TY - DATA T1 - DFT dilute solute diffusion in Al, Cu, Ni, Pd, Pt, Mg, Fe, W, Mo, Au, Ca, Ir, Pb, and Ag PY - 2017/03/07 AU - Dane Morgan AU - Tam Mayeshiba AU - Dane Morgan UR - https://figshare.com/articles/dataset/DFT_dilute_solute_diffusion_in_Al_Cu_Ni_Pd_Pt_and_Mg/1546772 DO - 10.6084/m9.figshare.1546772.v8 L4 - https://ndownloader.figshare.com/files/7697425 L4 - https://ndownloader.figshare.com/files/7697449 L4 - https://ndownloader.figshare.com/files/5524820 L4 - https://ndownloader.figshare.com/files/5524823 L4 - https://ndownloader.figshare.com/files/5524826 L4 - https://ndownloader.figshare.com/files/5524829 L4 - https://ndownloader.figshare.com/files/5524835 L4 - https://ndownloader.figshare.com/files/5524832 L4 - https://ndownloader.figshare.com/files/5524838 L4 - https://ndownloader.figshare.com/files/5524841 L4 - https://ndownloader.figshare.com/files/5524844 L4 - https://ndownloader.figshare.com/files/5524847 L4 - https://ndownloader.figshare.com/files/5524850 L4 - https://ndownloader.figshare.com/files/5524853 L4 - https://ndownloader.figshare.com/files/7723090 KW - dft KW - diffusion KW - metals KW - database KW - Condensed Matter Physics N2 - A total of more than 360 dilute solute diffusion systems in FCC, BCC, and HCP host lattices (Al, Cu, Ni, Pd, Pt, Mg, Fe, W, Mo, Au, Ca, Ir, Pb, and Ag) 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. ER -