Interplay between structure and density anomaly for an isotropic core-softened ramp-like potential.

Detalhes bibliográficos
Autor(a) principal: Oliveira, Alan Barros de
Data de Publicação: 2007
Outros Autores: Barbosa, Márcia Cristina Bernardes, Netz, Paulo Augusto
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFOP
Texto Completo: http://www.repositorio.ufop.br/handle/123456789/1486
Resumo: Using molecular dynamics simulations and integral equations wee investigate the structure, the thermodynamics, and the dynamics of a system of particles interacting through a continuous core-softened ramp-like interparticle potential. We found density, dynamic and structural anomalies similar to that found in water. Analysis of the radial distribution function for several temperatures at fixed densities shows a pattern that may be related to the origin of density anomaly.
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spelling Oliveira, Alan Barros deBarbosa, Márcia Cristina BernardesNetz, Paulo Augusto2012-10-01T15:25:09Z2012-10-01T15:25:09Z2007OLIVEIRA, A. B. de; BARBOSA, M. C. B.; NETZ, P. A. Interplay between structure and density anomaly for an isotropic core-softened ramp-like potential. Physica. A: Statistical Mechanics and its Applications, v. 386, n. 2, p. 744-747, dez. 2007. Disponível em: <https://www.sciencedirect.com/science/article/pii/S0378437107007753>. Acesso em: 01 out. 2012.03784371http://www.repositorio.ufop.br/handle/123456789/1486Using molecular dynamics simulations and integral equations wee investigate the structure, the thermodynamics, and the dynamics of a system of particles interacting through a continuous core-softened ramp-like interparticle potential. We found density, dynamic and structural anomalies similar to that found in water. Analysis of the radial distribution function for several temperatures at fixed densities shows a pattern that may be related to the origin of density anomaly.AnomaliesCore-softened potentialsMolecular dynamicsInterplay between structure and density anomaly for an isotropic core-softened ramp-like potential.info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleO periódico Physica. A: Statistical Mechanics and its Applications concede permissão para depósito do artigo no Repositório Institucional da UFOP. Número da licença: 3345300918460.info:eu-repo/semantics/openAccessengreponame:Repositório Institucional da UFOPinstname:Universidade Federal de Ouro Preto (UFOP)instacron:UFOPLICENSElicense.txtlicense.txttext/plain; charset=utf-81748http://www.repositorio.ufop.br/bitstream/123456789/1486/5/license.txt8a4605be74aa9ea9d79846c1fba20a33MD55ORIGINALARTIGO_InterplayBetweenStructure.pdfARTIGO_InterplayBetweenStructure.pdfapplication/pdf134801http://www.repositorio.ufop.br/bitstream/123456789/1486/1/ARTIGO_InterplayBetweenStructure.pdf4dd3fdb76f0e814afa71ccb21461b965MD51123456789/14862019-03-11 11:11:21.396oai:localhost: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Repositório InstitucionalPUBhttp://www.repositorio.ufop.br/oai/requestrepositorio@ufop.edu.bropendoar:32332019-03-11T15:11:21Repositório Institucional da UFOP - Universidade Federal de Ouro Preto (UFOP)false
dc.title.pt_BR.fl_str_mv Interplay between structure and density anomaly for an isotropic core-softened ramp-like potential.
title Interplay between structure and density anomaly for an isotropic core-softened ramp-like potential.
spellingShingle Interplay between structure and density anomaly for an isotropic core-softened ramp-like potential.
Oliveira, Alan Barros de
Anomalies
Core-softened potentials
Molecular dynamics
title_short Interplay between structure and density anomaly for an isotropic core-softened ramp-like potential.
title_full Interplay between structure and density anomaly for an isotropic core-softened ramp-like potential.
title_fullStr Interplay between structure and density anomaly for an isotropic core-softened ramp-like potential.
title_full_unstemmed Interplay between structure and density anomaly for an isotropic core-softened ramp-like potential.
title_sort Interplay between structure and density anomaly for an isotropic core-softened ramp-like potential.
author Oliveira, Alan Barros de
author_facet Oliveira, Alan Barros de
Barbosa, Márcia Cristina Bernardes
Netz, Paulo Augusto
author_role author
author2 Barbosa, Márcia Cristina Bernardes
Netz, Paulo Augusto
author2_role author
author
dc.contributor.author.fl_str_mv Oliveira, Alan Barros de
Barbosa, Márcia Cristina Bernardes
Netz, Paulo Augusto
dc.subject.por.fl_str_mv Anomalies
Core-softened potentials
Molecular dynamics
topic Anomalies
Core-softened potentials
Molecular dynamics
description Using molecular dynamics simulations and integral equations wee investigate the structure, the thermodynamics, and the dynamics of a system of particles interacting through a continuous core-softened ramp-like interparticle potential. We found density, dynamic and structural anomalies similar to that found in water. Analysis of the radial distribution function for several temperatures at fixed densities shows a pattern that may be related to the origin of density anomaly.
publishDate 2007
dc.date.issued.fl_str_mv 2007
dc.date.accessioned.fl_str_mv 2012-10-01T15:25:09Z
dc.date.available.fl_str_mv 2012-10-01T15:25:09Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.citation.fl_str_mv OLIVEIRA, A. B. de; BARBOSA, M. C. B.; NETZ, P. A. Interplay between structure and density anomaly for an isotropic core-softened ramp-like potential. Physica. A: Statistical Mechanics and its Applications, v. 386, n. 2, p. 744-747, dez. 2007. Disponível em: <https://www.sciencedirect.com/science/article/pii/S0378437107007753>. Acesso em: 01 out. 2012.
dc.identifier.uri.fl_str_mv http://www.repositorio.ufop.br/handle/123456789/1486
dc.identifier.issn.none.fl_str_mv 03784371
identifier_str_mv OLIVEIRA, A. B. de; BARBOSA, M. C. B.; NETZ, P. A. Interplay between structure and density anomaly for an isotropic core-softened ramp-like potential. Physica. A: Statistical Mechanics and its Applications, v. 386, n. 2, p. 744-747, dez. 2007. Disponível em: <https://www.sciencedirect.com/science/article/pii/S0378437107007753>. Acesso em: 01 out. 2012.
03784371
url http://www.repositorio.ufop.br/handle/123456789/1486
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dc.source.none.fl_str_mv reponame:Repositório Institucional da UFOP
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http://www.repositorio.ufop.br/bitstream/123456789/1486/1/ARTIGO_InterplayBetweenStructure.pdf
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