Monte Carlo simulation of Hard-, Square-Well, and Square-Shoulder Disks in narrow channels
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arXiv
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| Format: | Preprint |
| Veröffentlicht: |
2023
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| _version_ | 1866910406754172928 |
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| author | Fantoni, Riccardo |
| author_facet | Fantoni, Riccardo |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2307_14358 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Monte Carlo simulation of Hard-, Square-Well, and Square-Shoulder Disks in narrow channels Fantoni, Riccardo Statistical Mechanics Materials Science Soft Condensed Matter Chemical Physics Computational Physics 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. |
| title | Monte Carlo simulation of Hard-, Square-Well, and Square-Shoulder Disks in narrow channels |
| topic | Statistical Mechanics Materials Science Soft Condensed Matter Chemical Physics Computational Physics |
| url | https://arxiv.org/abs/2307.14358 |