单晶钨辐照损伤的分子动力学研究

doi:10.7523/j.ucas.2022.087

摘要/Abstract

摘要： 在磁约束核聚变装置中，金属钨由于具有优良的物理化学性能被认为是目前最合适的面向等离子体材料，然而，有关金属钨在高能中子辐照下缺陷演化的研究尚不充分。鉴于此，采用分子动力学方法对单晶钨的辐照损伤演化进行大量模拟，考察入射能量、载荷和杂质原子对辐照演化过程，以及辐照缺陷对单晶钨力学性能的影响规律。结果表明：碳和氢原子在钨晶格中的滞留均在一定程度上增加了辐照缺陷的产生，而且，相比于氢，碳的影响更加显著；压缩载荷对辐照缺陷有一定的抑制作用，拉伸载荷则相反；辐照产生的Frenkel缺陷可以促进位错的发射，同时对位错的运动也具有阻碍作用。

关键词: 分子动力学, 粒子辐照, 金属钨, 面向等离子体材料

Abstract: Tungsten has been considered the most suitable plasma facing material in magnetic confinement fusion devices due to its excellent physical and chemical properties. However, studies on the defect evolution of tungsten metal under high-energy neutron irradiation are still insufficient. In this paper, the evolution of radiation damage in single crystal tungsten was simulated by using molecular dynamics method. The effects of incident energy, load, and impurity atoms on the evolution of radiation damage, as well as the effects of radiation defects on the mechanical properties of single crystal tungsten were investigated. The results show that the retention of carbon and hydrogen in the tungsten lattice increases the irradiation defects to some extent, with the effect of carbon being more significant than that of hydrogen. Compressive load has a certain inhibitory effect on irradiation defects, while tensile load has the opposite effect. Frenkel defects caused by irradiation can promote the emission of dislocations and hinder the movement of dislocations.

Key words: molecular dynamics, particle irradiation, tungsten, plasma facing material (PFM)

中图分类号:

O551.3

刘松畅, 余新刚. 单晶钨辐照损伤的分子动力学研究[J]. 中国科学院大学学报, 2024, 41(4): 452-460.

LIU Songchang, YU Xin'gang. Molecular dynamics study on irradiation damage of single crystal tungsten[J]. Journal of University of Chinese Academy of Sciences, 2024, 41(4): 452-460.

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