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