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金属学报  2013 

hcp-Ti中辐照诱发缺陷演化及温度效应的分子动力学研究

DOI: 10.3724/SP.J.1037.2013.00007, PP. 530-536

Keywords: hcp-Ti,级联碰撞,分子动力学,辐照诱发缺陷,温度

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Abstract:

运用分子动力学方法研究了hcp-Ti中的级联碰撞.建立晶体结构模型,选取不同的初级碰撞原子方向和能量,分别研究了级联碰撞中所产生的点缺陷的演化情况,给出初始物理图景.对级联碰撞中的两大特征分布“离位峰”及“热峰”进行分析,定量讨论了损伤区瞬态温度分布,局部“熔化区域”的变化,辐照诱发峰值缺陷数和稳定缺陷数等,为分析材料辐照损伤行为提供了数据.本工作中运用的计算方法可作为研究材料辐照诱发缺陷形成微观机制的一个有效手段.

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