在本文中,我们构造了金属Ta元素的Finnis-Sinclair型的嵌入原子势.并采用蒙特卡罗方法求解给出了此元素的多体势函数的参数.结果显示,本文拟合的参数能够较好的反映这种元素的结构特征和物理性质.

In this paper,we construct the interatomic manybody potential for the tantalum metal in the framework of the Finnis-Sinclair model,and determine the functions by fitting to the equilibrium lattice constant,sublimation energy,elastic constants,and vacancy-formation energy of the pure tantalum metal using Monte Carlo methods.