金属锆中离位级联碰撞的分子动力学模拟

The Molecular Dynamics-based Research on the Displacement Cascades in Zirconium

采用分子动力学方法模拟研究了金属锆中离位级联碰撞过程。分析发现,在相同条件下,声-电耦合特征时间对缺陷的分布和数目几乎没有影响,而随着初始离位能的增加,将推迟热峰的出现时间,最大缺陷数目增多。说明初始离位能的增加会使辐照损伤加剧。

The displacement cascades in Zirconium are studied by the means of molecular dynamic（MD）simulation. The results indicate that the space distribution and number of defects are unaffected by the time of E-P coupling under the same condition. With the increase of PKA energy,the occurrence of thermal peak stage will be delayed and more atoms displaced away from their normal lattice sites at peak time will be produced.