DFT dilute solute diffusion in Al, Cu, Ni, Pd, Pt, and Mg
收藏Figshare2016-01-14 更新2026-04-08 收录
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https://figshare.com/articles/dataset/DFT_dilute_solute_diffusion_in_Al_Cu_Ni_Pd_Pt_and_Mg/1546772/1
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资源简介：
A total of more than 230 dilute solute diffusion systems in Mg, Al, Cu, Ni, Pd, and Pt 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.
创建时间：
2016-01-14
