Dimer adsorption on square surfaces with first- and second-neighbor interactions

Autores
Phares, A. J.; Pasinetti, Pedro Marcelo; Grumbine Jr., D. W.; Wunderlich, F.
Año de publicación
2011
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Dimer adsorption on surfaces simulates the adsorption of particles that bind onto two nearest-neighbor sites. In 1993, we constructed a transfer matrix (T-matrix) for the study of dimers on stepped surfaces, consisting of M-sites wide square terraces, considering only first-neighbor interaction energies. Here, we consider a more realistic model by including both first- and second-neighbor interaction energies, V and W. The non-trivial construction of the T-matrix to include second-neighbor interactions is used to obtain the low-temperature energy phase diagrams of the dimer system for any M , when first-neighbors are attractive, and for values of M<7 when first-neighbors are repulsive. New crystallization patterns and phases are observed and extrapolated to infinite M. Monte Carlo simulation techniques confirm our T-matrix results, but the T-matrix method is found to be computationally more efficient and more precise. However, Monte Carlo parallel tempering simulations combined with finite-size scaling, while limited in precision, are more efficient to obtain the critical temperature of the various order–disorder transitions as a function of W/|V|, from the study of the heat capacity and the order parameter as functions of temperature. We also discuss the relevance of these results to experiments.
Fil: Phares, A. J.. Villanova University; Estados Unidos
Fil: Pasinetti, Pedro Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Grumbine Jr., D. W. . Saint Vincent College; Estados Unidos
Fil: Wunderlich, F.. Villanova University; Estados Unidos
Materia
Dimer
Adsorption
Square Lattice
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:11336/14086

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spelling Dimer adsorption on square surfaces with first- and second-neighbor interactionsPhares, A. J.Pasinetti, Pedro MarceloGrumbine Jr., D. W. Wunderlich, F.DimerAdsorptionSquare Latticehttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Dimer adsorption on surfaces simulates the adsorption of particles that bind onto two nearest-neighbor sites. In 1993, we constructed a transfer matrix (T-matrix) for the study of dimers on stepped surfaces, consisting of M-sites wide square terraces, considering only first-neighbor interaction energies. Here, we consider a more realistic model by including both first- and second-neighbor interaction energies, V and W. The non-trivial construction of the T-matrix to include second-neighbor interactions is used to obtain the low-temperature energy phase diagrams of the dimer system for any M , when first-neighbors are attractive, and for values of M<7 when first-neighbors are repulsive. New crystallization patterns and phases are observed and extrapolated to infinite M. Monte Carlo simulation techniques confirm our T-matrix results, but the T-matrix method is found to be computationally more efficient and more precise. However, Monte Carlo parallel tempering simulations combined with finite-size scaling, while limited in precision, are more efficient to obtain the critical temperature of the various order–disorder transitions as a function of W/|V|, from the study of the heat capacity and the order parameter as functions of temperature. We also discuss the relevance of these results to experiments.Fil: Phares, A. J.. Villanova University; Estados UnidosFil: Pasinetti, Pedro Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaFil: Grumbine Jr., D. W. . Saint Vincent College; Estados UnidosFil: Wunderlich, F.. Villanova University; Estados UnidosElsevier Science2011-03info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/14086Phares, A. J.; Pasinetti, Pedro Marcelo; Grumbine Jr., D. W. ; Wunderlich, F.; Dimer adsorption on square surfaces with first- and second-neighbor interactions; Elsevier Science; Physica B: Condensed Matter; 406; 5; 3-2011; 1096-11050921-4526enginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.physb.2010.12.053info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0921452610012330info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:33:33Zoai:ri.conicet.gov.ar:11336/14086instacron: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 09:33:34.237CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Dimer adsorption on square surfaces with first- and second-neighbor interactions
title Dimer adsorption on square surfaces with first- and second-neighbor interactions
spellingShingle Dimer adsorption on square surfaces with first- and second-neighbor interactions
Phares, A. J.
Dimer
Adsorption
Square Lattice
title_short Dimer adsorption on square surfaces with first- and second-neighbor interactions
title_full Dimer adsorption on square surfaces with first- and second-neighbor interactions
title_fullStr Dimer adsorption on square surfaces with first- and second-neighbor interactions
title_full_unstemmed Dimer adsorption on square surfaces with first- and second-neighbor interactions
title_sort Dimer adsorption on square surfaces with first- and second-neighbor interactions
dc.creator.none.fl_str_mv Phares, A. J.
Pasinetti, Pedro Marcelo
Grumbine Jr., D. W.
Wunderlich, F.
author Phares, A. J.
author_facet Phares, A. J.
Pasinetti, Pedro Marcelo
Grumbine Jr., D. W.
Wunderlich, F.
author_role author
author2 Pasinetti, Pedro Marcelo
Grumbine Jr., D. W.
Wunderlich, F.
author2_role author
author
author
dc.subject.none.fl_str_mv Dimer
Adsorption
Square Lattice
topic Dimer
Adsorption
Square Lattice
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Dimer adsorption on surfaces simulates the adsorption of particles that bind onto two nearest-neighbor sites. In 1993, we constructed a transfer matrix (T-matrix) for the study of dimers on stepped surfaces, consisting of M-sites wide square terraces, considering only first-neighbor interaction energies. Here, we consider a more realistic model by including both first- and second-neighbor interaction energies, V and W. The non-trivial construction of the T-matrix to include second-neighbor interactions is used to obtain the low-temperature energy phase diagrams of the dimer system for any M , when first-neighbors are attractive, and for values of M<7 when first-neighbors are repulsive. New crystallization patterns and phases are observed and extrapolated to infinite M. Monte Carlo simulation techniques confirm our T-matrix results, but the T-matrix method is found to be computationally more efficient and more precise. However, Monte Carlo parallel tempering simulations combined with finite-size scaling, while limited in precision, are more efficient to obtain the critical temperature of the various order–disorder transitions as a function of W/|V|, from the study of the heat capacity and the order parameter as functions of temperature. We also discuss the relevance of these results to experiments.
Fil: Phares, A. J.. Villanova University; Estados Unidos
Fil: Pasinetti, Pedro Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Grumbine Jr., D. W. . Saint Vincent College; Estados Unidos
Fil: Wunderlich, F.. Villanova University; Estados Unidos
description Dimer adsorption on surfaces simulates the adsorption of particles that bind onto two nearest-neighbor sites. In 1993, we constructed a transfer matrix (T-matrix) for the study of dimers on stepped surfaces, consisting of M-sites wide square terraces, considering only first-neighbor interaction energies. Here, we consider a more realistic model by including both first- and second-neighbor interaction energies, V and W. The non-trivial construction of the T-matrix to include second-neighbor interactions is used to obtain the low-temperature energy phase diagrams of the dimer system for any M , when first-neighbors are attractive, and for values of M<7 when first-neighbors are repulsive. New crystallization patterns and phases are observed and extrapolated to infinite M. Monte Carlo simulation techniques confirm our T-matrix results, but the T-matrix method is found to be computationally more efficient and more precise. However, Monte Carlo parallel tempering simulations combined with finite-size scaling, while limited in precision, are more efficient to obtain the critical temperature of the various order–disorder transitions as a function of W/|V|, from the study of the heat capacity and the order parameter as functions of temperature. We also discuss the relevance of these results to experiments.
publishDate 2011
dc.date.none.fl_str_mv 2011-03
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/11336/14086
Phares, A. J.; Pasinetti, Pedro Marcelo; Grumbine Jr., D. W. ; Wunderlich, F.; Dimer adsorption on square surfaces with first- and second-neighbor interactions; Elsevier Science; Physica B: Condensed Matter; 406; 5; 3-2011; 1096-1105
0921-4526
url http://hdl.handle.net/11336/14086
identifier_str_mv Phares, A. J.; Pasinetti, Pedro Marcelo; Grumbine Jr., D. W. ; Wunderlich, F.; Dimer adsorption on square surfaces with first- and second-neighbor interactions; Elsevier Science; Physica B: Condensed Matter; 406; 5; 3-2011; 1096-1105
0921-4526
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.physb.2010.12.053
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0921452610012330
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
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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