International Journal of Hydrogen Energy· 2026Q1
Ordering of hydrogen atoms at coherent twin boundary and its influence on dislocation emission and cracking of Ni
- 0citations
- Q1SCImago
- 2026year
Short summary
Hydrogen atoms spontaneously form ordered structures at nickel's coherent twin boundaries under strain, promoting dislocation emission and crack blunting.
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Key points
- External strain drives hydrogen atoms to form ordered structures (H-SRO) at coherent twin boundaries in nickel.
- H-SRO formation is linked to hydrogen-induced changes in atomic volume and stress.
- The H-SRO structure promotes dislocation emission from the boundary edge.
- In cracked nickel, H-SRO near the crack tip blunts the crack by promoting plastic activity.
AI-generated from the title and abstract; the full text is not read.
Abstract
By enabling a swift redistribution of H with lattice-based particle swarm optimization, this work uses molecular dynamics tensile simulations to elucidate the role of hydrogen arrangement at the coherent twin boundary (CTB) in hydrogen embrittlement. In pristine CTB, we found that external strain drives H atoms to form a short-range ordered (H-SRO) structure at the boundary, arising from H-induced changes in atomic volume and stress state. The short-range ordering influences the local mechanical responses under external loading, eventually prompting the dislocation emission from the edge of the H-SRO structure. In the pre-cracked CTB, the H-SRO structure also forms between the crack and the CTB, promoting plastic activity near the crack tip while blunting the crack.
The authors' abstract, as published at the source. International Journal of Hydrogen Energy, 2026 · DOI ↗
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Field: Metals and Alloys
Metals and AlloysMaterials Science