各种数值实验,以证明新提出的方法比文献中流行的替代方案的优越性。

We study numerical methods for dissipative particle dynamics (DPD), which is a system of stochastic differential equations and a popular stochastic momentum-conserving thermostat for simulating complex hydrodynamic behavior at mesoscales. We propose a new splitting method that is able to substantially improve the accuracy and efficiency of DPD simulations in a wide range of the friction coefficients, particularly in the extremely large friction limit that corresponds to a fluid-like Schmidt number, a key issue in DPD. Various numerical experiments on both equilibrium and transport properties are performed to demonstrate the superiority of the newly proposed method over popular alternative schemes in the literature.

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