First-principles calculations to investigate mechanical, electronic, optical, and thermodynamic properties of Zr-based ternary compounds
Author:
Publisher
Elsevier BV
Subject
Metals and Alloys,Surfaces, Coatings and Films,Biomaterials,Ceramics and Composites
Reference104 articles.
1. First-principles investigation on diffusion mechanism of alloying elements in dilute Zr alloys;Lu;Acta Mater,2018
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3. First-principles calculation of oxygen adsorption on Zr(0001)surface Possible site occupation between the second and the third layer;Yamamoto;Phys Rev B,1996
4. Effects of alloying elements (Sn, Fe, Cr, Nb) on mechanical properties of zirconium: generalized stacking-fault energies from first-principles calculations;Pan;Comput Condens Matter,2017
5. Zirconium phase transformations observed by “in-situ” XRD analysis;Riha;Vacuum,2012
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