Configurational entropy of systems with non-additive lateral interactions

Autores
Nieto Quintas, Felix Daniel; Pinto, Oscar Alejandro; Ramirez Pastor, Antonio Jose
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The configurational entropy per site of a lattice gas model with non-additive interactions between adsorbed particles for square, triangular and honeycomb lattices is discussed in the present study. The model used here assumes that the energy which links a certain atom with any of its nearest-neighbors strongly depends on the state of occupancy in the first coordination sphere of that adatom. By means of Monte Carlo simulations in the canonical ensemble by following the algorithm of parallel tempering and the thermodynamic integration method the configurational entropy per site has been calculated. By analyzing the behavior of the configurational entropy per site, the different low-temperature-ordered phases are described. The dependency of the critical temperature of the system as a function of characteristic parameters of the model is established.
Fil: Nieto Quintas, Felix Daniel. Universidad Nacional de San Luis. Facultad de Ciencias Fisico- Matematicas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Pinto, Oscar Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis. Facultad de Ciencias Fisico- Matematicas y Naturales; Argentina
Fil: Ramirez Pastor, Antonio Jose. Universidad Nacional de San Luis. Facultad de Ciencias Fisico- Matematicas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Materia
Monte Carlo Simulations
Configurational Entropy
Lattice Gas- Model
Non- Additive Interactions
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/9003
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Configurational entropy of systems with non-additive lateral interactionsNieto Quintas, Felix DanielPinto, Oscar AlejandroRamirez Pastor, Antonio JoseMonte Carlo SimulationsConfigurational EntropyLattice Gas- ModelNon- Additive Interactionshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The configurational entropy per site of a lattice gas model with non-additive interactions between adsorbed particles for square, triangular and honeycomb lattices is discussed in the present study. The model used here assumes that the energy which links a certain atom with any of its nearest-neighbors strongly depends on the state of occupancy in the first coordination sphere of that adatom. By means of Monte Carlo simulations in the canonical ensemble by following the algorithm of parallel tempering and the thermodynamic integration method the configurational entropy per site has been calculated. By analyzing the behavior of the configurational entropy per site, the different low-temperature-ordered phases are described. The dependency of the critical temperature of the system as a function of characteristic parameters of the model is established.Fil: Nieto Quintas, Felix Daniel. Universidad Nacional de San Luis. Facultad de Ciencias Fisico- Matematicas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaFil: Pinto, Oscar Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis. Facultad de Ciencias Fisico- Matematicas y Naturales; ArgentinaFil: Ramirez Pastor, Antonio Jose. Universidad Nacional de San Luis. Facultad de Ciencias Fisico- Matematicas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaElsevier Science2012-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/9003Nieto Quintas, Felix Daniel; Pinto, Oscar Alejandro; Ramirez Pastor, Antonio Jose; Configurational entropy of systems with non-additive lateral interactions; Elsevier Science; Physica A: Statistical Mechanics And Its Applications; 391; 12-2012; 6390-63980378-4371enginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.physa.2012.06.041info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0378437112005456info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:56:02Zoai:ri.conicet.gov.ar:11336/9003instacron: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 09:56:02.542CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Configurational entropy of systems with non-additive lateral interactions
title Configurational entropy of systems with non-additive lateral interactions
spellingShingle Configurational entropy of systems with non-additive lateral interactions
Nieto Quintas, Felix Daniel
Monte Carlo Simulations
Configurational Entropy
Lattice Gas- Model
Non- Additive Interactions
title_short Configurational entropy of systems with non-additive lateral interactions
title_full Configurational entropy of systems with non-additive lateral interactions
title_fullStr Configurational entropy of systems with non-additive lateral interactions
title_full_unstemmed Configurational entropy of systems with non-additive lateral interactions
title_sort Configurational entropy of systems with non-additive lateral interactions
dc.creator.none.fl_str_mv Nieto Quintas, Felix Daniel
Pinto, Oscar Alejandro
Ramirez Pastor, Antonio Jose
author Nieto Quintas, Felix Daniel
author_facet Nieto Quintas, Felix Daniel
Pinto, Oscar Alejandro
Ramirez Pastor, Antonio Jose
author_role author
author2 Pinto, Oscar Alejandro
Ramirez Pastor, Antonio Jose
author2_role author
author
dc.subject.none.fl_str_mv Monte Carlo Simulations
Configurational Entropy
Lattice Gas- Model
Non- Additive Interactions
topic Monte Carlo Simulations
Configurational Entropy
Lattice Gas- Model
Non- Additive Interactions
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 configurational entropy per site of a lattice gas model with non-additive interactions between adsorbed particles for square, triangular and honeycomb lattices is discussed in the present study. The model used here assumes that the energy which links a certain atom with any of its nearest-neighbors strongly depends on the state of occupancy in the first coordination sphere of that adatom. By means of Monte Carlo simulations in the canonical ensemble by following the algorithm of parallel tempering and the thermodynamic integration method the configurational entropy per site has been calculated. By analyzing the behavior of the configurational entropy per site, the different low-temperature-ordered phases are described. The dependency of the critical temperature of the system as a function of characteristic parameters of the model is established.
Fil: Nieto Quintas, Felix Daniel. Universidad Nacional de San Luis. Facultad de Ciencias Fisico- Matematicas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Pinto, Oscar Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis. Facultad de Ciencias Fisico- Matematicas y Naturales; Argentina
Fil: Ramirez Pastor, Antonio Jose. Universidad Nacional de San Luis. Facultad de Ciencias Fisico- Matematicas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
description The configurational entropy per site of a lattice gas model with non-additive interactions between adsorbed particles for square, triangular and honeycomb lattices is discussed in the present study. The model used here assumes that the energy which links a certain atom with any of its nearest-neighbors strongly depends on the state of occupancy in the first coordination sphere of that adatom. By means of Monte Carlo simulations in the canonical ensemble by following the algorithm of parallel tempering and the thermodynamic integration method the configurational entropy per site has been calculated. By analyzing the behavior of the configurational entropy per site, the different low-temperature-ordered phases are described. The dependency of the critical temperature of the system as a function of characteristic parameters of the model is established.
publishDate 2012
dc.date.none.fl_str_mv 2012-12
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/11336/9003
Nieto Quintas, Felix Daniel; Pinto, Oscar Alejandro; Ramirez Pastor, Antonio Jose; Configurational entropy of systems with non-additive lateral interactions; Elsevier Science; Physica A: Statistical Mechanics And Its Applications; 391; 12-2012; 6390-6398
0378-4371
url http://hdl.handle.net/11336/9003
identifier_str_mv Nieto Quintas, Felix Daniel; Pinto, Oscar Alejandro; Ramirez Pastor, Antonio Jose; Configurational entropy of systems with non-additive lateral interactions; Elsevier Science; Physica A: Statistical Mechanics And Its Applications; 391; 12-2012; 6390-6398
0378-4371
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.physa.2012.06.041
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0378437112005456
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
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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