Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study
Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study
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冰/水界面的各向异性特性：分子动力学研究
DOI：
10.1143/jjap.34.583
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发表时间：
1995
影响因子：
1.5
通讯作者：
Yoshinori Furukawa Yoshinori Furukawa
中科院分区：
文献类型：
--
作者：
H. Nada;Yoshinori Furukawa Yoshinori Furukawa
使用分子动力学方法研究了冰/水界面结构。对冰{0001}/水和冰{101̄0}/水界面进行了模拟。结果强烈表明每个界面都具有扩散结构，并且界面区域的物理性质在界面之间彼此不同。本次分子动力学模拟首次观察到冰/水界面结构和动力学性质的各向异性，即界面之间结构和动力学性质的差异。
Ice/water interface structures were studied using a molecular dynamics method. The simulations were carried out for both ice {0001}/water and ice {101̄0}/water interfaces. The results strongly suggest that each interface has a diffuse structure and that the physical properties of the interfacial region differ from each other between the interfaces. The anisotropy in the structures and dynamic properties of ice/water interfaces, that is, the difference in the structures and dynamic properties between the interfaces were observed for the first time in this molecular dynamics simulation.