Developments in Wang-Landau simulations of a simple continuous homopolymer

Developments in Wang-Landau simulations of a simple continuous homopolymer

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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Main Authors: Seaton,D. T., Mitchell,S. J., Landau,D. P.
Format: Digital revista
Language:English
Published: Sociedade Brasileira de Física 2008
Online Access:http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332008000100009
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spelling oai:scielo:S0103-973320080001000092008-03-27Developments in Wang-Landau simulations of a simple continuous homopolymerSeaton,D. T.Mitchell,S. J.Landau,D. P. Homopolymer chain Wang-Landau method Coil-globule transition Solid-liquid transition 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.info:eu-repo/semantics/openAccessSociedade Brasileira de FísicaBrazilian Journal of Physics v.38 n.1 20082008-03-01info:eu-repo/semantics/articletext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332008000100009en10.1590/S0103-97332008000100009
institution SCIELO
collection OJS
country Brasil
countrycode BR
component Revista
access En linea
databasecode rev-scielo-br
tag revista
region America del Sur
libraryname SciELO
language English
format Digital
author Seaton,D. T.
Mitchell,S. J.
Landau,D. P.
spellingShingle Seaton,D. T.
Mitchell,S. J.
Landau,D. P.
Developments in Wang-Landau simulations of a simple continuous homopolymer
author_facet Seaton,D. T.
Mitchell,S. J.
Landau,D. P.
author_sort Seaton,D. T.
title Developments in Wang-Landau simulations of a simple continuous homopolymer
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
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.
publisher Sociedade Brasileira de Física
publishDate 2008
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332008000100009
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AT mitchellsj developmentsinwanglandausimulationsofasimplecontinuoushomopolymer
AT landaudp developmentsinwanglandausimulationsofasimplecontinuoushomopolymer
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