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摘要: 用分子动力学模拟和与固氦实验等温线比较的方法，确定了高密度氦指数6势函数中劲度系数的优选值为12.7。然后我们用这个新的值计算了fcc固氦的状态方程及其径向分布函数，发现当把限定为1.60 g/cm3时，其径向分布函数的第二个峰将在2 000 K到3 040 K区间消失，表明此时固氦的长程有序性降低，或者说发生了固-液相变过程。Abstract: The optimized value of =12.7, which is the stiffness parameter in exponential 6 potential function used for describing the compression behavior of dense helium, is determined by means of molecular dynamics simulation and makes comparison with the experimental isotherm of solid helium. Then, we adopt this new value of to calculate the equation of state and the radial distribution function for fcc solid helium at high temperatures, and find while =1.60 g/cm3 the second peak of the radial distribution function would disappear in the regime of 2 000 K to 3 040 K. It demonstrates the long-rang degree of order is degraded or the solid-liquid transition occurs under that condition.
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