Artículo

Study of different structures derives of β−Cu3Al by means of ab-initio calculations and Quasi-Harmonic Approximation

Alés, AlejandroIcon
Fecha de publicación: 06/2022
Editorial: Elsevier
Revista: Computational Condensed Matter
ISSN: 2352-2143
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:

Resumen

In this work, different structures with composition Cu3Al are studied. Formation energies, elastic constants and various elastic moduli have been estimated using first principles methods and Quasi-Harmonic Approximation. Equilibrium structures at different pressure and temperature has been discussed and compared with available experimental data.
Palabras clave: COPPER-BASED ALLOYS , ELASTIC PROPERTIES , MARTENSITIC TRANSFORMATION , QUASI-HARMONIC APPROXIMATION
 
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info:eu-repo/semantics/restrictedAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/216822
DOI: http://dx.doi.org/10.1016/j.cocom.2022.e00652
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Articulos(CCT - TANDIL)
Articulos de CTRO CIENTIFICO TECNOLOGICO CONICET - TANDIL
Citación
Alés, Alejandro; Study of different structures derives of β−Cu3Al by means of ab-initio calculations and Quasi-Harmonic Approximation; Elsevier; Computational Condensed Matter; 31; 6-2022; 1-7
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