Cargando…
Crystallisation and polymorph selection in active Brownian particles
We explore crystallisation and polymorph selection in active Brownian particles with numerical simulation. In agreement with previous work (Wysocki et al. in Europhys Lett 105:48004, 2014), we find that crystallisation is suppressed by activity and occurs at higher densities with increasing Péclet n...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer Berlin Heidelberg
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8476478/ https://www.ncbi.nlm.nih.gov/pubmed/34580776 http://dx.doi.org/10.1140/epje/s10189-021-00108-8 |
_version_ | 1784575623591624704 |
---|---|
author | Moore, Fergus J. Royall, C. Patrick Liverpool, Tanniemola B. Russo, John |
author_facet | Moore, Fergus J. Royall, C. Patrick Liverpool, Tanniemola B. Russo, John |
author_sort | Moore, Fergus J. |
collection | PubMed |
description | We explore crystallisation and polymorph selection in active Brownian particles with numerical simulation. In agreement with previous work (Wysocki et al. in Europhys Lett 105:48004, 2014), we find that crystallisation is suppressed by activity and occurs at higher densities with increasing Péclet number ([Formula: see text] ). While the nucleation rate decreases with increasing activity, the crystal growth rate increases due to the accelerated dynamics in the melt. As a result of this competition, we observe the transition from a nucleation and growth regime at high [Formula: see text] to “spinodal nucleation” at low [Formula: see text] . Unlike the case of passive hard spheres, where preference for FCC over HCP polymorphs is weak, activity causes the annealing of HCP stacking faults, thus strongly favouring the FCC symmetry at high [Formula: see text] . When freezing occurs more slowly, in the nucleation and growth regime, this tendency is much reduced and we see a trend towards the passive case of little preference for either polymorph. |
format | Online Article Text |
id | pubmed-8476478 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | Springer Berlin Heidelberg |
record_format | MEDLINE/PubMed |
spelling | pubmed-84764782021-10-08 Crystallisation and polymorph selection in active Brownian particles Moore, Fergus J. Royall, C. Patrick Liverpool, Tanniemola B. Russo, John Eur Phys J E Soft Matter Regular Article - Soft Matter We explore crystallisation and polymorph selection in active Brownian particles with numerical simulation. In agreement with previous work (Wysocki et al. in Europhys Lett 105:48004, 2014), we find that crystallisation is suppressed by activity and occurs at higher densities with increasing Péclet number ([Formula: see text] ). While the nucleation rate decreases with increasing activity, the crystal growth rate increases due to the accelerated dynamics in the melt. As a result of this competition, we observe the transition from a nucleation and growth regime at high [Formula: see text] to “spinodal nucleation” at low [Formula: see text] . Unlike the case of passive hard spheres, where preference for FCC over HCP polymorphs is weak, activity causes the annealing of HCP stacking faults, thus strongly favouring the FCC symmetry at high [Formula: see text] . When freezing occurs more slowly, in the nucleation and growth regime, this tendency is much reduced and we see a trend towards the passive case of little preference for either polymorph. Springer Berlin Heidelberg 2021-09-28 2021 /pmc/articles/PMC8476478/ /pubmed/34580776 http://dx.doi.org/10.1140/epje/s10189-021-00108-8 Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . |
spellingShingle | Regular Article - Soft Matter Moore, Fergus J. Royall, C. Patrick Liverpool, Tanniemola B. Russo, John Crystallisation and polymorph selection in active Brownian particles |
title | Crystallisation and polymorph selection in active Brownian particles |
title_full | Crystallisation and polymorph selection in active Brownian particles |
title_fullStr | Crystallisation and polymorph selection in active Brownian particles |
title_full_unstemmed | Crystallisation and polymorph selection in active Brownian particles |
title_short | Crystallisation and polymorph selection in active Brownian particles |
title_sort | crystallisation and polymorph selection in active brownian particles |
topic | Regular Article - Soft Matter |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8476478/ https://www.ncbi.nlm.nih.gov/pubmed/34580776 http://dx.doi.org/10.1140/epje/s10189-021-00108-8 |
work_keys_str_mv | AT moorefergusj crystallisationandpolymorphselectioninactivebrownianparticles AT royallcpatrick crystallisationandpolymorphselectioninactivebrownianparticles AT liverpooltanniemolab crystallisationandpolymorphselectioninactivebrownianparticles AT russojohn crystallisationandpolymorphselectioninactivebrownianparticles |