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本文通过分子动力学方法(MD),采用嵌入原子势法(EAM),沿[111]方向插入一层(011)半原子面形成位错,然后在模型中插入空洞,模拟了BCC铁中刃型位错与空洞相互作用,研究了空洞对位错运动的影响机理.模拟结果表明,当温度设定为10 K时,位错运动速度快,但空洞直径的大小对位错运动速度的影响不太明显,当高温设定为100 K时,由于位错线密度增大并随着空洞直径的增加位错运动速度减小,临界剪切应力也随着减小.最后将模拟计算结果与Osetsky的研究数据及连续体理论模型进行了对比分析.
In this paper, by using the molecular dynamics (MD) method, the embedded atomic potential (EAM) method is used to insert a layer of (011) semi-atomic dislocation along [111] direction to form dislocations and then insert holes into the model. Type dislocations and voids, the mechanism of the influence of voids on dislocation motion is studied.The simulation results show that the dislocation velocity is fast when the temperature is set to 10 K, but the influence of voids diameter on the dislocation velocity It is not obvious that when the temperature is set to 100 K, the critical shear stress decreases with the increase of dislocation linear density and the decrease of the velocity of dislocation as the diameter of the cavity increases.Finally, Osetsky’s research data and continuum theory model were comparatively analyzed.