Hydrogen-enhanced local plasticity in aluminum: an ab initio study

Abstract

Dislocation core properties of Al with and without H impurities are studied using the Peierls-Nabarro model with parameters determined by ab initio calculations. We find that H not only facilitates dislocation emission from the crack tip but also enhances dislocation mobility dramatically, leading to macroscopically softening and thinning of the material ahead of the crack tip. We observe strong binding between H and dislocation cores, with the binding energy depending on dislocation character. This dependence can directly affect the mechanical properties of Al by inhibiting dislocation cross-slip and developing slip planarity.

4 pages, 3 figures

References in corpus (1)

• Generalized stacking fault energy surfaces and dislocation properties of aluminum

Cited by in corpus (8)

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• From Electrons to Finite Elements: A Concurrent Multiscale Approach for Metals
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• Dislocation constriction and cross-slip in Al and Ag: an ab initio study
• A nonplanar Peierls-Nabarro model and its applications to dislocation cross-slip
• Accelerating off-lattice kinetic Monte Carlo simulations to predict hydrogen vacancy-cluster interactions in $\alpha$-Fe
• Revisiting stress-corrosion cracking and hydrogen embrittlement in 7xxx-Al alloys at the near-atomic-scale