Browsing First Principles Phase Stability (FPPS) Files by Author "Angsten, Thomas"
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Elemental vacancy diffusion for fcc and hcp structures
Angsten, Thomas; Mayeshiba, Tam; Wu, Henry; Morgan, Dane (2014-08-08)This work demonstrates how databases of diffusion-related properties can be developed from high-throughput ab initio calculations. The formation and migration energies for vacancies of all adequately stable pure elements ... -
Elemental vacancy diffusion for fcc and hcp structures - spreadsheets for plots
Angsten, Thomas; Mayeshiba, Tam; Wu, Henry; Morgan, Dane (2014-09-18)See entry at http://hdl.handle.net/11256/76 for Angsten T et al (2014) Elemental vacancy diffusion database from high-throughput first-principles calculations for fcc and hcp structures. New J. Phys. 16 015018 http: ...