Developments in Wang-Landau simulations of a simple continuous homopolymer

Detalhes bibliográficos
Autor(a) principal: Seaton,D. T.
Data de Publicação: 2008
Outros Autores: Mitchell,S. J., Landau,D. P.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Brazilian Journal of Physics
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332008000100009
Resumo: The Wang-Landau method is used to study thermodynamic properties of a three-dimensional flexible homopolymer chain with continuous monomer positions. Results describing the coil-globule and solid-liquid transitions are presented for chain lengths up to N = 100. In order to elucidate the thermodynamic behavior, finite chain length effects and the influence of the energy range over which the density of states is determined are carefully analyzed. Simulation efficiency is also studied and it is shown that setting the natural logarithm of the final modification factor equal to 10-6 is an appropriate choice for this model.
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spelling Developments in Wang-Landau simulations of a simple continuous homopolymerHomopolymer chainWang-Landau methodCoil-globule transitionSolid-liquid transitionThe Wang-Landau method is used to study thermodynamic properties of a three-dimensional flexible homopolymer chain with continuous monomer positions. Results describing the coil-globule and solid-liquid transitions are presented for chain lengths up to N = 100. In order to elucidate the thermodynamic behavior, finite chain length effects and the influence of the energy range over which the density of states is determined are carefully analyzed. Simulation efficiency is also studied and it is shown that setting the natural logarithm of the final modification factor equal to 10-6 is an appropriate choice for this model.Sociedade Brasileira de Física2008-03-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332008000100009Brazilian Journal of Physics v.38 n.1 2008reponame:Brazilian Journal of Physicsinstname:Sociedade Brasileira de Física (SBF)instacron:SBF10.1590/S0103-97332008000100009info:eu-repo/semantics/openAccessSeaton,D. T.Mitchell,S. J.Landau,D. P.eng2008-03-27T00:00:00Zoai:scielo:S0103-97332008000100009Revistahttp://www.sbfisica.org.br/v1/home/index.php/pt/ONGhttps://old.scielo.br/oai/scielo-oai.phpsbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br1678-44480103-9733opendoar:2008-03-27T00:00Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)false
dc.title.none.fl_str_mv Developments in Wang-Landau simulations of a simple continuous homopolymer
title Developments in Wang-Landau simulations of a simple continuous homopolymer
spellingShingle Developments in Wang-Landau simulations of a simple continuous homopolymer
Seaton,D. T.
Homopolymer chain
Wang-Landau method
Coil-globule transition
Solid-liquid transition
title_short Developments in Wang-Landau simulations of a simple continuous homopolymer
title_full Developments in Wang-Landau simulations of a simple continuous homopolymer
title_fullStr Developments in Wang-Landau simulations of a simple continuous homopolymer
title_full_unstemmed Developments in Wang-Landau simulations of a simple continuous homopolymer
title_sort Developments in Wang-Landau simulations of a simple continuous homopolymer
author Seaton,D. T.
author_facet Seaton,D. T.
Mitchell,S. J.
Landau,D. P.
author_role author
author2 Mitchell,S. J.
Landau,D. P.
author2_role author
author
dc.contributor.author.fl_str_mv Seaton,D. T.
Mitchell,S. J.
Landau,D. P.
dc.subject.por.fl_str_mv Homopolymer chain
Wang-Landau method
Coil-globule transition
Solid-liquid transition
topic Homopolymer chain
Wang-Landau method
Coil-globule transition
Solid-liquid transition
description The Wang-Landau method is used to study thermodynamic properties of a three-dimensional flexible homopolymer chain with continuous monomer positions. Results describing the coil-globule and solid-liquid transitions are presented for chain lengths up to N = 100. In order to elucidate the thermodynamic behavior, finite chain length effects and the influence of the energy range over which the density of states is determined are carefully analyzed. Simulation efficiency is also studied and it is shown that setting the natural logarithm of the final modification factor equal to 10-6 is an appropriate choice for this model.
publishDate 2008
dc.date.none.fl_str_mv 2008-03-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332008000100009
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332008000100009
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/S0103-97332008000100009
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Física
publisher.none.fl_str_mv Sociedade Brasileira de Física
dc.source.none.fl_str_mv Brazilian Journal of Physics v.38 n.1 2008
reponame:Brazilian Journal of Physics
instname:Sociedade Brasileira de Física (SBF)
instacron:SBF
instname_str Sociedade Brasileira de Física (SBF)
instacron_str SBF
institution SBF
reponame_str Brazilian Journal of Physics
collection Brazilian Journal of Physics
repository.name.fl_str_mv Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)
repository.mail.fl_str_mv sbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br
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