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dc.contributor.author
Alés, Alejandro  
dc.date.available
2023-11-02T11:23:41Z  
dc.date.issued
2022-06  
dc.identifier.citation
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  
dc.identifier.issn
2352-2143  
dc.identifier.uri
http://hdl.handle.net/11336/216822  
dc.description.abstract
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.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
Elsevier  
dc.rights
info:eu-repo/semantics/restrictedAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
COPPER-BASED ALLOYS  
dc.subject
ELASTIC PROPERTIES  
dc.subject
MARTENSITIC TRANSFORMATION  
dc.subject
QUASI-HARMONIC APPROXIMATION  
dc.subject.classification
Física de los Materiales Condensados  
dc.subject.classification
Ciencias Físicas  
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS  
dc.title
Study of different structures derives of β−Cu3Al by means of ab-initio calculations and Quasi-Harmonic Approximation  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2023-11-01T11:12:43Z  
dc.journal.volume
31  
dc.journal.pagination
1-7  
dc.journal.pais
Países Bajos  
dc.description.fil
Fil: Alés, Alejandro. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tandil; Argentina  
dc.journal.title
Computational Condensed Matter  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.cocom.2022.e00652  

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