A single-walker approach for studying quasi-nonergodic systems

The jump-walking Monte-Carlo algorithm is revisited and updated to study the equilibrium properties of systems exhibiting quasi-nonergodicity. It is designed for a single processing thread as opposed to currently predominant algorithms for large parallel processing systems. The updated algorithm is...

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Detalles Bibliográficos
Autores principales: Rimas, Zilvinas, Taraskin, Sergei N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5440385/
https://www.ncbi.nlm.nih.gov/pubmed/28533539
http://dx.doi.org/10.1038/s41598-017-01704-5
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author Rimas, Zilvinas
Taraskin, Sergei N.
author_facet Rimas, Zilvinas
Taraskin, Sergei N.
author_sort Rimas, Zilvinas
collection PubMed
description The jump-walking Monte-Carlo algorithm is revisited and updated to study the equilibrium properties of systems exhibiting quasi-nonergodicity. It is designed for a single processing thread as opposed to currently predominant algorithms for large parallel processing systems. The updated algorithm is tested on the Ising model and applied to the lattice-gas model for sorption in aerogel at low temperatures, when dynamics of the system is critically slowed down. It is demonstrated that the updated jump-walking simulations are able to produce equilibrium isotherms which are typically hidden by the hysteresis effect characteristic of the standard single-flip simulations.
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spelling pubmed-54403852017-05-25 A single-walker approach for studying quasi-nonergodic systems Rimas, Zilvinas Taraskin, Sergei N. Sci Rep Article The jump-walking Monte-Carlo algorithm is revisited and updated to study the equilibrium properties of systems exhibiting quasi-nonergodicity. It is designed for a single processing thread as opposed to currently predominant algorithms for large parallel processing systems. The updated algorithm is tested on the Ising model and applied to the lattice-gas model for sorption in aerogel at low temperatures, when dynamics of the system is critically slowed down. It is demonstrated that the updated jump-walking simulations are able to produce equilibrium isotherms which are typically hidden by the hysteresis effect characteristic of the standard single-flip simulations. Nature Publishing Group UK 2017-05-22 /pmc/articles/PMC5440385/ /pubmed/28533539 http://dx.doi.org/10.1038/s41598-017-01704-5 Text en © The Author(s) 2017 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Rimas, Zilvinas
Taraskin, Sergei N.
A single-walker approach for studying quasi-nonergodic systems
title A single-walker approach for studying quasi-nonergodic systems
title_full A single-walker approach for studying quasi-nonergodic systems
title_fullStr A single-walker approach for studying quasi-nonergodic systems
title_full_unstemmed A single-walker approach for studying quasi-nonergodic systems
title_short A single-walker approach for studying quasi-nonergodic systems
title_sort single-walker approach for studying quasi-nonergodic systems
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5440385/
https://www.ncbi.nlm.nih.gov/pubmed/28533539
http://dx.doi.org/10.1038/s41598-017-01704-5
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