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

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

2001-04-16

arxiv.org/abs/cond-mat/0104282v1

Physics

Condensed Matter

Materials Science

4 pages, 3 figures

Scientific paper

10.1103/PhysRevLett.87.095501

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.

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