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Hydrogen Embrittlement of Aluminum: the Crucial Role of Vacancies

Gang Lu·Efthimios Kaxiras
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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.

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Gang Lu, Efthimios Kaxiras. 2005-03-18. Hydrogen Embrittlement of Aluminum: the Crucial Role of Vacancies. https://doi.org/10.1103/physrevlett.94.155501

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