Interplay between structure and density anomaly for an isotropic core-softened ramp-like potential.
Autor(a) principal: | |
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Data de Publicação: | 2007 |
Outros Autores: | , |
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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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 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.source.none.fl_str_mv |
reponame:Repositório Institucional da UFOP instname:Universidade Federal de Ouro Preto (UFOP) instacron:UFOP |
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Universidade Federal de Ouro Preto (UFOP) |
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UFOP |
institution |
UFOP |
reponame_str |
Repositório Institucional da UFOP |
collection |
Repositório Institucional da UFOP |
bitstream.url.fl_str_mv |
http://www.repositorio.ufop.br/bitstream/123456789/1486/5/license.txt http://www.repositorio.ufop.br/bitstream/123456789/1486/1/ARTIGO_InterplayBetweenStructure.pdf |
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Repositório Institucional da UFOP - Universidade Federal de Ouro Preto (UFOP) |
repository.mail.fl_str_mv |
repositorio@ufop.edu.br |
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