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首页> 外文期刊>Nuclear Instruments & Methods in Physics Research. B, Beam Interactions with Materials and Atoms >Effect of lead atom penetration on displacement cascade in bcc iron studied by molecular dynamics simulation
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Effect of lead atom penetration on displacement cascade in bcc iron studied by molecular dynamics simulation

机译：铅原子渗透对分子动力学模拟研究的BCC铁中位移级联的影响

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摘要

Displacement cascades in bcc Fe-Pb solid solution are studied by molecular dynamics (MD) simulations. The Fe-Pb alloy model with different Pb concentrations was set as the Pb penetration structure of iron-based materials in actual working conditions. The results show that Pb atom penetration enhances the radiation damage of displacement cascades in Fe. The number of stable point defects in Fe-Pb alloy increases significantly, varies with Pb concentration and PKA energy. The differences of defect recombination rate are obvious under different Pb concentrations. Point defect analysis results indicate that there are rules in the relation between the interstitial and vacancy of two elements. Besides, unconnected cascade collision is found in Fe-Pb model under 10 keV, and the size of the subcascade affects the formation of cluster. The cluster results show that the interstitial form clusters easier and larger than vacancy, the PKA energy and Pb concentration can influence the size of clusters.
机译：通过分子动力学（MD）模拟研究了BCC Fe-PB固体溶液中的位移级联。具有不同PB浓度的Fe-PB合金模型被设定为实际工作条件下的铁基材料的PB渗透结构。结果表明，PB原子渗透增强了Fe中位移级联的辐射损伤。 Fe-Pb合金中稳定点缺陷的数量显着增加，与PB浓度和PKA能量不同。在不同的Pb浓度下，缺陷重组率的差异是显而易见的。点缺陷分析结果表明，两个元素的间隙和空位之间存在规则。此外，在10keV下的FE-PB模型中发现了未连接的级联碰撞，并且子气体的大小会影响集群的形成。聚类结果表明，间隙形式集群比空缺更容易，PKA能量和PB浓度可以影响簇的尺寸。

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