Publication Date:
2013-10-01
Description:
Author(s): B. Puchala and A. Van der Ven We investigate the electronic and thermodynamic properties of Zr and its oxides from first principles to elucidate phase stability in the Zr-O system. Hexagonally close-packed Zr is unusual in its ability to dissolve very high concentrations of oxygen over its interstitial octahedral sites, forming ... [Phys. Rev. B 88, 094108] Published Mon Sep 30, 2013
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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