Molecular dynamics simulation of irradiation damage in V and TiVTa multi-principal element alloy

Lijun Huang, Yuqing Zhao, Xun Guo*, Ke Jin

*此作品的通讯作者

科研成果: 书/报告/会议事项章节会议稿件同行评审

摘要

High entropy alloys with unique mechanical properties and irradiation resistance exhibit promising potentials as structural materials for advanced nuclear facilities. However, the formation behavior of irradiation defects in HEAs is still lacking of understanding. In this study, molecular dynamics simulations were employed to investigate the cascade collision of energetic ion in TiVTa and V, in order to compare the difference of their irradiation response. The results indicate that there is no significant difference in the initial stage of irradiation between these two materials, but as the irradiation damage accumulated, the residual defects in V is much more than in TiVTa, indicating that the recombination and annihilation rate of point defect in TiVTa is faster than in V. Mean square displacement calculations were also carried out to prove that self-interstitial atoms and vacancies have similar migration rate in TiVTa, therefore the self-interstitial atoms and vacancies produced in cascade collisions are more susceptible to combine and annihilate. These results will be helpful to unveil the mechanism of the irradiation response of HEAs.

源语言英语
主期刊名International Conference on Optoelectronic Information and Functional Materials, OIFM 2024
编辑Rachid Masrour, Xuemei Xu
出版商SPIE
ISBN(电子版)9781510680517
DOI
出版状态已出版 - 2024
活动2024 International Conference on Optoelectronic Information and Functional Materials, OIFM 2024 - Wuhan, 中国
期限: 19 4月 202421 4月 2024

出版系列

姓名Proceedings of SPIE - The International Society for Optical Engineering
13183
ISSN(印刷版)0277-786X
ISSN(电子版)1996-756X

会议

会议2024 International Conference on Optoelectronic Information and Functional Materials, OIFM 2024
国家/地区中国
Wuhan
时期19/04/2421/04/24

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