经典动态密度泛函理论:从基础到应用

IF 35 1区 物理与天体物理 Q1 PHYSICS, CONDENSED MATTER
M. te Vrugt, H. Löwen, R. Wittkowski
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引用次数: 114

摘要

经典动态密度泛函理论是现代统计力学的基石之一。它是经典密度泛函理论(DFT)在非平衡系统中的成功推广。DDFT最初是为处理简单和复杂的流体而开发的,现在已应用于流体力学、材料科学、化学、生物学和等离子体物理学等领域。在这篇综述中,我们给出了经典DDFT的广泛概述。我们解释了它的理论基础和推导的方法。阐明了不同形式的确定性DFT和随机DDFT之间的关系,以及DDFT与相关理论(如量子力学时变DFT、模式耦合理论和相场晶体模型)之间的关系。此外,我们还讨论了DDFT的广泛扩展,其中包括具有附加阶参数的方法(如扩展DDFT),精确方法(如幂泛函理论)以及具有更复杂动力学的系统(如活性物质)。最后,介绍了各种各样的应用,从流体力学和聚合物物理到凝固、图案形成、生物物理学和电化学。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Classical dynamical density functional theory: from fundamentals to applications
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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来源期刊
Advances in Physics
Advances in Physics 物理-物理:凝聚态物理
CiteScore
67.60
自引率
0.00%
发文量
1
期刊介绍: Advances in Physics publishes authoritative critical reviews by experts on topics of interest and importance to condensed matter physicists. It is intended for motivated readers with a basic knowledge of the journal’s field and aims to draw out the salient points of a reviewed subject from the perspective of the author. The journal''s scope includes condensed matter physics and statistical mechanics: broadly defined to include the overlap with quantum information, cold atoms, soft matter physics and biophysics. Readership: Physicists, materials scientists and physical chemists in universities, industry and research institutes.
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