Free power dissipation from functional line integration
Free power dissipation from functional line integration
复制标题
功能线集成无功耗
DOI：
10.1080/00268976.2015.1042086
复制
发表时间：
2015
影响因子：
1.7
通讯作者：
M. Schmidt
中科院分区：
文献类型：
--
作者：
J. Brader;M. Schmidt
幂泛函理论提供了平衡密度泛函理论在经历布朗多体动力学的非平衡系统中的精确推广。这种变分方法的实际实现需要了解过量（超过理想气体）耗散函数。利用函数线积分（即与函数微分相反的运算），我们得到了包含对相互作用势和两体等时密度相关器的自由功率耗散的精确表达式。这为近似格式的发展提供了基础。
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.