Nonequilibrium Ornstein-Zernike relation for Brownian many-body dynamics.
Nonequilibrium Ornstein-Zernike relation for Brownian many-body dynamics.
复制标题
布朗多体动力学的非平衡 Ornstein-Zernike 关系。
DOI：
10.1063/1.4820399
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发表时间：
2013
期刊：
影响因子：
--
通讯作者：
M. Schmidt
中科院分区：
文献类型：
--
作者：
J. Brader;M. Schmidt
我们推导出经典流体的动态Ornstein-Zernike方程进行过阻尼布朗运动和驱动出平衡。非均匀的两个时间相关函数获得从功能分化的单体密度和电流相对于一个适当选择的外场。泛函微积分自然地导出了两次微分方程的非马尔可夫运动方程。记忆功能被确定为一个空间和时间的非局部功率耗散功能的功能衍生物。我们提出了一个多余的（超过理想气体）耗散功能，既产生模式耦合理论的两体相关性和扩展的动力学密度泛函理论的单体领域，从而统一这两种方法。
We derive a dynamic Ornstein-Zernike equation for classical fluids undergoing overdamped Brownian motion and driven out of equilibrium. Inhomogeneous two-time correlation functions are obtained from functional differentiation of the one-body density and current with respect to an appropriately chosen external field. Functional calculus leads naturally to non-Markovian equations of motion for the two-time correlators. Memory functions are identified as functional derivatives of a space- and time-nonlocal power dissipation functional. We propose an excess (over ideal gas) dissipation functional that both generates mode-coupling theory for the two-body correlations and extends dynamical density functional theory for the one-body fields, thus unifying the two approaches.