One-dimensional diffusion: Discrepancy between exact results and Monte Carlo calculations
- Autores
- Torrez Herrera, J. J.; Ranzuglia, G. A.; Manzi, Sergio Javier; Pereyra, Victor Daniel
- Año de publicación
- 2011
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- The exact expression for the collective diffusion coefficient in one dimension, obtained by Payne and Kreuzer [Phys. Rev. B. 75, 115403 (2007)], is compared with Monte Carlo simulation. Different hopping kinetics are analyzed. For initial- and final-state interaction kinetics no anomalies are observed. However, for the so-called interaction kinetics where both initial- and final-state interactions are involved, it is shown that even when the transition rates satisfy the principle of detail balance, additional constraints are necessary to guarantee the diffusion of particles. These restrictions give rise to a phase diagram that determines the regions where the exact solution of the diffusion coefficient seem to be not physically sound. The Monte Carlo simulation allows us to analyze the mechanism of diffusion in these regions, where in some cases the simulation does not match the exact solution. A possible explanation is presented.
Fil: Torrez Herrera, J. J.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina
Fil: Ranzuglia, G. A.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina
Fil: Manzi, Sergio Javier. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina
Fil: Pereyra, Victor Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina - Materia
-
Diffusion
Monte Carlo
Master Equation - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/14101
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One-dimensional diffusion: Discrepancy between exact results and Monte Carlo calculationsTorrez Herrera, J. J.Ranzuglia, G. A.Manzi, Sergio JavierPereyra, Victor DanielDiffusionMonte CarloMaster Equationhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The exact expression for the collective diffusion coefficient in one dimension, obtained by Payne and Kreuzer [Phys. Rev. B. 75, 115403 (2007)], is compared with Monte Carlo simulation. Different hopping kinetics are analyzed. For initial- and final-state interaction kinetics no anomalies are observed. However, for the so-called interaction kinetics where both initial- and final-state interactions are involved, it is shown that even when the transition rates satisfy the principle of detail balance, additional constraints are necessary to guarantee the diffusion of particles. These restrictions give rise to a phase diagram that determines the regions where the exact solution of the diffusion coefficient seem to be not physically sound. The Monte Carlo simulation allows us to analyze the mechanism of diffusion in these regions, where in some cases the simulation does not match the exact solution. A possible explanation is presented.Fil: Torrez Herrera, J. J.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; ArgentinaFil: Ranzuglia, G. A.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; ArgentinaFil: Manzi, Sergio Javier. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; ArgentinaFil: Pereyra, Victor Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; ArgentinaAmerican Physical Society2011-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/14101Torrez Herrera, J. J.; Ranzuglia, G. A.; Manzi, Sergio Javier; Pereyra, Victor Daniel; One-dimensional diffusion: Discrepancy between exact results and Monte Carlo calculations; American Physical Society; Physical Review E: Statistical Physics, Plasmas, Fluids And Related Interdisciplinary Topics; 84; 5; 11-2011; 511021-5110271063-651Xenginfo:eu-repo/semantics/altIdentifier/url/http://journals.aps.org/pre/abstract/10.1103/PhysRevE.84.051102info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevE.84.051102info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:32:38Zoai:ri.conicet.gov.ar:11336/14101instacron: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 09:32:38.643CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
One-dimensional diffusion: Discrepancy between exact results and Monte Carlo calculations |
title |
One-dimensional diffusion: Discrepancy between exact results and Monte Carlo calculations |
spellingShingle |
One-dimensional diffusion: Discrepancy between exact results and Monte Carlo calculations Torrez Herrera, J. J. Diffusion Monte Carlo Master Equation |
title_short |
One-dimensional diffusion: Discrepancy between exact results and Monte Carlo calculations |
title_full |
One-dimensional diffusion: Discrepancy between exact results and Monte Carlo calculations |
title_fullStr |
One-dimensional diffusion: Discrepancy between exact results and Monte Carlo calculations |
title_full_unstemmed |
One-dimensional diffusion: Discrepancy between exact results and Monte Carlo calculations |
title_sort |
One-dimensional diffusion: Discrepancy between exact results and Monte Carlo calculations |
dc.creator.none.fl_str_mv |
Torrez Herrera, J. J. Ranzuglia, G. A. Manzi, Sergio Javier Pereyra, Victor Daniel |
author |
Torrez Herrera, J. J. |
author_facet |
Torrez Herrera, J. J. Ranzuglia, G. A. Manzi, Sergio Javier Pereyra, Victor Daniel |
author_role |
author |
author2 |
Ranzuglia, G. A. Manzi, Sergio Javier Pereyra, Victor Daniel |
author2_role |
author author author |
dc.subject.none.fl_str_mv |
Diffusion Monte Carlo Master Equation |
topic |
Diffusion Monte Carlo Master Equation |
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 exact expression for the collective diffusion coefficient in one dimension, obtained by Payne and Kreuzer [Phys. Rev. B. 75, 115403 (2007)], is compared with Monte Carlo simulation. Different hopping kinetics are analyzed. For initial- and final-state interaction kinetics no anomalies are observed. However, for the so-called interaction kinetics where both initial- and final-state interactions are involved, it is shown that even when the transition rates satisfy the principle of detail balance, additional constraints are necessary to guarantee the diffusion of particles. These restrictions give rise to a phase diagram that determines the regions where the exact solution of the diffusion coefficient seem to be not physically sound. The Monte Carlo simulation allows us to analyze the mechanism of diffusion in these regions, where in some cases the simulation does not match the exact solution. A possible explanation is presented. Fil: Torrez Herrera, J. J.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina Fil: Ranzuglia, G. A.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina Fil: Manzi, Sergio Javier. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina Fil: Pereyra, Victor Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina |
description |
The exact expression for the collective diffusion coefficient in one dimension, obtained by Payne and Kreuzer [Phys. Rev. B. 75, 115403 (2007)], is compared with Monte Carlo simulation. Different hopping kinetics are analyzed. For initial- and final-state interaction kinetics no anomalies are observed. However, for the so-called interaction kinetics where both initial- and final-state interactions are involved, it is shown that even when the transition rates satisfy the principle of detail balance, additional constraints are necessary to guarantee the diffusion of particles. These restrictions give rise to a phase diagram that determines the regions where the exact solution of the diffusion coefficient seem to be not physically sound. The Monte Carlo simulation allows us to analyze the mechanism of diffusion in these regions, where in some cases the simulation does not match the exact solution. A possible explanation is presented. |
publishDate |
2011 |
dc.date.none.fl_str_mv |
2011-11 |
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/11336/14101 Torrez Herrera, J. J.; Ranzuglia, G. A.; Manzi, Sergio Javier; Pereyra, Victor Daniel; One-dimensional diffusion: Discrepancy between exact results and Monte Carlo calculations; American Physical Society; Physical Review E: Statistical Physics, Plasmas, Fluids And Related Interdisciplinary Topics; 84; 5; 11-2011; 511021-511027 1063-651X |
url |
http://hdl.handle.net/11336/14101 |
identifier_str_mv |
Torrez Herrera, J. J.; Ranzuglia, G. A.; Manzi, Sergio Javier; Pereyra, Victor Daniel; One-dimensional diffusion: Discrepancy between exact results and Monte Carlo calculations; American Physical Society; Physical Review E: Statistical Physics, Plasmas, Fluids And Related Interdisciplinary Topics; 84; 5; 11-2011; 511021-511027 1063-651X |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/url/http://journals.aps.org/pre/abstract/10.1103/PhysRevE.84.051102 info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevE.84.051102 |
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 application/pdf |
dc.publisher.none.fl_str_mv |
American Physical Society |
publisher.none.fl_str_mv |
American Physical Society |
dc.source.none.fl_str_mv |
reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas |
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CONICET Digital (CONICET) |
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CONICET Digital (CONICET) |
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Consejo Nacional de Investigaciones Científicas y Técnicas |
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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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