论文部分内容阅读
论文使用分子动力学软件包lammps并采用第二近邻改进型嵌入原子法(2NN MEAM)模拟了单晶氮化钛纳米杆的轴向拉伸破坏过程,分析了分别沿[100]、[111]晶向的不同截面尺寸、不同拉伸应变率、不同温度下的氮化钛纳米杆的力学性能,详细描述了氮化钛纳米杆拉伸变形过程.研究发现,拉伸晶向、截面尺寸、拉伸应变率及温度均会对TiN纳米杆的拉伸变形过程及屈服强度、弹性模量等力学性能产生不同程度的影响.不同拉伸条件下的氮化钛纳米杆的拉伸过程均包括弹性变形、塑性变形与断裂阶段.
In this paper, we use software package lammps and simulate the axial tensile failure process of single crystal titanium nitride nanorods by the second nearest neighbor modified inlaying atomic method (2NN MEAM) The results show that the tensile direction, the cross-sectional dimension, the cross-sectional area and the tensile strength of the TiN nano-rods are all described in detail. Tensile strain rate and temperature all affect the tensile deformation process and the mechanical properties such as yield strength and elastic modulus of TiN nanorods.The tensile process of TiN nanorods under different tensile conditions includes Elastic deformation, plastic deformation and fracture stage.