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

Alés, Alejandro · Elsevier · 2022

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Author / responsible party
Alés, Alejandro
Publisher
Elsevier
Year
2022
ISSN
2352-2143
ISSN
2352-2143
Language
English

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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. 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

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APA 7

Alés, A. (2022). Study of different structures derives of β−Cu3Al by means of ab-initio calculations and Quasi-Harmonic Approximation. http://hdl.handle.net/11336/216822

MLA

Alés, Alejandro. "Study of different structures derives of β−Cu3Al by means of ab-initio calculations and Quasi-Harmonic Approximation." 2022. http://hdl.handle.net/11336/216822.

Chicago

Alés, Alejandro. 2022. "Study of different structures derives of β−Cu3Al by means of ab-initio calculations and Quasi-Harmonic Approximation.". http://hdl.handle.net/11336/216822.

Harvard

Alés, A. 2022, Study of different structures derives of β−Cu3Al by means of ab-initio calculations and Quasi-Harmonic Approximation, Elsevier, available at: http://hdl.handle.net/11336/216822 [Accessed 10 Aug. 2026].

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Title
Study of different structures derives of β−Cu3Al by means of ab-initio calculations and Quasi-Harmonic Approximation
Author / contributors
Alés, Alejandro
Publisher
Elsevier
Publication year
2022
ISSN
2352-2143
ISSN
2352-2143
Language
English

Subjects

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COPPER-BASED ALLOYS; ELASTIC PROPERTIES; MARTENSITIC TRANSFORMATION; QUASI-HARMONIC APPROXIMATION; https://purl.org/becyt/ford/1.3; https://purl.org/becyt/ford/1
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