Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Pruteanu, Ciprian G., Bannerman, Marcus N., Kirsz, Marcin, Lue, Leo, Ackland, Graeme J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
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
_version_ 1785020303484649472
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
work_keys_str_mv AT pruteanucipriang fromatomstocolloidsdoesthefrenkellineexistindiscontinuouspotentials
AT bannermanmarcusn fromatomstocolloidsdoesthefrenkellineexistindiscontinuouspotentials
AT kirszmarcin fromatomstocolloidsdoesthefrenkellineexistindiscontinuouspotentials
AT lueleo fromatomstocolloidsdoesthefrenkellineexistindiscontinuouspotentials
AT acklandgraemej fromatomstocolloidsdoesthefrenkellineexistindiscontinuouspotentials