金属钛拉伸的分子动力学研究

Molecular Dynamics Simulation of Tension on Titanium

本文利用分子动力学的研究方法,采用了钛的嵌入式原子势,建立了沿[0001]晶向和[0110]方向拉伸模型,结果表明:两种方向的拉伸均包含弹性变形阶段、屈服阶段、颈缩阶段、断裂阶段。沿[0001]方向拉伸时,滑移系少,取向偏离软取向。变形时屈服强度为3.55GPa,屈服应变为0.063,断裂时的应变达到0.55。沿[0110]方向拉伸时滑移系多,取向接近软取向。变形的屈服强度为2.4 GPa,屈服应变为0.067,断裂时的应变达到1.2,沿[0110]的拉伸变形更容易进行,表现出的塑性更好。

Employing an embedded atomic potential（EAM）and molecular dynamic（MD） method,deformation of titanium along and model of tensile have been established.The results show that tensile process of both two direction contains four stages,elastic deformation,uniform plastic deformation,necking and fracture.The slip system is few and the orientation deviates the soft one when tension is applied along.The yielding stress and strain are 3.55 GPa and 0.095 respectively while the fracture strain is 0.55.For the tension along,the slip system is more and the orientation is close to soft one.The yielding stress and strain are 2.41 GPa and 0.067 respectively while the fracture strain is 1.28.The plastic deformation along tension is easier and the plasticity exhibits better.