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Main Authors: Wang, Jin, Luo, Fengping, Chen, Yiheng, Chen, Denghuang, Zhang, Bowen, Liu, Yuxin, Wang, Guangyu, Zhao, Yunbiao, Mao, Sheng, Chen, Mohan, Zhou, Hong-Bo, Xue, Jianming, Wang, Yugang, Wang, Chenxu
Format: Preprint
Published: 2026
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Online Access:https://arxiv.org/abs/2603.00867
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author Wang, Jin
Luo, Fengping
Chen, Yiheng
Chen, Denghuang
Zhang, Bowen
Liu, Yuxin
Wang, Guangyu
Zhao, Yunbiao
Mao, Sheng
Chen, Mohan
Zhou, Hong-Bo
Xue, Jianming
Wang, Yugang
Wang, Chenxu
author_facet Wang, Jin
Luo, Fengping
Chen, Yiheng
Chen, Denghuang
Zhang, Bowen
Liu, Yuxin
Wang, Guangyu
Zhao, Yunbiao
Mao, Sheng
Chen, Mohan
Zhou, Hong-Bo
Xue, Jianming
Wang, Yugang
Wang, Chenxu
contents Understanding the dynamic behavior of microstructures formed under fusion conditions is critical for designing high-performance structural materials for fusion reactors. Under fusion conditions, cavities of core-shell structures are formed due to the interaction between irradiation-induced vacancies and H and He atoms produced via transmutation. In this study, thermodynamic analysis and molecular dynamics simulations are combined to investigate the atomic-scale mechanisms and dynamic response of core-shell cavities formed in BCC-Fe under applied stress/strain fields. The thermodynamic analysis provides both the foundational reference for cavity structures under fusion neutron irradiation and the initial configurations for atomistic simulations. Building on this framework, atomic-scale simulations demonstrate that H and He play a decisive role in the stress-strain response and the evolution of elastic-plastic deformation within the cavities. In core-shell configurations, H atoms serve a function analogous to that in He-filled cavities, synergistically interacting with He to induce cavity deformation under mechanical loading.
format Preprint
id arxiv_https___arxiv_org_abs_2603_00867
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Stress-driven dynamic evolution of core-shell structured cavities with H and He in BCC-Fe under fusion conditions
Wang, Jin
Luo, Fengping
Chen, Yiheng
Chen, Denghuang
Zhang, Bowen
Liu, Yuxin
Wang, Guangyu
Zhao, Yunbiao
Mao, Sheng
Chen, Mohan
Zhou, Hong-Bo
Xue, Jianming
Wang, Yugang
Wang, Chenxu
Materials Science
Computational Physics
Understanding the dynamic behavior of microstructures formed under fusion conditions is critical for designing high-performance structural materials for fusion reactors. Under fusion conditions, cavities of core-shell structures are formed due to the interaction between irradiation-induced vacancies and H and He atoms produced via transmutation. In this study, thermodynamic analysis and molecular dynamics simulations are combined to investigate the atomic-scale mechanisms and dynamic response of core-shell cavities formed in BCC-Fe under applied stress/strain fields. The thermodynamic analysis provides both the foundational reference for cavity structures under fusion neutron irradiation and the initial configurations for atomistic simulations. Building on this framework, atomic-scale simulations demonstrate that H and He play a decisive role in the stress-strain response and the evolution of elastic-plastic deformation within the cavities. In core-shell configurations, H atoms serve a function analogous to that in He-filled cavities, synergistically interacting with He to induce cavity deformation under mechanical loading.
title Stress-driven dynamic evolution of core-shell structured cavities with H and He in BCC-Fe under fusion conditions
topic Materials Science
Computational Physics
url https://arxiv.org/abs/2603.00867