Solute transport database in Mg using ab initio and exact diffusion theory
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https://www.materialsdatafacility.org/detail/pub_25_agarwal_solute_v1.2
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资源简介：
This dataset demonstrate the improved solute transport in hcp Mg through exact diffusion theory:Green function approach. We report the database of 61 solutes consisting of solute diffusivity and solute drag ratio. We also report the results from previously used approximate models of diffusion namely 8-frequency and 13-frequency models. The parameters needed for the diffusion models i.e. binding energy, migration barrier and attempt frequency are obtained through density functional theory calculations
提供机构：
Materials Data Facility
创建时间：
2017-08-23
