First-principles study on hydrogen segregation in tungsten grain boundaries and its impact on their mechanical strengths: Uniaxial tensile strain effect

Based on comprehensive first-principles calculations, this study systematically investigates hydrogen (H) segregation behavior at Σ3(112)[110] and Σ5(310)[100] tungsten (W) grain boundaries (GBs) under uniaxial tensile strain, and its consequent impact on GB mechanical strengths. Our results indicat...

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Bibliografski detalji

Glavni autori:	Quan-Fu Han, Jinxin Chen, Aoyu Mo, Wenjie Li, Haijun Li, Xiaowei Ma, Yunshan Xiong, Peng Shao, Bo Li, Kun Jie Yang, Yue-Lin Liu
Format:	Artigo
Jezik:	Inglês
Izdano:	Elsevier 2026-03-01
Serija:	Nuclear Materials and Energy
Teme:	Tungsten grain boundaries Hydrogen segregation Tensile strain Mechanical strengths First-principles calculations
Online pristup:	http://www.sciencedirect.com/science/article/pii/S2352179125001978
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