Glass formers are characterized by their ability to avoid crystallization. As monodisperse systems tend to rapidly crystallize, the most common glass formers in simulations are systems composed of mixtures of particles with different sizes. Here, we make use of the ability of patchy particles to change their local structure to propose them as monodisperse glass formers. We explore monodisperse systems with two patch geometries: a 12-patch geometry that enhances the formation of icosahedral clusters and an 8-patch geometry that does not appear to strongly favor any particular local structure. We show that both geometries avoid crystallization and present glassy features at low temperatures. However, the 8-patch geometry better preserves the structure of a simple liquid at a wide range of temperatures and packing fractions, making it a good candidate for a monodisperse glass former.

Monodisperse patchy particle glass former / Marín-Aguilar, Susana; Smallenburg, Frank; Sciortino, Francesco; Foffi, Giuseppe. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - (2021). [10.1063/5.0036963]

Monodisperse patchy particle glass former

Francesco Sciortino;
2021

Abstract

Glass formers are characterized by their ability to avoid crystallization. As monodisperse systems tend to rapidly crystallize, the most common glass formers in simulations are systems composed of mixtures of particles with different sizes. Here, we make use of the ability of patchy particles to change their local structure to propose them as monodisperse glass formers. We explore monodisperse systems with two patch geometries: a 12-patch geometry that enhances the formation of icosahedral clusters and an 8-patch geometry that does not appear to strongly favor any particular local structure. We show that both geometries avoid crystallization and present glassy features at low temperatures. However, the 8-patch geometry better preserves the structure of a simple liquid at a wide range of temperatures and packing fractions, making it a good candidate for a monodisperse glass former.
2021
glass transition, patchy particles, molecular dynamics
01 Pubblicazione su rivista::01a Articolo in rivista
Monodisperse patchy particle glass former / Marín-Aguilar, Susana; Smallenburg, Frank; Sciortino, Francesco; Foffi, Giuseppe. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - (2021). [10.1063/5.0036963]
File allegati a questo prodotto
File Dimensione Formato  
Marín-Aguilar_Monodisperse_2021.pdf

solo gestori archivio

Tipologia: Versione editoriale (versione pubblicata con il layout dell'editore)
Licenza: Tutti i diritti riservati (All rights reserved)
Dimensione 1.99 MB
Formato Adobe PDF
1.99 MB Adobe PDF   Contatta l'autore

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1556089
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 4
  • ???jsp.display-item.citation.isi??? 4
social impact