https://doi.org/10.1140/epjb/s10051-023-00625-9
Regular Article - Solid State and Materials
Monte Carlo simulation of hard-, square-well, and square-shoulder disks in narrow channels
Dipartimento di Fisica, Università di Trieste, strada, Costiera 11, Grignano, 34151, Trieste, Italy
a
riccardo.fantoni@posta.istruzione.it
Received:
5
October
2023
Accepted:
17
November
2023
Published online:
28
November
2023
We perform Monte Carlo simulation of the thermodynamic and structural properties of hard-, square-well, and square-shoulder disks in narrow channels. For the thermodynamics, we study the internal energy per particle and the longitudinal and transverse compressibility factor. For the structure, we study the transverse density and density of pairs profiles, the radial distribution function and longitudinal distribution function, and the (static) longitudinal structure factor. We compare our results with a recent exact semi-analytic solution found by Montero and Santos for the single file formation and first nearest neighbor fluid, and explore how their solution performs when these conditions are not fulfilled making it just an approximation.
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© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
