摘要
为了从原子尺度理解钚的自辐照效应,本文采用分子动力学模拟方法,基于修正嵌入原子势和齐格勒-比尔扎克-利特马克势,研究了δ相钚-镓合金中由α衰变引起的原子级联碰撞,并考察了温度、镓、氦、位错的影响。研究结果表明:钚的自辐照损伤在高温下更为显著;镓和氦都会加剧钚的自辐照损伤;位错能够吸收点缺陷,发生攀移,形成一个割阶,从而抑制钚的自辐照损伤。本文研究成果可以为更大尺度的模拟提供重要的输入参数。
A molecular dynamics simulation based on the modified embedded atom method potential and Ziegler-Biersack-Littmark potential was employed to elucidate the self-irradiation effect of plutonium at an atomic scale.The atomic collision cascade due toα-decay events and the influence of temperature,gallium,helium,and disloca-tion were investigated.The simulation results revealed that the self-irradiation damage of plutonium is more critical at a high temperature;moreover,both gallium and helium aggravate the self-irradiation damage.Furthermore,dis-location could inhibit self-irradiation damage by absorbing point defects and climbing to form a jog structure.Thus,the results of this study can be utilized to provide inputs for large-scale simulations.
作者
卢焘
田新
王继虎
LU Tao;TIAN Xin;WANG Jihu(Beijing Aviation Meteorology Institute,Beijing 100085,China)
出处
《哈尔滨工程大学学报》
EI
CAS
CSCD
北大核心
2022年第11期1630-1635,共6页
Journal of Harbin Engineering University
关键词
钚
镓
氦
自辐照
间隙原子
空位
位错
分子动力学
plutonium
gallium
helium
self-irradiation
interstitial atom
vacancy
dislocation
molecular dynamics
作者简介
通信作者:卢焘,男,助理研究员,博士;田新,男,工程师,博士,E-mail:taolu@mail.ustc.edu.cn.
