Asymmetric self-diffusion with orientation-dependence of water molecule in finite timescale

• 作 者: Xu Wei Nan Sheng RongZheng Wan
• 机 构: ShanghaiInstituteofAppliedMathematicsandMechanics,DivisionofInterfacialWaterandKeyLaboratoryofInterf
• 出 处: 中国科学：物理学、力学、天文学英文版
• 发表日期: 2016年7期
• 关键词: 时间尺度 自扩散 水分子 非对称 分子动力学模拟 偶极子取向 时间依赖 水模型 water diffusion dipole orientation as
• 基金项目: We thank Drs. XueChuan Nie, Zhen Xu, and Zhi Zhu for valuable discussions and suggestions. This work was supported by the National Natural Science Foundation of China （Grant Nos. 11175230 and 11474299

Self-diffusion of water has been investigated by molecular dynamics simulations.It was found that the preference of the direction in self-diffusion of water is orientation dependent in a finite time.For a time of~100 ps,there are more possibilities for wa