Molecular dynamics simulation of helium damage in copper
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摘要: 采用分子动力学方法模拟了金属铜的氦辐照损伤，在原子尺度上观察氦辐照下铜金属微结构的变化过程，分析并对比了单晶铜与多晶铜的微结构和力学性能随氦原子数增加的变化情况。结果表明，随原子数增加，单晶铜的缺陷对数目呈规律性地先增加后减少，且峰值不断增高；多晶铜的缺陷对数目呈上升趋势，但波动规律不明显。拉伸性能测试显示，氦辐照会导致铜的屈服强度降低，当氦原子分数达0.54%时，单晶铜和多晶铜的屈服强度分别下降46.94%和49.2%。Abstract: The helium radiation damage of copper was simulated by using the molecular dynamics method, and the change process of copper microstructure under helium irradiation was observed on the atomic scale. The changes of the microstructure and mechanical properties of copper induced by helium radiation were analyzed, and the single crystal copper and the polycrystalline copper were compared. It is found that, the number of defect pairs in single crystal copper increases first and then decreases with the increasing number of helium atoms, and the peak value increases continuously. The number of defect pairs of polycrystalline copper continues to increase, but the fluctuation rule is not obvious. The tensile property test shows that the yield strength of copper is reduced because of the helium radiation. When the helium atom content reaches 0.54%, the yield strength of single crystal copper and polycrystalline copper is reduced by 46.94% and 49.2% respectively.
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Key words:
- helium /
- radiation damage /
- molecular dynamics simulation /
- copper
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图 2 单晶铜中缺陷对数目与氦原子数的关系
Figure 2. Dependence of the defect pairs number in single crystal copper on the number of helium atoms
图 3 单晶铜中氦原子数为150时缺陷的演化
Figure 3. Defects evolution in single crystal copper with 150 helium atoms
图 4 多晶铜中缺陷对数目与氦原子数的关系
Figure 4. Dependence of the defect pairs number in polycrystalline copper on the number of helium atoms
图 5 氦数目对铜的拉伸力学性能影响
Figure 5. Effect of helium atoms on the tensile mechanical properties of copper
图 6 单晶铜拉伸性能测试过程中位错的变化（氦原子数为275）
Figure 6. Dislocation variation of single crystal copper during tensile property test（275 helium atoms）
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