Stability limits for the supercooled liquid and superheated crystal of Lennard-Jones particles

Autores
Loscar, Ernesto Selim; Martin, Daniel Alejandro; Grigera, Tomás Sebastián
Año de publicación
2017
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We have studied the limits of stability in the first order liquid-solid phase transition in a Lennard-Jones system by means of the short-time relaxation method and using the bond-orientational order parameter Q6. These limits are compared with the melting line. We have paid special attention to the supercooled liquid, comparing our results with the point where the free energy cost of forming a nucleating droplet goes to zero. We also indirectly estimate the dimension associated to the critical nucleus at the spinodal, expected to be fractal according to mean field theories of nucleation.
Instituto de Física de Líquidos y Sistemas Biológicos
Consejo Nacional de Investigaciones Científicas y Técnicas
Materia
Física
Short time dynamics
Liquid solid transition
Spinodal
Fractal dimension
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by-nc-sa/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/102330
Acceder
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oai_identifier_str oai:sedici.unlp.edu.ar:10915/102330
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repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Stability limits for the supercooled liquid and superheated crystal of Lennard-Jones particlesLoscar, Ernesto SelimMartin, Daniel AlejandroGrigera, Tomás SebastiánFísicaShort time dynamicsLiquid solid transitionSpinodalFractal dimensionWe have studied the limits of stability in the first order liquid-solid phase transition in a Lennard-Jones system by means of the short-time relaxation method and using the bond-orientational order parameter Q6. These limits are compared with the melting line. We have paid special attention to the supercooled liquid, comparing our results with the point where the free energy cost of forming a nucleating droplet goes to zero. We also indirectly estimate the dimension associated to the critical nucleus at the spinodal, expected to be fractal according to mean field theories of nucleation.Instituto de Física de Líquidos y Sistemas BiológicosConsejo Nacional de Investigaciones Científicas y Técnicas2017-07-15info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttp://sedici.unlp.edu.ar/handle/10915/102330enginfo:eu-repo/semantics/altIdentifier/url/https://ri.conicet.gov.ar/11336/65969info:eu-repo/semantics/altIdentifier/issn/0021-9606info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4994049info:eu-repo/semantics/altIdentifier/hdl/11336/65969info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-10-22T17:01:50Zoai:sedici.unlp.edu.ar:10915/102330Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-10-22 17:01:50.282SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Stability limits for the supercooled liquid and superheated crystal of Lennard-Jones particles
title Stability limits for the supercooled liquid and superheated crystal of Lennard-Jones particles
spellingShingle Stability limits for the supercooled liquid and superheated crystal of Lennard-Jones particles
Loscar, Ernesto Selim
Física
Short time dynamics
Liquid solid transition
Spinodal
Fractal dimension
title_short Stability limits for the supercooled liquid and superheated crystal of Lennard-Jones particles
title_full Stability limits for the supercooled liquid and superheated crystal of Lennard-Jones particles
title_fullStr Stability limits for the supercooled liquid and superheated crystal of Lennard-Jones particles
title_full_unstemmed Stability limits for the supercooled liquid and superheated crystal of Lennard-Jones particles
title_sort Stability limits for the supercooled liquid and superheated crystal of Lennard-Jones particles
dc.creator.none.fl_str_mv Loscar, Ernesto Selim
Martin, Daniel Alejandro
Grigera, Tomás Sebastián
author Loscar, Ernesto Selim
author_facet Loscar, Ernesto Selim
Martin, Daniel Alejandro
Grigera, Tomás Sebastián
author_role author
author2 Martin, Daniel Alejandro
Grigera, Tomás Sebastián
author2_role author
author
dc.subject.none.fl_str_mv Física
Short time dynamics
Liquid solid transition
Spinodal
Fractal dimension
topic Física
Short time dynamics
Liquid solid transition
Spinodal
Fractal dimension
dc.description.none.fl_txt_mv We have studied the limits of stability in the first order liquid-solid phase transition in a Lennard-Jones system by means of the short-time relaxation method and using the bond-orientational order parameter Q6. These limits are compared with the melting line. We have paid special attention to the supercooled liquid, comparing our results with the point where the free energy cost of forming a nucleating droplet goes to zero. We also indirectly estimate the dimension associated to the critical nucleus at the spinodal, expected to be fractal according to mean field theories of nucleation.
Instituto de Física de Líquidos y Sistemas Biológicos
Consejo Nacional de Investigaciones Científicas y Técnicas
description We have studied the limits of stability in the first order liquid-solid phase transition in a Lennard-Jones system by means of the short-time relaxation method and using the bond-orientational order parameter Q6. These limits are compared with the melting line. We have paid special attention to the supercooled liquid, comparing our results with the point where the free energy cost of forming a nucleating droplet goes to zero. We also indirectly estimate the dimension associated to the critical nucleus at the spinodal, expected to be fractal according to mean field theories of nucleation.
publishDate 2017
dc.date.none.fl_str_mv 2017-07-15
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
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://sedici.unlp.edu.ar/handle/10915/102330
url http://sedici.unlp.edu.ar/handle/10915/102330
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://ri.conicet.gov.ar/11336/65969
info:eu-repo/semantics/altIdentifier/issn/0021-9606
info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4994049
info:eu-repo/semantics/altIdentifier/hdl/11336/65969
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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