DFT dilute solute diffusion in Al, Cu, Ni, Pd, Pt, Mg, Fe, W, Mo, Au, Ca, Ir, Pb, Ag, Zr
收藏DataCite Commons2025-06-01 更新2024-07-27 收录
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https://figshare.com/articles/dataset/DFT_dilute_solute_diffusion_in_Al_Cu_Ni_Pd_Pt_and_Mg/1546772/10
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资源简介：
A total of more than 400 dilute solute diffusion systems in FCC, BCC, and HCP host lattices (Al, Cu, Ni, Pd, Pt, Mg, Fe, W, Mo, Au, Ca, Ir, Pb, Ag and Zr) 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.
提供机构：
figshare
创建时间：
2018-12-05
