分子动力学
磁场
氢键
化学物理
分子
水团
水模型
水的性质
扩散
径向分布函数
液态水
领域(数学)
化学
星团(航天器)
场强
材料科学
力场(虚构)
计算化学
热力学
物理
有机化学
量子力学
计算机科学
程序设计语言
纯数学
数学
作者
Kai-Tai Chang,Cheng‐I Weng
摘要
Through a series of molecular dynamics simulations based on the flexible three-centered water model, this study analyzes the structural changes induced in liquid water by the application of a magnetic field with a strength ranging from 1to10T. It is found that the number of hydrogen bonds increases slightly as the strength of the magnetic field is increased. This implies that the size of a water cluster can be controlled by the application of an external magnetic field. The structure of the water is analyzed by calculating the radial distribution function of the water molecules. The results reveal that the structure of the water is more stable and the ability of the water molecules to form hydrogen bonds is enhanced when a magnetic field is applied. In addition, the behavior of the water molecules changes under the influence of a magnetic field; for example, the self-diffusion coefficient of the water molecules decreases.
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