磁场对水内能作用的分子动力学模拟

将水系统视为正则系综 ,采用分子动力学模拟方法计算了磁场条件下水的内能、比热和径向分布函数。结果表明 ,磁场可以影响径向分布函数 g(r)的分布 ,使水的结构发生变化 ,从而导致水的内能、比热发生改变。水的内能、比热、径向分布函数伴峰的高度与磁场强度的关系均呈多极值特征 ,且在常温下磁感应强度为 0 .2 5T时 ,磁场作用最明显。

Molecular dynamics simulation on internal energy of water in magnetic field

Molecular dynamics simulations of water with 256 molecular under different magnetic fields are performed. The internal energy, specific heat and radial distribution function are calculated using the molecular dynamics simulation method. The results indicate that the relationship of internal energy,specific heat and the peak height of radial magnization destribution function with the magnetic field intensity is of multi extremum feature. The effect of magnization is the most distinct when the magnetic strength of field is 0.25T at the normal temperature.