Diffusion of particles adsorbed on a triangular lattice: Pairwise and three-particle interactions

Autores
Tarasenko, Alexander A.; Nieto Quintas, Felix Daniel; Jastrabík, Lubomír; Uebing, Christian
Año de publicación
2003
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In the present paper, the influence of both pairwise and three-particle interactions on the mobility of adsorbed particles diffusing on a lattice with triangular symmetry has been studied. Two different techniques has been used for describing the surface diffusion phenomenon. On one hand, explicit expressions for the chemical and jump diffusion coefficients have been calculated by using real-space renormalization group (RSRG) approach. A number of the RSRG transformations with blocks of different sizes and symmetries have been investigated. In particular, it has been shown that the precision of the method depends strongly not only on the number of sites in the RSRG blocks but also on their composition and structure. On the other hand, numerical simulations by using the Monte Carlo scheme has been used to simulate the process of particle migration. Using both methods, adsorption isotherms for different temperatures and the coverage dependencies for the thermodynamic factor and the chemical diffusion coefficient have been calculated. The behavior of the above mentioned quantities has been compared when the adparticles interact via only either pairwise or three-particle interactions. Despite the fact that both methods constitute very different approaches, the correspondence of numerical data with analytical results is surprisingly good. Therefore, it can be concluded that the RSRG method can be successfully applied for lattice gas systems to characterize the thermodynamic and kinetic properties of strongly interacting adsorbates.
Fil: Tarasenko, Alexander A.. Institute of Physics, National Academy of Sciences of Ukraine;; Ucrania. Institute of Physics, Academy of Sciences of the Czech Republic; República Checa
Fil: Nieto Quintas, Felix Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Fil: Jastrabík, Lubomír. Institute of Physics, Academy of Sciences of the Czech Republic; República Checa
Fil: Uebing, Christian. Rutgers University; Estados Unidos
Materia
ADSORPTION ISOTHERMS
ADSORPTION KINETICS
ISING MODELS
MONTE CARLO SIMULATIONS
SURFACE DIFFUSION
SURFACE THERMODYNAMICS (INCLUDING PHASE TRANSITIONS)
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:11336/138667
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Diffusion of particles adsorbed on a triangular lattice: Pairwise and three-particle interactionsTarasenko, Alexander A.Nieto Quintas, Felix DanielJastrabík, LubomírUebing, ChristianADSORPTION ISOTHERMSADSORPTION KINETICSISING MODELSMONTE CARLO SIMULATIONSSURFACE DIFFUSIONSURFACE THERMODYNAMICS (INCLUDING PHASE TRANSITIONS)https://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1In the present paper, the influence of both pairwise and three-particle interactions on the mobility of adsorbed particles diffusing on a lattice with triangular symmetry has been studied. Two different techniques has been used for describing the surface diffusion phenomenon. On one hand, explicit expressions for the chemical and jump diffusion coefficients have been calculated by using real-space renormalization group (RSRG) approach. A number of the RSRG transformations with blocks of different sizes and symmetries have been investigated. In particular, it has been shown that the precision of the method depends strongly not only on the number of sites in the RSRG blocks but also on their composition and structure. On the other hand, numerical simulations by using the Monte Carlo scheme has been used to simulate the process of particle migration. Using both methods, adsorption isotherms for different temperatures and the coverage dependencies for the thermodynamic factor and the chemical diffusion coefficient have been calculated. The behavior of the above mentioned quantities has been compared when the adparticles interact via only either pairwise or three-particle interactions. Despite the fact that both methods constitute very different approaches, the correspondence of numerical data with analytical results is surprisingly good. Therefore, it can be concluded that the RSRG method can be successfully applied for lattice gas systems to characterize the thermodynamic and kinetic properties of strongly interacting adsorbates.Fil: Tarasenko, Alexander A.. Institute of Physics, National Academy of Sciences of Ukraine;; Ucrania. Institute of Physics, Academy of Sciences of the Czech Republic; República ChecaFil: Nieto Quintas, Felix Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; ArgentinaFil: Jastrabík, Lubomír. Institute of Physics, Academy of Sciences of the Czech Republic; República ChecaFil: Uebing, Christian. Rutgers University; Estados UnidosElsevier Science2003-06-20info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/138667Tarasenko, Alexander A.; Nieto Quintas, Felix Daniel; Jastrabík, Lubomír; Uebing, Christian; Diffusion of particles adsorbed on a triangular lattice: Pairwise and three-particle interactions; Elsevier Science; Surface Science; 536; 1-3; 20-6-2003; 1-140039-6028CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0039602803005995info:eu-repo/semantics/altIdentifier/doi/10.1016/S0039-6028(03)00599-5info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:08:31Zoai:ri.conicet.gov.ar:11336/138667instacron: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 10:08:32.222CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Diffusion of particles adsorbed on a triangular lattice: Pairwise and three-particle interactions
title Diffusion of particles adsorbed on a triangular lattice: Pairwise and three-particle interactions
spellingShingle Diffusion of particles adsorbed on a triangular lattice: Pairwise and three-particle interactions
Tarasenko, Alexander A.
ADSORPTION ISOTHERMS
ADSORPTION KINETICS
ISING MODELS
MONTE CARLO SIMULATIONS
SURFACE DIFFUSION
SURFACE THERMODYNAMICS (INCLUDING PHASE TRANSITIONS)
title_short Diffusion of particles adsorbed on a triangular lattice: Pairwise and three-particle interactions
title_full Diffusion of particles adsorbed on a triangular lattice: Pairwise and three-particle interactions
title_fullStr Diffusion of particles adsorbed on a triangular lattice: Pairwise and three-particle interactions
title_full_unstemmed Diffusion of particles adsorbed on a triangular lattice: Pairwise and three-particle interactions
title_sort Diffusion of particles adsorbed on a triangular lattice: Pairwise and three-particle interactions
dc.creator.none.fl_str_mv Tarasenko, Alexander A.
Nieto Quintas, Felix Daniel
Jastrabík, Lubomír
Uebing, Christian
author Tarasenko, Alexander A.
author_facet Tarasenko, Alexander A.
Nieto Quintas, Felix Daniel
Jastrabík, Lubomír
Uebing, Christian
author_role author
author2 Nieto Quintas, Felix Daniel
Jastrabík, Lubomír
Uebing, Christian
author2_role author
author
author
dc.subject.none.fl_str_mv ADSORPTION ISOTHERMS
ADSORPTION KINETICS
ISING MODELS
MONTE CARLO SIMULATIONS
SURFACE DIFFUSION
SURFACE THERMODYNAMICS (INCLUDING PHASE TRANSITIONS)
topic ADSORPTION ISOTHERMS
ADSORPTION KINETICS
ISING MODELS
MONTE CARLO SIMULATIONS
SURFACE DIFFUSION
SURFACE THERMODYNAMICS (INCLUDING PHASE TRANSITIONS)
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In the present paper, the influence of both pairwise and three-particle interactions on the mobility of adsorbed particles diffusing on a lattice with triangular symmetry has been studied. Two different techniques has been used for describing the surface diffusion phenomenon. On one hand, explicit expressions for the chemical and jump diffusion coefficients have been calculated by using real-space renormalization group (RSRG) approach. A number of the RSRG transformations with blocks of different sizes and symmetries have been investigated. In particular, it has been shown that the precision of the method depends strongly not only on the number of sites in the RSRG blocks but also on their composition and structure. On the other hand, numerical simulations by using the Monte Carlo scheme has been used to simulate the process of particle migration. Using both methods, adsorption isotherms for different temperatures and the coverage dependencies for the thermodynamic factor and the chemical diffusion coefficient have been calculated. The behavior of the above mentioned quantities has been compared when the adparticles interact via only either pairwise or three-particle interactions. Despite the fact that both methods constitute very different approaches, the correspondence of numerical data with analytical results is surprisingly good. Therefore, it can be concluded that the RSRG method can be successfully applied for lattice gas systems to characterize the thermodynamic and kinetic properties of strongly interacting adsorbates.
Fil: Tarasenko, Alexander A.. Institute of Physics, National Academy of Sciences of Ukraine;; Ucrania. Institute of Physics, Academy of Sciences of the Czech Republic; República Checa
Fil: Nieto Quintas, Felix Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Fil: Jastrabík, Lubomír. Institute of Physics, Academy of Sciences of the Czech Republic; República Checa
Fil: Uebing, Christian. Rutgers University; Estados Unidos
description In the present paper, the influence of both pairwise and three-particle interactions on the mobility of adsorbed particles diffusing on a lattice with triangular symmetry has been studied. Two different techniques has been used for describing the surface diffusion phenomenon. On one hand, explicit expressions for the chemical and jump diffusion coefficients have been calculated by using real-space renormalization group (RSRG) approach. A number of the RSRG transformations with blocks of different sizes and symmetries have been investigated. In particular, it has been shown that the precision of the method depends strongly not only on the number of sites in the RSRG blocks but also on their composition and structure. On the other hand, numerical simulations by using the Monte Carlo scheme has been used to simulate the process of particle migration. Using both methods, adsorption isotherms for different temperatures and the coverage dependencies for the thermodynamic factor and the chemical diffusion coefficient have been calculated. The behavior of the above mentioned quantities has been compared when the adparticles interact via only either pairwise or three-particle interactions. Despite the fact that both methods constitute very different approaches, the correspondence of numerical data with analytical results is surprisingly good. Therefore, it can be concluded that the RSRG method can be successfully applied for lattice gas systems to characterize the thermodynamic and kinetic properties of strongly interacting adsorbates.
publishDate 2003
dc.date.none.fl_str_mv 2003-06-20
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/11336/138667
Tarasenko, Alexander A.; Nieto Quintas, Felix Daniel; Jastrabík, Lubomír; Uebing, Christian; Diffusion of particles adsorbed on a triangular lattice: Pairwise and three-particle interactions; Elsevier Science; Surface Science; 536; 1-3; 20-6-2003; 1-14
0039-6028
CONICET Digital
CONICET
url http://hdl.handle.net/11336/138667
identifier_str_mv Tarasenko, Alexander A.; Nieto Quintas, Felix Daniel; Jastrabík, Lubomír; Uebing, Christian; Diffusion of particles adsorbed on a triangular lattice: Pairwise and three-particle interactions; Elsevier Science; Surface Science; 536; 1-3; 20-6-2003; 1-14
0039-6028
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://www.sciencedirect.com/science/article/pii/S0039602803005995
info:eu-repo/semantics/altIdentifier/doi/10.1016/S0039-6028(03)00599-5
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 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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