Atomic and Magnetic Ordering in bcc Cu-Al-Mn: Computational Study

Autores
Alés, Alejandro; Lanzini, Fernando Gabriel
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The β phase of the ternary alloy Cu-Al-Mn, with bcc structure, displays an interesting variety of long-range atomic ordering and magnetic transitions. In this work, we present a model that allows an accurate reproduction of the measured critical temperatures for alloys with compositions along the pseudobinary line Cu3Al-Cu2AlMn. The method is based on the Monte Carlo technique, allowing simultaneous evolution of the atomic distribution and the magnetic state. The configurational part of the energy is represented with a three-state Hamiltonian; the six interchange energies that govern the chemical interactions between nearest and next-nearest neighbours atoms have been determined. The magnetic counterpart is modelled by means of an Ising model. The predicted Curie temperatures agree well with the experimental values when it is assumed that the crystal configuration remains fixed and with the maximum possible degree of atomic ordering. The effects of configurational disorder on the magnetic transition have been evaluated.
Fil: Alés, Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; Argentina
Fil: Lanzini, Fernando Gabriel. 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. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina
Materia
ATOMIC ORDERING
CU-AL-MN
MAGNETISM
MONTE CARLO SIMULATIONS
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:11336/100882
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/100882
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Atomic and Magnetic Ordering in bcc Cu-Al-Mn: Computational StudyAlés, AlejandroLanzini, Fernando GabrielATOMIC ORDERINGCU-AL-MNMAGNETISMMONTE CARLO SIMULATIONShttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The β phase of the ternary alloy Cu-Al-Mn, with bcc structure, displays an interesting variety of long-range atomic ordering and magnetic transitions. In this work, we present a model that allows an accurate reproduction of the measured critical temperatures for alloys with compositions along the pseudobinary line Cu3Al-Cu2AlMn. The method is based on the Monte Carlo technique, allowing simultaneous evolution of the atomic distribution and the magnetic state. The configurational part of the energy is represented with a three-state Hamiltonian; the six interchange energies that govern the chemical interactions between nearest and next-nearest neighbours atoms have been determined. The magnetic counterpart is modelled by means of an Ising model. The predicted Curie temperatures agree well with the experimental values when it is assumed that the crystal configuration remains fixed and with the maximum possible degree of atomic ordering. The effects of configurational disorder on the magnetic transition have been evaluated.Fil: Alés, Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; ArgentinaFil: Lanzini, Fernando Gabriel. 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. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; ArgentinaIOP Publishing2014-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/100882Alés, Alejandro; Lanzini, Fernando Gabriel; Atomic and Magnetic Ordering in bcc Cu-Al-Mn: Computational Study; IOP Publishing; Modelling And Simulation In Materials Science And Engineering; 22; 8; 12-2014; 850071-85007160965-0393CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://iopscience.iop.org/0965-0393/22/8/085007info:eu-repo/semantics/altIdentifier/doi/10.1088/0965-0393/22/8/085007info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:19:26Zoai:ri.conicet.gov.ar:11336/100882instacron: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:34982025-09-10 13:19:26.437CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Atomic and Magnetic Ordering in bcc Cu-Al-Mn: Computational Study
title Atomic and Magnetic Ordering in bcc Cu-Al-Mn: Computational Study
spellingShingle Atomic and Magnetic Ordering in bcc Cu-Al-Mn: Computational Study
Alés, Alejandro
ATOMIC ORDERING
CU-AL-MN
MAGNETISM
MONTE CARLO SIMULATIONS
title_short Atomic and Magnetic Ordering in bcc Cu-Al-Mn: Computational Study
title_full Atomic and Magnetic Ordering in bcc Cu-Al-Mn: Computational Study
title_fullStr Atomic and Magnetic Ordering in bcc Cu-Al-Mn: Computational Study
title_full_unstemmed Atomic and Magnetic Ordering in bcc Cu-Al-Mn: Computational Study
title_sort Atomic and Magnetic Ordering in bcc Cu-Al-Mn: Computational Study
dc.creator.none.fl_str_mv Alés, Alejandro
Lanzini, Fernando Gabriel
author Alés, Alejandro
author_facet Alés, Alejandro
Lanzini, Fernando Gabriel
author_role author
author2 Lanzini, Fernando Gabriel
author2_role author
dc.subject.none.fl_str_mv ATOMIC ORDERING
CU-AL-MN
MAGNETISM
MONTE CARLO SIMULATIONS
topic ATOMIC ORDERING
CU-AL-MN
MAGNETISM
MONTE CARLO SIMULATIONS
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The β phase of the ternary alloy Cu-Al-Mn, with bcc structure, displays an interesting variety of long-range atomic ordering and magnetic transitions. In this work, we present a model that allows an accurate reproduction of the measured critical temperatures for alloys with compositions along the pseudobinary line Cu3Al-Cu2AlMn. The method is based on the Monte Carlo technique, allowing simultaneous evolution of the atomic distribution and the magnetic state. The configurational part of the energy is represented with a three-state Hamiltonian; the six interchange energies that govern the chemical interactions between nearest and next-nearest neighbours atoms have been determined. The magnetic counterpart is modelled by means of an Ising model. The predicted Curie temperatures agree well with the experimental values when it is assumed that the crystal configuration remains fixed and with the maximum possible degree of atomic ordering. The effects of configurational disorder on the magnetic transition have been evaluated.
Fil: Alés, Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; Argentina
Fil: Lanzini, Fernando Gabriel. 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. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina
description The β phase of the ternary alloy Cu-Al-Mn, with bcc structure, displays an interesting variety of long-range atomic ordering and magnetic transitions. In this work, we present a model that allows an accurate reproduction of the measured critical temperatures for alloys with compositions along the pseudobinary line Cu3Al-Cu2AlMn. The method is based on the Monte Carlo technique, allowing simultaneous evolution of the atomic distribution and the magnetic state. The configurational part of the energy is represented with a three-state Hamiltonian; the six interchange energies that govern the chemical interactions between nearest and next-nearest neighbours atoms have been determined. The magnetic counterpart is modelled by means of an Ising model. The predicted Curie temperatures agree well with the experimental values when it is assumed that the crystal configuration remains fixed and with the maximum possible degree of atomic ordering. The effects of configurational disorder on the magnetic transition have been evaluated.
publishDate 2014
dc.date.none.fl_str_mv 2014-12
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/11336/100882
Alés, Alejandro; Lanzini, Fernando Gabriel; Atomic and Magnetic Ordering in bcc Cu-Al-Mn: Computational Study; IOP Publishing; Modelling And Simulation In Materials Science And Engineering; 22; 8; 12-2014; 850071-8500716
0965-0393
CONICET Digital
CONICET
url http://hdl.handle.net/11336/100882
identifier_str_mv Alés, Alejandro; Lanzini, Fernando Gabriel; Atomic and Magnetic Ordering in bcc Cu-Al-Mn: Computational Study; IOP Publishing; Modelling And Simulation In Materials Science And Engineering; 22; 8; 12-2014; 850071-8500716
0965-0393
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://iopscience.iop.org/0965-0393/22/8/085007
info:eu-repo/semantics/altIdentifier/doi/10.1088/0965-0393/22/8/085007
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
application/pdf
dc.publisher.none.fl_str_mv IOP Publishing
publisher.none.fl_str_mv IOP Publishing
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 12.48226

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