Configurational thermodynamics of C in body-centered cubic/tetragonal Fe : A combined computational study
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DOI: 10.1016/j.commatsci.2018.02.024
Abstract: Abstract Configurational thermodynamics of C in body-centered cubic (bcc) or tetragonal (bct) Fe is investigated combining several computational techniques. Pairwise C C interaction energies in bcc Fe are calculated by density functional theory (DFT) and… read more here.
Keywords: thermodynamics; centered cubic; configurational thermodynamics; thermodynamics body ... See more keywords