Browsing Computational File Repository by Author "ddmorgan@wisc.edu"
Now showing items 1-4 of 4
-
Au - HCP - Migration energy
Morgan, Dane (2013-05-06)Migration energy for HCP gold, self-diffusion. -
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: ... -
Strain effects on oxygen migration in perovskites: La[Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Ga]O3
Mayeshiba, Tam; Morgan, Dane (2016-06-14)Fast oxygen transport materials are necessary for a range of technologies, including efficient and cost-effective solid oxide fuel cells, gas separation membranes, oxygen sensors, chemical looping devices, and memristors. ...