DFT dilute solute diffusion in Al, Cu, Ni, Pd, Pt, Mg, and W

2016-02-03T19:55:02Z (GMT) by Henry Wu Tam Mayeshiba Dane Morgan
<p>A total of more than 260 dilute solute diffusion systems in Mg, Al, Cu, Ni, Pd, Pt, and W host lattices have been determined using density functional theory (DFT) calculations and multi-frequency diffusion models.  This dataset include the jump barriers and attempt frequencies for each solute as well as final Arrhenius diffusion constant, D0, and diffusion activation barrier, Q.</p>