Dynamical density functional theory for dense atomic liquids

被引:80
作者
Archer, A. J. [1 ]
机构
[1] Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England
基金
英国工程与自然科学研究理事会;
关键词
D O I
10.1088/0953-8984/18/24/004
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
Starting from Newton's equations of motion, we derive a dynamical density functional theory ( DDFT) applicable to atomic liquids. The theory has the feature that it requires as input the Helmholtz free energy functional from equilibrium density functional theory. This means that, given a reliable equilibrium free energy functional, the correct equilibrium fluid density profile is guaranteed. We show that when the isothermal compressibility is small, the DDFT generates the correct value for the speed of sound in a dense liquid. We also interpret the theory as a dynamical equation for a coarse grained fluid density and show that the theory can be used ( making further approximations) to derive the standard mode coupling theory that is used to describe the glass transition. The present theory should provide a useful starting point for describing the dynamics of inhomogeneous atomic fluids.
引用
收藏
页码:5617 / 5628
页数:12
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