Structural Origin of Shear Viscosity of Liquid Water
Structural Origin of Shear Viscosity of Liquid Water
复制标题
液态水剪切粘度的结构起源
DOI：
10.1021/acs.jpcb.7b10893
复制
发表时间：
2018
影响因子：
3.3
通讯作者：
Tsuyoshi Yamaguchi
中科院分区：
文献类型：
--
作者：
Yamaguchi Tsuyoshi;Faraone Antonio;Nagao Michihiro;Tsuyoshi Yamaguchi
通过分子动力学模拟计算切应力与两体密度的相关关系，分析了液态水的微观结构与剪切粘度的关系。控制稳态剪切粘度的缓慢粘弹性松弛，归因于沿剪切变形压缩轴的氢键网络结构的破坏，这与各向同性静水压缩下的结构变化相似。这意味着液态水的剪切粘度反映了氢键网络的各向异性破坏-形成动力学。
The relation between the microscopic structure and shear viscosity of liquid water was analyzed by calculating the cross-correlation between the shear stress and the two-body density using the molecular dynamics simulation. The slow viscoelastic relaxation that dominates the steady-state shear viscosity was ascribed to the destruction of the hydrogen-bonding network structure along the compression axis of the shear distortion, which resembles the structural change under isotropic hydrostatic compression. It means that the shear viscosity of liquid water reflects the anisotropic destruction–formation dynamics of the hydrogen-bonding network.