A single-walker approach for studying quasi-nonergodic systems

Abstract 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 algo...

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Autores principales:	Zilvinas Rimas, Sergei N. Taraskin
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/6c61561f067c4db2ad1e39f4de19589e
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spelling	oai:doaj.org-article:6c61561f067c4db2ad1e39f4de19589e2021-12-02T11:52:58ZA single-walker approach for studying quasi-nonergodic systems10.1038/s41598-017-01704-52045-2322https://doaj.org/article/6c61561f067c4db2ad1e39f4de19589e2017-05-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-01704-5https://doaj.org/toc/2045-2322Abstract 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.Zilvinas RimasSergei N. TaraskinNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-12 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Zilvinas Rimas Sergei N. Taraskin A single-walker approach for studying quasi-nonergodic systems
description	Abstract 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.
format	article
author	Zilvinas Rimas Sergei N. Taraskin
author_facet	Zilvinas Rimas Sergei N. Taraskin
author_sort	Zilvinas Rimas
title	A single-walker approach for studying quasi-nonergodic systems
title_short	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_sort	single-walker approach for studying quasi-nonergodic systems
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/6c61561f067c4db2ad1e39f4de19589e
work_keys_str_mv	AT zilvinasrimas asinglewalkerapproachforstudyingquasinonergodicsystems AT sergeintaraskin asinglewalkerapproachforstudyingquasinonergodicsystems AT zilvinasrimas singlewalkerapproachforstudyingquasinonergodicsystems AT sergeintaraskin singlewalkerapproachforstudyingquasinonergodicsystems
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A single-walker approach for studying quasi-nonergodic systems

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