Publication Date:
2014-11-13
Description:
Author(s): Cormac Toher, Jose J. Plata, Ohad Levy, Maarten de Jong, Mark Asta, Marco Buongiorno Nardelli, and Stefano Curtarolo The quasiharmonic Debye approximation has been implemented within the aflow and Materials Project frameworks for high-throughput computational materials science (Automatic Gibbs Library, agl), in order to calculate thermal properties such as the Debye temperature and the thermal conductivity of mate... [Phys. Rev. B 90, 174107] Published Wed Nov 12, 2014
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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