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Synergistic Effects of Stress and Grain Boundary on the Hydrogen Diffusion in Polycrystalline α-Iron
李
Y
B
占
C
DOI:10.1016/j.mtcomm.2026.115242.png)
Abstract
En 中文
• MD simulations reveal distinct H diffusion under triaxial vs. uniaxial stress in α-Fe. • Tensile stress promotes H diffusion while compressive stress inhibits it. • Low-angle grain boundaries enhance H diffusion; high-angle GBs reduce H diffusion rate. • Stress-microstructure synergy provides insights for H embrittlement-resistant Fe alloys
Keywords:
Hydrogen Diffusion
Uniform Grain Size
Stress State Effects
Grain Boundary Misorientation
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