Logo del repository
  1. Home
 
Opzioni

Local order and crystallization of dense polydisperse hard spheres

Coslovich D
•
Ozawa M
•
Berthier L
2018
  • journal article

Periodico
JOURNAL OF PHYSICS. CONDENSED MATTER
Abstract
Computer simulations give precious insight into the microscopic behavior of supercooled liquids and glasses, but their typical time scales are orders of magnitude shorter than the experimentally relevant ones. We recently closed this gap for a class of models of size polydisperse fluids, which we successfully equilibrate beyond laboratory time scales by means of the swap Monte Carlo algorithm. In this contribution, we study the interplay between compositional and geometric local orders in a model of polydisperse hard spheres equilibrated with this algorithm. Local compositional order has a weak state dependence, while local geometric order associated to icosahedral arrangements grows more markedly but only at very high density. We quantify the correlation lengths and the degree of sphericity associated to icosahedral structures and compare these results to those for the Wahnstrom Lennard-Jones mixture. Finally, we analyze the structure of very dense samples that partially crystallized following a pattern incompatible with conventional fractionation scenarios. The crystal structure has the symmetry of aluminum diboride and involves a subset of small and large particles with size ratio approximately equal to 0.5.
DOI
10.1088/1361-648X/aab0c9
WOS
WOS:000427389700004
Archivio
http://hdl.handle.net/11368/2969264
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85044044012
https://iopscience.iop.org/article/10.1088/1361-648X/aab0c9
Diritti
closed access
license:digital rights management non definito
license:copyright editore
FVG url
https://arts.units.it/request-item?handle=11368/2969264
Soggetti
  • glass transition

  • supercooled liquid

  • computer simulation

  • liquid structure

Web of Science© citazioni
18
Data di acquisizione
Mar 25, 2024
google-scholar
Get Involved!
  • Source Code
  • Documentation
  • Slack Channel
Make it your own

DSpace-CRIS can be extensively configured to meet your needs. Decide which information need to be collected and available with fine-grained security. Start updating the theme to match your nstitution's web identity.

Need professional help?

The original creators of DSpace-CRIS at 4Science can take your project to the next level, get in touch!

Realizzato con Software DSpace-CRIS - Estensione mantenuta e ottimizzata da 4Science

  • Impostazioni dei cookie
  • Informativa sulla privacy
  • Accordo con l'utente finale
  • Invia il tuo Feedback