蒙特卡罗方法是求解非线性方程组的一种有效的方法.我们采用F inn is-S incla ir型的嵌入原子势,并运用蒙特卡罗方法拟合了金属T a的平衡晶格常数、结合能、弹性常数、空位形成能,给出了此元素的多体势函数的参数.In this paper,we construct the interatomic many-body 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.福建省自然科学基金(Z0513004
