论文标题

经典的动态密度功能理论:从基础到应用

Classical dynamical density functional theory: from fundamentals to applications

论文作者

Vrugt, Michael te, Löwen, Hartmut, Wittkowski, Raphael

论文摘要

经典的动力学密度功能理论(DDFT)是现代统计力学的基石之一。它是经典密度功能理论(DFT)的非常成功的方法扩展到非平衡系统。 DDFT最初是为了治疗简单且复杂的流体,现在应用于水动力学,材料科学,化学,生物学和血浆物理学等多样性。在这篇评论中,我们对古典DDFT进行了广泛的概述。我们解释了其理论基础及其能够得出的方式。阐明了不同形式的确定性和随机DDFT以及DDFT与相关理论之间的关系,例如量子力学时间相关的DFT,模式耦合理论和相位场晶体模型。此外,我们讨论了DDFT扩展的广泛范围,该扩展涵盖了具有其他顺序参数(例如扩展DDFT),精确方法(例如功率功能理论)以及具有更复杂动力学(例如活动物质)的系统。最后,提出了从流体力学和聚合物物理学到凝固,模式形成,生物物理学和电化学的各种应用。

Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern statistical mechanics. It is an extension of the highly successful method of classical density functional theory (DFT) to nonequilibrium systems. Originally developed for the treatment of simple and complex fluids, DDFT is now applied in fields as diverse as hydrodynamics, materials science, chemistry, biology, and plasma physics. In this review, we give a broad overview over classical DDFT. We explain its theoretical foundations and the ways in which it can be derived. The relations between the different forms of deterministic and stochastic DDFT as well as between DDFT and related theories, such as quantum-mechanical time-dependent DFT, mode coupling theory, and phase field crystal models, are clarified. Moreover, we discuss the wide spectrum of extensions of DDFT, which covers methods with additional order parameters (like extended DDFT), exact approaches (like power functional theory), and systems with more complex dynamics (like active matter). Finally, the large variety of applications, ranging from fluid mechanics and polymer physics to solidification, pattern formation, biophysics, and electrochemistry, is presented.

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