基于计算机仿真的Fe-Cu合金基体损伤分子动力学研究  

Molecule Dynamics Research on Damage of Fe-Cu Alloy Substrate Based on Computer Simulation

作　　者：郑少京[1] 程伟[2] 

机构地区：[1]北京电子科技职业学院,北京100026 [2]北京航空航天大学,北京100026

出　　处：《铸造技术》2013年第10期1281-1283,共3页Foundry Technology

基　　金：北京市科技厅重点科技攻关计划基金资助项目(102102210401)

摘　　要：以Fe-Cu合金为研究对象,利用分子动力学仿真软件建立了辐照所导致的缺陷结构模型,研究了缺陷特征能、辐照温度对空位团簇以及间隙原子团簇份额的影响等。结果表明:Fe-Cu合金在辐照条件下由于级联碰撞产生缺陷,Cu对产生缺陷的复合、湮灭以及数量影响很小,但能够降低空位迁移能,辐照温度对空位团簇份额和间隙原子团簇份额有显著影响。随着辐照温度的升高,两个团簇份额均出现先升高后下降的变化趋势。A model about defect structure derived from irradiation was established using molecular dynamics simulation software. The questions on the defect features, irradiation temperature of vacancy clusters and the effect of interstitial atom clusters in Fe-Cu alloy were investigated. The results show that the defects emerge in Fe-Cu alloy when irradiated due to cascade collision. The effect of Cu on the composition, annihilation and number of defects is weak, but it can decrease vacancy migration energy. And the effect of irradiation temperature on both the vacancy cluster and interstitial atom cluster fi＇action are obvious. Both of the clusters increase firstly and then decrease with raising irradiation temperature.

关 键 词：Fe-Cu合金 计算机仿真 辐照温度 

分 类 号：TG111[金属学及工艺—物理冶金] TP391.9[金属学及工艺—金属学]