arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2003.07327cond-mat.stat-mech
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用动态密度泛函理论模拟非弹性颗粒介质

Modelling inelastic granular media using Dynamical Density Functional Theory

B. D. Goddard, T. D. Hurst, R. Ocone

摘要:

利用动力学密度泛函理论(DDFT)建立了一个新的颗粒介质介观模型.该模型包括一个碰撞算子,将非弹性和亥姆霍兹自由能功能,以考虑外部潜力,粒子间相互作用和体积排斥。我们使用事件驱动的微观模拟的统计数据来确定的参数不解析用于推导DDFT的封闭关系。我们用数值方法证明了DDFT中每一项的重要作用,以及包括一个精确参数化的对关联函数的重要性。

英文摘要:

We construct a new mesoscopic model for granular media using Dynamical Density Functional Theory (DDFT). The model includes both a collision operator to incorporate inelasticity and the Helmholtz free energy functional to account for external potentials, interparticle interactions and volume exclusion. We use statistical data from event-driven microscopic simulations to determine the parameters not given analytically by the closure relations used to derive the DDFT. We numerically demonstrate the crucial effects of each term in the DDFT, and the importance of including an accurately parametrised pair correlation function.

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