Browsing Computational File Repository 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: ...