基于修正的镶嵌原子势,采用分子动力学方法建立多粒子系统模型,研究了面心立方晶格(FCC)和体心立方晶格(BCC)纳米金属薄膜的力学性能和拉伸破坏过程,分析了不同晶格结构纳米金属薄膜在拉伸变形时的能量、应力和构型变化过程,得到纳米单晶镍和α-铁薄膜的弹性模量、断裂强度、屈服强度.模拟表明FCC薄膜的拉伸断裂符合Griffith断裂理论;BCC薄膜的断裂过程有较长屈服阶段,自由表面对初始弹性模量的软化作用明显.
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