School of Chemical Engineering and Analytical Science, The University of Manchester, P.O. Box 88, Sackville Street, Manchester M60 1QD, United Kingdom.
J Chem Phys. 2010 Mar 14;132(10):104509. doi: 10.1063/1.3354115.
Molecular dynamics and Monte Carlo simulations are performed for four- and five-dimensional hard hyperspheres at a variety of densities, ranging from the fluid state to the solid regime of A(4), D(4), D(4)*, and D(5) lattices. The equation of state, the radial distribution functions, and the average number of hyperspheres in a coordination layer are determined. The equations of state are in excellent agreement with values obtained from both theoretical approaches and other simulations. The results for the average number of hyperspheres in a coordination layer are in agreement with the theoretical predictions for the different lattices. The radial distribution function gives better insight about the fluid to solid transition than the equation of state.
对四种和五种维硬超球在多种密度下进行了分子动力学和蒙特卡罗模拟,范围从 A(4)、D(4)、D(4)*和 D(5)晶格的流体状态到固体状态。确定了状态方程、径向分布函数和配位数层中的超球平均数量。状态方程与从理论方法和其他模拟获得的值非常吻合。配位数层中平均超球数量的结果与不同晶格的理论预测一致。与状态方程相比,径向分布函数能更好地洞察流体到固体的转变。