Articles with "atomic mechanism" as a keyword



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Discontinuous model combined with an atomic mechanism simulates the precipitated η′ phase effect in intergranular cracking of 7-series aluminum alloys

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Published in 2019 at "Computational Materials Science"

DOI: 10.1016/j.commatsci.2019.05.008

Abstract: Abstract A first-principles calculation reveals that the phase that is precipitated in a grain boundary weakens the cohesiveness of the grain boundary. The hydrogen atom is likely to be trapped in the Al/MgZn2 boundary when… read more here.

Keywords: discontinuous model; combined atomic; grain boundaries; model ... See more keywords