【作者】 吴喜军； 肖德涛； 赵桂芝； 单键； 周青芝；

【Author】 WU Xi-Jun,XIAO De-Tao,ZHAO Gui-Zhi, SHAN Jian,ZHOU Qing-Zhi (School of Nuclear Science and Technology,University of South China,Hengyang of Hunan Prov.421001,China)

【机构】 南华大学核科学技术学院/氡湖南省重点实验室；

【摘要】 采用改进型EAM原子嵌入势,结合分子动力学方法,从原子尺度上研究FeCr合金在辐照损伤中产生的点缺险,获得了各种构型点缺陷的结合能和形成能,模拟研究表明:FeCr合金中Cr与第一近邻空位结合能最低(约60meV),自间隙挤塞子中<111>Fe-Cr具有最高的结合能,最稳定。更多还原

【Abstract】 From the atomic scale,using the modified analytical embedded atom potential combined with the molecular dynamics simulation to study the point defects of radiation damage in FeCr alloy,the bind energy and the formation energy about various kinds of point defects in alloy have been calculated,The results show that,in FeCr alloy,the bind energies of first-nearest neighbor of vacancy with Cr was minimum(about 60meV),in self-interstitial atoms,the<111>Fe-Cr configuration have the lowest energies will be the most stable.更多还原