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  • Td96k542w?file=thumbnail
    Article
    Lu, Gang
    Multiscale coupling of a quantum mechanical (QM) domain to a coarser-scale material description in a larger surrounding domain should yield forces and energies in the QM domain that are the same as would be achieved in a QM simulation of the entire sy . . .
  • Rv042w92g?file=thumbnail
    Article
    Curtin, W.A.
    Atomistic simulations of the interactions between dislocations, hydrogen atoms, and vacancies are studied to assess the viability of a recently proposed mechanism for the formation of nanoscale voids in Fe-based steels in the presence of hydrogen. Qua . . .