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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/14086
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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) |
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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 |