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From Atoms to Colloids: Does the Frenkel Line Exist in Discontinuous Potentials?
[Image: see text] The Frenkel line has been proposed as a crossover in the fluid region of phase diagrams between a “nonrigid” and a “rigid” fluid. It is generally described as a crossover in the dynamical properties of a material and as such has been described theoretically using a very different s...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10077443/ https://www.ncbi.nlm.nih.gov/pubmed/37033816 http://dx.doi.org/10.1021/acsomega.2c08056 |
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author | Pruteanu, Ciprian G. Bannerman, Marcus N. Kirsz, Marcin Lue, Leo Ackland, Graeme J. |
author_facet | Pruteanu, Ciprian G. Bannerman, Marcus N. Kirsz, Marcin Lue, Leo Ackland, Graeme J. |
author_sort | Pruteanu, Ciprian G. |
collection | PubMed |
description | [Image: see text] The Frenkel line has been proposed as a crossover in the fluid region of phase diagrams between a “nonrigid” and a “rigid” fluid. It is generally described as a crossover in the dynamical properties of a material and as such has been described theoretically using a very different set of markers from those with which is it investigated experimentally. In this study, we have performed extensive calculations using two simple yet fundamentally different model systems: hard spheres and square-well potentials. The former has only hardcore repulsion, while the latter also includes a simple model of attraction. We computed and analyzed a series of physical properties used previously in simulations and experimental measurements and discuss critically their correlations and validity as to being able to uniquely and coherently locate the Frenkel line in discontinuous potentials. |
format | Online Article Text |
id | pubmed-10077443 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-100774432023-04-07 From Atoms to Colloids: Does the Frenkel Line Exist in Discontinuous Potentials? Pruteanu, Ciprian G. Bannerman, Marcus N. Kirsz, Marcin Lue, Leo Ackland, Graeme J. ACS Omega [Image: see text] The Frenkel line has been proposed as a crossover in the fluid region of phase diagrams between a “nonrigid” and a “rigid” fluid. It is generally described as a crossover in the dynamical properties of a material and as such has been described theoretically using a very different set of markers from those with which is it investigated experimentally. In this study, we have performed extensive calculations using two simple yet fundamentally different model systems: hard spheres and square-well potentials. The former has only hardcore repulsion, while the latter also includes a simple model of attraction. We computed and analyzed a series of physical properties used previously in simulations and experimental measurements and discuss critically their correlations and validity as to being able to uniquely and coherently locate the Frenkel line in discontinuous potentials. American Chemical Society 2023-03-23 /pmc/articles/PMC10077443/ /pubmed/37033816 http://dx.doi.org/10.1021/acsomega.2c08056 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Pruteanu, Ciprian G. Bannerman, Marcus N. Kirsz, Marcin Lue, Leo Ackland, Graeme J. From Atoms to Colloids: Does the Frenkel Line Exist in Discontinuous Potentials? |
title | From Atoms to Colloids:
Does the Frenkel Line Exist
in Discontinuous Potentials? |
title_full | From Atoms to Colloids:
Does the Frenkel Line Exist
in Discontinuous Potentials? |
title_fullStr | From Atoms to Colloids:
Does the Frenkel Line Exist
in Discontinuous Potentials? |
title_full_unstemmed | From Atoms to Colloids:
Does the Frenkel Line Exist
in Discontinuous Potentials? |
title_short | From Atoms to Colloids:
Does the Frenkel Line Exist
in Discontinuous Potentials? |
title_sort | from atoms to colloids:
does the frenkel line exist
in discontinuous potentials? |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10077443/ https://www.ncbi.nlm.nih.gov/pubmed/37033816 http://dx.doi.org/10.1021/acsomega.2c08056 |
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