Effects of the evolution of electronic properties on twin-boundary segregation energies of zirconium from first-principles calculations
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DOI: 10.1016/j.matlet.2017.05.093
Abstract: Abstract The twin-boundary segregation energies (ETBS) of {10–12} tension twins and {10–11} compression twins for Zr-X (X = Sn, Fe, Cr, Nb) binary alloys are computed using first-principles calculations. Additionally, the effects of atomic radius and electronic… read more here.
Keywords: boundary segregation; electronic properties; segregation energies; twin boundary ... See more keywords