【作者】 郑颖； 杨新华； 姚浪；

【Author】 Ying Zheng;Xinhua Yang;Lang Yao;Department of Mechanics,Huazhong University of Science and Technology;

【机构】 华中科技大学力学系；

【摘要】 采用分子动力学模拟的方法,在中子辐射条件下模拟了含不同Cr浓度的FeCr合金的级联碰撞过程。级联碰撞模拟中初始离位原子的能量最高达到20keV.结果表明在纯铁和不同Cr浓度下的FeCr合金中平均残留的弗兰克尔缺陷对数和空位、自间隙原子在缺陷簇中所占比例近似的相同,也就是说就残留缺陷数而言Cr的存在没有显著影响级联反应的初始损伤状态。研究了关于残留的自间隙原子中Cr原子数的情况,数据表明,在低浓度Cr的FeCr合金中级联碰撞后残留的自间隙原子中,Cr原子所占的比例很大程度上超过模拟前FeCr合金中Cr的浓度。此外,模拟和分析了不同Cr浓度下FeCr合金级联碰撞的温度效应。更多还原

【Abstract】 The displacement cascades of neutron irradiation with various Cr concentrations in Fe-Cr alloy were simulated by molecular dynamics method.The cascades were induced by primary knock-on atoms with energies up to 20 keV.The results show that the average number of surviving Frankel pairs and the fraction of vacancies and self-interstitial atoms(SIA) in clusters was approximately the same in pure Fe and random Fe-Cr alloys(regardless of Cr concentration).That means the presence of Cr does not significantly influence the primary damage state,in terms of the number of surviving defects.The number of Cr atoms associated with survived self-interstitial defects was investigated.The data shows that in post-cascade area Cr fraction in interstitials greatly exceeds the alloy concentration in the cascade of low Cr concentration in Fe-Cr alloy.Moreover,the effect of temperature on displacement cascades in Fe-Cr alloy with different Cr concentrations was also simulated and analyzed.更多还原