DFT_solute_diffusivity_all.xlsx (100.59 kB)
DFT dilute solute diffusion in Al, Cu, Ni, Pd, Pt, Mg, and W
Version 10 2018-12-05, 01:24
Version 9 2018-08-10, 12:53
Version 8 2017-03-07, 18:22
Version 7 2017-03-02, 17:30
Version 6 2017-03-02, 17:10
Version 5 2016-11-18, 17:57
Version 4 2016-07-22, 14:15
Version 3 2016-07-14, 14:43
Version 2 2016-02-03, 19:55
Version 1 2016-01-14, 16:25
dataset
posted on 2016-02-03, 19:55 authored by Dane MorganDane Morgan, Tam Mayeshiba, Dane MorganA 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.
