论文标题
极性液体的非线性电介质松弛
Nonlinear dielectric relaxation of polar liquids
论文作者
论文摘要
在许多温度下，两个水模型SPC/E和TIP3P的分子动力学用于测试通过Kirkwood因子连接单个粒子和集体介电松弛时间的Kivelson-Madden方程。该关系通过模拟确认，用于估计电场对介电松弛时间的非线性效应。我们表明，该场的主要作用是通过减慢单粒子旋转动力学的减慢，而田间诱导的柯克伍德因子变化的相对贡献对水来说是微不足道的。非线性介电弛豫的理论需要大多解释田间对极性液体中单个偶极子旋转的影响。
Molecular dynamics of two water models, SPC/E and TIP3P, at a number of temperatures is used to test the Kivelson-Madden equation connecting single-particle and collective dielectric relaxation times through the Kirkwood factor. The relation is confirmed by simulations and used to estimate the nonlinear effect of the electric field on the dielectric relaxation time. We show that the main effect of the field comes through slowing down of the single-particle rotational dynamics and the relative contribution of the field-induced alteration of the Kirkwood factor is insignificant for water. Theories of nonlinear dielectric relaxation need to mostly account for the effect of the field on rotations of a single dipole in a polar liquid.
