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Investigation of the temperature effect on the primary radiation damage near the grain boundary in tungsten using Molecular dynamics simulations
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms ( IF 1.4 ) Pub Date : 2020-05-13 , DOI: 10.1016/j.nimb.2020.04.030
Han Zhao , Xiangguo Zeng , Xin Yang , Wenjun Chen , Jingbo Wu

Molecular dynamics (MD) simulations were conducted to investigate the influence of temperature on primary radiation damage in tungsten (W). By investigating on the number of surviving defects, it was suggested that the increment of temperature improved the radiation resistance of the W, which was further improved with the existence of grain boundaries (GBs). Second, the maximum average kinetic energy of all of the atoms in the GB comprehensively reflected the influences of the temperature, the primary knock-on atom (PKA) energy, and the distance between the PKA and GB on the overlap of the cascade center and the GB. Thus, it could be regarded as a quantitative factor that explained the GB influence on the evolution of the interstitials. Finally, the size distribution of the interstitial clusters exhibited negative correlation with the temperature. In contrast, when the temperature rose above 900 K, the size of the vacancy cluster increased with temperature.



中文翻译:

用分子动力学模拟研究温度对钨晶界附近主要辐射损伤的影响

进行了分子动力学(MD)模拟以研究温度对钨(W)中主要辐射损伤的影响。通过研究残存缺陷的数量,可以认为温度的升高提高了钨的抗辐射性,并随着晶界(GBs)的存在而进一步提高。其次,GB中所有原子的最大平均动能全面反映了温度,主敲除原子(PKA)能量以及PKA与GB之间的距离对级联中心和原子重叠的影响。 GB。因此,可以将其视为解释GB对插页式广告的影响的定量因素。最后,间隙簇的尺寸分布与温度呈负相关。

更新日期:2020-05-13
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