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材料工程  2011 

bcc-Fe空位浓度对辐照损伤影响的分子动力学模拟

, PP. 15-18

Keywords: 中子辐照,分子动力学,空位浓度,位移级联,间隙原子团

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Abstract:

中子辐照引起的位移级联能在金属中产生各种缺陷。通过三维分子动力学方法模拟了bcc-Fe在不同空位浓度下中子辐照的位移级联过程。模拟结果表明,在空位浓度0%和初始碰撞原子能量5keV的情形下,位移级联过程会出现大量空位、间隙原子团等缺陷。经过0.5ps后点缺陷数量NF达到最大值1632,之后其逐渐减少,10ps后稳定在60。预置空位的存在加速了级联过程中点缺陷的湮灭。进一步的模拟指出,预置空位浓度越高,则点缺陷复合也就越快。这些结果有助于描述核反应堆结构钢的某些微观失效机理。

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