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利用分子动力学模拟方法分别研究了空位、自间隙杂质原子、杂质He原子等缺陷对金属Ti样品的力学性能的影响.对完整晶格的金属Ti在不同拉伸应变速率下的应力-应变曲线进行计算,发现拉伸过程可分为弹性形变、塑性形变及断裂3个阶段.分别研究了含有不同浓度的空位、自间隙杂质原子、杂质He原子缺陷的金属Ti样品在2×109s-1拉伸应变速率下的应力-应变曲线,并对不同情况下的Young’s模量进行了统计.还分别对含有自间隙杂质原子和杂质He原子的金属Ti的拉伸断裂过程进行了观察与分析.
The effects of vacancy, self-interstitial impurity atoms, impurity He atoms and other defects on the mechanical properties of Ti metal samples were investigated by molecular dynamics simulations. The stress-strain curves of Ti with different lattice strain rates The results show that the tensile process can be divided into three stages of elastic deformation, plastic deformation and fracture.The metal Ti samples containing different concentrations of vacancies, interstitial impurity atoms and impurity He atomic defects were studied at 2 × 109 s-1 Stress-strain curve under tensile strain rate and statistics of Young’s modulus under different conditions were also observed.The tensile fracture process of metal Ti containing self-interstitial impurity atoms and impurity He atoms were also observed and analyzed respectively.