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arXiv 1408.0936cond-mat.softcond-mat.stat-mech
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布朗多体动力学中的超绝热力

Superadiabatic forces in Brownian many-body dynamics

Andrea Fortini, Daniel de las Heras, Joseph M. Brader, Matthias Schmidt

摘要:

非平衡多体动力学的理论方法通常依赖于绝热假设,其中真实的动力学被表示为一系列的平衡态。超越这种简单的近似是一个众所周知的困难问题。对于经典布朗多体动力学的情况下,我们提出了一种模拟方法,允许隔离和精确地评估超绝热相关性和所产生的力。应用该方法的一维硬粒子系统揭示了动力学的重要性,以及这些非平凡的平衡贡献的复杂性。我们的发现有助于澄清动态密度泛函理论的现状,并为改进理论的发展提供了合理的依据。

英文摘要:

Theoretical approaches to nonequilibrium many-body dynamics generally rest upon an adiabatic assumption, whereby the true dynamics is represented as a sequence of equilibrium states. Going beyond this simple approximation is a notoriously difficult problem. For the case of classical Brownian many-body dynamics we present a simulation method that allows to isolate and precisely evaluate superadiabatic correlations and the resulting forces. Application of the method to a system of one-dimensional hard particles reveals the importance for the dynamics, as well as the complexity, of these nontrivial out-of-equilibrium contributions. Our findings help clarify the status of dynamical density functional theory and provide a rational basis for the development of improved theories.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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