Molecular dynamics simulation of helium damage in copper
-
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.
-
Key words:
- helium /
- radiation damage /
- molecular dynamics simulation /
- copper
-
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）
-
[1] Pitcher C S, Stangeby P C. Experimental divertor physics[J]. Plasma Physics and Controlled Fusion, 1997, 39(6): 779-930. doi: 10.1088/0741-3335/39/6/001 [2] 陶余强. EAST辐射偏滤器与高约束的兼容性研究[D]. 合肥: 中国科学技术大学, 2022Tao Yuqiang. Study on the compatibility of radiative divertor with high confinement in EAST tokamak[D]. Hefei: University of Science and Technology of China, 2022 [3] 郝嘉琨. 聚变堆材料[M]. 北京: 化学工业出版社, 2007Hao Jiakun. Fusion reactor materials[M]. Beijing: Chemical Industry Press, 2007 [4] Khiara N, Onimus F, Jublot-Leclerc S, et al. In-situ TEM irradiation creep experiment revealing radiation induced dislocation glide in pure copper[J]. Acta Materialia, 2021, 216: 117096. doi: 10.1016/j.actamat.2021.117096 [5] Li Min, Hou Qing, Cui Jiechao, et al. Comparative studies of helium behavior in copper and tungsten using molecular dynamics simulations[J]. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2020, 463: 30-39. [6] Yang Yun, Frazer D, Balooch M, et al. Irradiation damage investigation of helium implanted polycrystalline copper[J]. Journal of Nuclear Materials, 2018, 512: 137-143. doi: 10.1016/j.jnucmat.2018.09.022 [7] 李博. 金属铜中辐照损伤的分子动力学模拟[D]. 合肥: 中国科学技术大学, 2016Li Bo. Molecular dynamics simulation of irradiation damage in Cu[D]. Hefei: University of Science and Technology of China, 2016 [8] 王建国. 铜辐照碰撞级联过程的分子动力学仿真[D]. 合肥: 合肥工业大学, 2003Wang Jianguo. Molecular dynamics modeling of radiation collision cascades course in copper[D]. Hefei: Hefei University of Technology, 2003 [9] Rowcliffe A F, Garrison L M, Yamamoto Y, et al. Materials challenges for the fusion nuclear science facility[J]. Fusion Engineering and Design, 2018, 135: 290-301. doi: 10.1016/j.fusengdes.2017.07.012 [10] Cottrell G A. A survey of plasma facing materials for fusion power plants[J]. Materials Science and Technology, 2006, 22(8): 869-880. doi: 10.1179/174328406X111110 [11] 张崇宏. 聚变堆候选金属材料的惰性气体离子辐照损伤的研究[J]. 原子核物理评论, 2006, 23(2):167-169 doi: 10.3969/j.issn.1007-4627.2006.02.019Zhang Chonghong. Damage production by inert-gas-ion irradiation in some candidate materials to fusion reactors[J]. Nuclear Physics Review, 2006, 23(2): 167-169 doi: 10.3969/j.issn.1007-4627.2006.02.019 [12] Harrison R W, Greaves G, Hinks J A, et al. A study of the effect of helium concentration and displacement damage on the microstructure of helium ion irradiated tungsten[J]. Journal of Nuclear Materials, 2017, 495: 492-503. doi: 10.1016/j.jnucmat.2017.08.033 [13] Kittel C. Introduction to solid state physics[M]. 8th ed. New York: John Wiley & Sons, 2004. [14] Zhou X W, Johnson R A, Wadley H N G. Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers[J]. Physical Review B, 2004, 69: 144113. doi: 10.1103/PhysRevB.69.144113 [15] Chizmeshya A, Zaremba E. The interaction of rare gas atoms with metal surfaces: a scattering theory approach[J]. Surface Science, 1992, 268(1/3): 432-456. [16] Stukowski A. Visualization and analysis of atomistic simulation data with OVITO-the open visualization tool[J]. Modelling and Simulation in Materials Science and Engineering, 2010, 18: 015012. doi: 10.1088/0965-0393/18/1/015012 [17] Zhang Baoling, Fang Shuoyang, Wang Jun, et al. Study on helium bubble coalescence in the slip plane of titanium[J]. Fusion Science and Technology, 2021, 77(6): 437-445. doi: 10.1080/15361055.2021.1927583 -
下载:
点击查看大图
计量
- 文章访问数: 429
- HTML全文浏览量: 174
- PDF下载量: 66
- 被引次数: 0
