A single-walker approach for studying quasi-nonergodic systems
Nature Publishing Group
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Rimas, Z., & Taraskin, S. (2017). A single-walker approach for studying quasi-nonergodic systems. Scientific Reports, 7 (2242)https://doi.org/10.1038/s41598-017-01704-5
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.
computational science, phase transitions and critical phenomena, statistical physics
The work has been supported by a grant from EPSRC.
External DOI: https://doi.org/10.1038/s41598-017-01704-5
This record's URL: https://www.repository.cam.ac.uk/handle/1810/265109