Modelling of Chemical and Magnetic Order in Ni-Mn-Al Shape Memory Alloys Using Monte Carlo Simulations

Autores
Alés, Alejandro; Lanzini, Fernando Gabriel
Año de publicación
2022
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A model for the description of atomic and magnetic ordering in Ni − Mn − Al shape memory alloys is presented. The energetic parameters for the chemical and magnetic interactions are estimated from fitting to experimental data. Monte Carlo simulations based on this model correctly reproduce the critical B2 ↔ L21 ordering temperatures as a function of composition for three pseudobinary composition lines, as well as the nature of the low temperature magnetic transition.A ferromagnetic configuration is predicted for alloys in the stable L21 structure, whereas an antiferromagnetic state is obtained for metastably retained B2 order; this is in agreement with experimental observations. It is found that atomic ordering is mainly governed by Ni − Al interactions, and that the formation of B2 order can delay stabilization at low temperatures of the L21 configuration; the magnetic type of ordering depends on the Mn − Mn distance.
Fil: Alés, Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tandil; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina
Fil: Lanzini, Fernando Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tandil; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina
Materia
Monte Carlo
Ni-Mn-Al
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:11336/217871
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/217871
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Modelling of Chemical and Magnetic Order in Ni-Mn-Al Shape Memory Alloys Using Monte Carlo SimulationsAlés, AlejandroLanzini, Fernando GabrielMonte CarloNi-Mn-Alhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1A model for the description of atomic and magnetic ordering in Ni − Mn − Al shape memory alloys is presented. The energetic parameters for the chemical and magnetic interactions are estimated from fitting to experimental data. Monte Carlo simulations based on this model correctly reproduce the critical B2 ↔ L21 ordering temperatures as a function of composition for three pseudobinary composition lines, as well as the nature of the low temperature magnetic transition.A ferromagnetic configuration is predicted for alloys in the stable L21 structure, whereas an antiferromagnetic state is obtained for metastably retained B2 order; this is in agreement with experimental observations. It is found that atomic ordering is mainly governed by Ni − Al interactions, and that the formation of B2 order can delay stabilization at low temperatures of the L21 configuration; the magnetic type of ordering depends on the Mn − Mn distance.Fil: Alés, Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tandil; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; ArgentinaFil: Lanzini, Fernando Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tandil; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; ArgentinaElsevier2022-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/217871Alés, Alejandro; Lanzini, Fernando Gabriel; Modelling of Chemical and Magnetic Order in Ni-Mn-Al Shape Memory Alloys Using Monte Carlo Simulations; Elsevier; Social Science Research Network; 10-2022; 1-81556-5068CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://papers.ssrn.com/sol3/papers.cfm?abstract_id=4248936info:eu-repo/semantics/altIdentifier/doi/10.2139/ssrn.4248936info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:10:52Zoai:ri.conicet.gov.ar:11336/217871instacron: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:34982025-09-29 10:10:52.507CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Modelling of Chemical and Magnetic Order in Ni-Mn-Al Shape Memory Alloys Using Monte Carlo Simulations
title Modelling of Chemical and Magnetic Order in Ni-Mn-Al Shape Memory Alloys Using Monte Carlo Simulations
spellingShingle Modelling of Chemical and Magnetic Order in Ni-Mn-Al Shape Memory Alloys Using Monte Carlo Simulations
Alés, Alejandro
Monte Carlo
Ni-Mn-Al
title_short Modelling of Chemical and Magnetic Order in Ni-Mn-Al Shape Memory Alloys Using Monte Carlo Simulations
title_full Modelling of Chemical and Magnetic Order in Ni-Mn-Al Shape Memory Alloys Using Monte Carlo Simulations
title_fullStr Modelling of Chemical and Magnetic Order in Ni-Mn-Al Shape Memory Alloys Using Monte Carlo Simulations
title_full_unstemmed Modelling of Chemical and Magnetic Order in Ni-Mn-Al Shape Memory Alloys Using Monte Carlo Simulations
title_sort Modelling of Chemical and Magnetic Order in Ni-Mn-Al Shape Memory Alloys Using Monte Carlo Simulations
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 Monte Carlo
Ni-Mn-Al
topic Monte Carlo
Ni-Mn-Al
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv A model for the description of atomic and magnetic ordering in Ni − Mn − Al shape memory alloys is presented. The energetic parameters for the chemical and magnetic interactions are estimated from fitting to experimental data. Monte Carlo simulations based on this model correctly reproduce the critical B2 ↔ L21 ordering temperatures as a function of composition for three pseudobinary composition lines, as well as the nature of the low temperature magnetic transition.A ferromagnetic configuration is predicted for alloys in the stable L21 structure, whereas an antiferromagnetic state is obtained for metastably retained B2 order; this is in agreement with experimental observations. It is found that atomic ordering is mainly governed by Ni − Al interactions, and that the formation of B2 order can delay stabilization at low temperatures of the L21 configuration; the magnetic type of ordering depends on the Mn − Mn distance.
Fil: Alés, Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tandil; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina
Fil: Lanzini, Fernando Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tandil; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina
description A model for the description of atomic and magnetic ordering in Ni − Mn − Al shape memory alloys is presented. The energetic parameters for the chemical and magnetic interactions are estimated from fitting to experimental data. Monte Carlo simulations based on this model correctly reproduce the critical B2 ↔ L21 ordering temperatures as a function of composition for three pseudobinary composition lines, as well as the nature of the low temperature magnetic transition.A ferromagnetic configuration is predicted for alloys in the stable L21 structure, whereas an antiferromagnetic state is obtained for metastably retained B2 order; this is in agreement with experimental observations. It is found that atomic ordering is mainly governed by Ni − Al interactions, and that the formation of B2 order can delay stabilization at low temperatures of the L21 configuration; the magnetic type of ordering depends on the Mn − Mn distance.
publishDate 2022
dc.date.none.fl_str_mv 2022-10
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/11336/217871
Alés, Alejandro; Lanzini, Fernando Gabriel; Modelling of Chemical and Magnetic Order in Ni-Mn-Al Shape Memory Alloys Using Monte Carlo Simulations; Elsevier; Social Science Research Network; 10-2022; 1-8
1556-5068
CONICET Digital
CONICET
url http://hdl.handle.net/11336/217871
identifier_str_mv Alés, Alejandro; Lanzini, Fernando Gabriel; Modelling of Chemical and Magnetic Order in Ni-Mn-Al Shape Memory Alloys Using Monte Carlo Simulations; Elsevier; Social Science Research Network; 10-2022; 1-8
1556-5068
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://papers.ssrn.com/sol3/papers.cfm?abstract_id=4248936
info:eu-repo/semantics/altIdentifier/doi/10.2139/ssrn.4248936
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
publisher.none.fl_str_mv Elsevier
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 13.070432

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