Free power dissipation from functional line integration

被引:9
作者
Brader, Joseph M. [1 ]
Schmidt, Matthias [2 ]
机构
[1] Univ Fribourg, Dept Phys, Soft Matter Theory, CH-1700 Fribourg, Switzerland
[2] Univ Bayreuth, Inst Phys, Theoret Phys 2, Bayreuth, Germany
关键词
density functional theory; dynamical density functional theory; liquid state structure; Brownian dynamics; perturbation theory; FREE-ENERGY MODEL; DENSITY; LIQUID; FLUID; SHEAR;
D O I
10.1080/00268976.2015.1042086
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Power functional theory provides an exact generalisation of equilibrium density functional theory to non-equilibrium systems undergoing Brownian many-body dynamics. Practical implementation of this variational approach demands knowledge of an excess (over ideal gas) dissipation functional. Using functional line integration (i.e. the operation inverse to functional differentiation), we obtain an exact expression for the excess free power dissipation, which involves the pair interaction potential and the two-body, equal-time density correlator. This provides a basis for the development of approximation schemes.
引用
收藏
页码:2873 / 2880
页数:8
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