Hydrogen Embrittlement of Aluminum: the Crucial Role of Vacancies

Abstract

We report first-principles calculations which demonstrate that vacancies can combine with hydrogen impurities in bulk aluminum and play a crucial role in the embrittlement of this prototypical ductile solid. Our studies of hydrogen-induced vacancy superabundant formation and vacancy clusterization in aluminum lead to the conclusion that a large number of H atoms (up to twelve) can be trapped at a single vacancy, which over-compensates the energy cost to form the defect. In the presence of trapped H atoms, three nearest-neighbor single vacancies which normally would repel each other, aggregate to form a trivacancy on the slip plane of Al, acting as embryos for microvoids and cracks and resulting in ductile rupture along the these planes.

arXiv commentTo appear in Phys. Rev. Lett

References in corpus (1)

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

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