Thermodynamics of Atomic Ordering in Cu-Zn-Al: A Monte Carlo Study

Autores
Lanzini, Fernando Gabriel; Romero, Jose Ricardo
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We present a study of the short- and long- range ordering phenomena that take place in the bcc β phase of the ternary alloy Cu-Zn-Al. The results have been obtained by means of Monte Carlo simulations based on a three states Ising Hamiltonian. The evolution of the long- and short-range order degrees, internal energy, entropy and Helmholtz free energy are calculated as functions of temperature. The impact of short range order on the thermodynamics of the system is evaluated. The results obtained with the Monte Carlo technique are contrasted with those obtained within two different analytical approximations, whose validity is discussed. The calculated thermal variation of the specific heat near the long range ordering transitions is discussed and compared with experimental data.
Fil: Lanzini, Fernando Gabriel. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires. - Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tandil. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires. - Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires; Argentina
Fil: Romero, Jose Ricardo. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina
Materia
ATOMIC ORDERING
CU-ZN-AL
MONTE CARLO METHOD
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/180549
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Thermodynamics of Atomic Ordering in Cu-Zn-Al: A Monte Carlo StudyLanzini, Fernando GabrielRomero, Jose RicardoATOMIC ORDERINGCU-ZN-ALMONTE CARLO METHODhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We present a study of the short- and long- range ordering phenomena that take place in the bcc β phase of the ternary alloy Cu-Zn-Al. The results have been obtained by means of Monte Carlo simulations based on a three states Ising Hamiltonian. The evolution of the long- and short-range order degrees, internal energy, entropy and Helmholtz free energy are calculated as functions of temperature. The impact of short range order on the thermodynamics of the system is evaluated. The results obtained with the Monte Carlo technique are contrasted with those obtained within two different analytical approximations, whose validity is discussed. The calculated thermal variation of the specific heat near the long range ordering transitions is discussed and compared with experimental data.Fil: Lanzini, Fernando Gabriel. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires. - Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tandil. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires. - Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires; ArgentinaFil: Romero, Jose Ricardo. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; ArgentinaElsevier Science2014-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/180549Lanzini, Fernando Gabriel; Romero, Jose Ricardo; Thermodynamics of Atomic Ordering in Cu-Zn-Al: A Monte Carlo Study; Elsevier Science; Computational Materials Science; 96; PA; 9-2014; 20-270927-0256CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0927025614005758info:eu-repo/semantics/altIdentifier/doi/10.1016/j.commatsci.2014.08.033info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:10:32Zoai:ri.conicet.gov.ar:11336/180549instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 10:10:32.716CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Thermodynamics of Atomic Ordering in Cu-Zn-Al: A Monte Carlo Study
title Thermodynamics of Atomic Ordering in Cu-Zn-Al: A Monte Carlo Study
spellingShingle Thermodynamics of Atomic Ordering in Cu-Zn-Al: A Monte Carlo Study
Lanzini, Fernando Gabriel
ATOMIC ORDERING
CU-ZN-AL
MONTE CARLO METHOD
title_short Thermodynamics of Atomic Ordering in Cu-Zn-Al: A Monte Carlo Study
title_full Thermodynamics of Atomic Ordering in Cu-Zn-Al: A Monte Carlo Study
title_fullStr Thermodynamics of Atomic Ordering in Cu-Zn-Al: A Monte Carlo Study
title_full_unstemmed Thermodynamics of Atomic Ordering in Cu-Zn-Al: A Monte Carlo Study
title_sort Thermodynamics of Atomic Ordering in Cu-Zn-Al: A Monte Carlo Study
dc.creator.none.fl_str_mv Lanzini, Fernando Gabriel
Romero, Jose Ricardo
author Lanzini, Fernando Gabriel
author_facet Lanzini, Fernando Gabriel
Romero, Jose Ricardo
author_role author
author2 Romero, Jose Ricardo
author2_role author
dc.subject.none.fl_str_mv ATOMIC ORDERING
CU-ZN-AL
MONTE CARLO METHOD
topic ATOMIC ORDERING
CU-ZN-AL
MONTE CARLO METHOD
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We present a study of the short- and long- range ordering phenomena that take place in the bcc β phase of the ternary alloy Cu-Zn-Al. The results have been obtained by means of Monte Carlo simulations based on a three states Ising Hamiltonian. The evolution of the long- and short-range order degrees, internal energy, entropy and Helmholtz free energy are calculated as functions of temperature. The impact of short range order on the thermodynamics of the system is evaluated. The results obtained with the Monte Carlo technique are contrasted with those obtained within two different analytical approximations, whose validity is discussed. The calculated thermal variation of the specific heat near the long range ordering transitions is discussed and compared with experimental data.
Fil: Lanzini, Fernando Gabriel. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires. - Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tandil. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires. - Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires; Argentina
Fil: Romero, Jose Ricardo. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina
description We present a study of the short- and long- range ordering phenomena that take place in the bcc β phase of the ternary alloy Cu-Zn-Al. The results have been obtained by means of Monte Carlo simulations based on a three states Ising Hamiltonian. The evolution of the long- and short-range order degrees, internal energy, entropy and Helmholtz free energy are calculated as functions of temperature. The impact of short range order on the thermodynamics of the system is evaluated. The results obtained with the Monte Carlo technique are contrasted with those obtained within two different analytical approximations, whose validity is discussed. The calculated thermal variation of the specific heat near the long range ordering transitions is discussed and compared with experimental data.
publishDate 2014
dc.date.none.fl_str_mv 2014-09
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/180549
Lanzini, Fernando Gabriel; Romero, Jose Ricardo; Thermodynamics of Atomic Ordering in Cu-Zn-Al: A Monte Carlo Study; Elsevier Science; Computational Materials Science; 96; PA; 9-2014; 20-27
0927-0256
CONICET Digital
CONICET
url http://hdl.handle.net/11336/180549
identifier_str_mv Lanzini, Fernando Gabriel; Romero, Jose Ricardo; Thermodynamics of Atomic Ordering in Cu-Zn-Al: A Monte Carlo Study; Elsevier Science; Computational Materials Science; 96; PA; 9-2014; 20-27
0927-0256
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0927025614005758
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.commatsci.2014.08.033
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.13397

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