原子能科学技术2017，Vol.51Issue(2)：200-208,9.DOI:10.7538/yzk.2017.51.02.0200
反应堆压力容器钢中溶质元素空位型扩散机理研究
Vacancy-mediated Diffusion Mechanism of Solute Element in Reactor Pressure Vessel Steel
摘要
Abstract
The diffusion of solutes in reactor pressure vessel (RPV) steel,accompanied with point defects,will result in the formation of precipitation and segregation on grain boundary,which will cause the hardening and embrittlement of materials.In order to deeply understand the performance degradation of RPV steel,the knowledge on solute diffusion mechanism is required.The vacancy-mediated diffusion mechanism of major solutes in RPV steel was studied by molecular dynamics method.Firstly,solute-vacancy interactions were studied.Subsequently,based on multi-frequency model,the vacancy drag factor and diffusion coefficient were calculated.The results show that Cu and P have strong binding energies with vacancies both in the first nearest neighbor (1nn) and the second nearest neighbor (2nn),and Ni has stronger binding energy with 2nn vacancy than 1nn vacancy.The vacancy drag factor increases with temperature,which means that solutes diffuse by exchanging with vacancy at high temperature.关键词
反应堆压力容器钢/扩散机理/分子动力学/多频模型/扩散系数Key words
reactor pressure vessel steel/diffusion mechanism/molecular dynamics/multi-frequency model/diffusion coefficient分类
能源科技引用本文复制引用
贺新福,王东杰,贾丽霞,吴石,豆艳坤,杨文..反应堆压力容器钢中溶质元素空位型扩散机理研究[J].原子能科学技术,2017,51(2):200-208,9.基金项目
国家高技术研究发展计划资助项目(2015AA01A303) （2015AA01A303）
国家自然科学基金资助项目(51201184,11375270) （51201184,11375270）
大型先进压水堆核电站重大专项资助项目(2012ZX06004-005) （2012ZX06004-005）
