Brader Joseph M, Schmidt Matthias
Soft Matter Theory, University of Fribourg, Avenue de l'Europe 20, CH-1700 Fribourg, Switzerland.
J Phys Condens Matter. 2015 May 20;27(19):194106. doi: 10.1088/0953-8984/27/19/194106. Epub 2015 Apr 29.
For classical Brownian systems both in and out of equilibrium we extend the power functional formalism of Schmidt and Brader (2013 J. Chem. Phys. 138 214101) to mixtures of different types of particles. We apply the framework to develop an exact dynamical test particle theory for the self and distinct parts of the van Hove function, which characterize tagged and collective particle motion. The memory functions that induce non-Markovian dynamics are related to functional derivatives of the excess (over ideal) free power dissipation functional. The method offers an alternative to the recently found nonequilibrium Ornstein-Zernike relation for dynamic pair correlation functions.
对于处于平衡态和非平衡态的经典布朗系统,我们将施密特和布拉德(2013年《化学物理杂志》138卷,214101页)的幂泛函形式主义扩展到不同类型粒子的混合物。我们应用该框架来发展一种精确的动力学测试粒子理论,用于描述范霍夫函数的自部分和不同部分,这些部分表征了标记粒子和集体粒子的运动。诱导非马尔可夫动力学的记忆函数与过量(相对于理想情况)自由功率耗散泛函的泛函导数相关。该方法为最近发现的动态对关联函数的非平衡奥恩斯坦 - 泽尔尼克关系提供了一种替代方案。