【摘要】 为了从原子尺度弄清楚因辐射损伤而出现的第二相铜沉淀物对位错运动状况的影响,在Osetsky模型和Malerba势能基础上,通过共轭梯度法进行能量最小化,对BCC铁中刃型位错与铜沉淀物的相互作用进行了模拟。再现作用过程的同时,重点探讨了铜沉淀物直径、间距等因素对相互作用的影响,并将模拟结果与连续体理论模型进行了对比分析。结果表明:铜沉淀物直径越大,相互作用越强,位错越难越过沉淀物。而铜沉淀物间距越大,位错越容易越过沉淀物,Malerba势能下的模拟结果相比Ackland势能下的模拟结果与连续体理论模型结果相符得更好。更多还原

【Abstract】 To understand the precipitates strengthening mechanicals at atomic-level,a model developed by Osetsky is adopted to study the interaction of edge dislocation with copper precipitates in bcc iron using conjugate gradient method and a new Fe-Cu potential mentioned by Malerba.The interaction mechanism is narrated and the effects coming from precipitates diameter and precipitates distance are discussed.Finally,the new results from atomic modelling are compared with Osetsky’s former work and continuum treatments.It is clearly showed that the intensity of the precipitates strengthening is increasing with the increase of copper precipitates diameter,and decreasing with the increase of the distance of copper precipitates.更多还原