Devitrification of the Kob-Andersen glass former: Competition with the locally favored structure

Publikationstyp:
Zeitschriftenaufsatz
Metadaten:
Autoren
  • Francesco Turci
  • C Patrick Royall
  • Thomas Speck
Autoren-URL
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=fis-test-1&SrcAuth=WosAPI&KeyUT=WOS:000552227600012&DestLinkType=FullRecord&DestApp=WOS_CPL
DOI
10.1088/1742-6596/1252/1/012012
eISSN
1742-6596
Externe Identifier
  • Clarivate Analytics Document Solution ID: BP4GB
ISSN
1742-6588
Zeitschrift
RECENT DEVELOPMENTS IN COMPUTER SIMULATION STUDIES IN CONDENSED MATTER PHYSICS
Artikelnummer
ARTN 012012
Datum der Veröffentlichung
2019
Status
Published
Titel
Devitrification of the Kob-Andersen glass former: Competition with the locally favored structure
Sub types
  • Proceedings Paper
Ausgabe der Zeitschrift
1252

Datenquelle: Web of Science (Lite)

Andere Metadatenquellen:
Abstract
<jats:title>Abstract</jats:title> <jats:p>Supercooled liquids are kinetically trapped materials in which the transition to a thermodynamically more stable state with long-range order is strongly suppressed. To assess the glass-forming abilities of a liquid empirical rules exist, but a comprehensive microscopic picture of devitrification is still missing. Here we study the crystallization of a popular model glass former, the binary Kob-Andersen mixture, in small systems. We perform trajectory sampling employing the population of the locally favored structure as order parameter. While for large population a dynamical phase transition has been reported, here we show that biasing towards a small population of locally favored structures induces crystallization, and we estimate the free energy difference. This result sheds new light on the competition between local and global structure in glass-forming liquids and its implications for crystallization.</jats:p>
Autoren
  • Francesco Turci
  • C Patrick Royall
  • Thomas Speck
DOI
10.1088/1742-6596/1252/1/012012
eISSN
1742-6596
ISSN
1742-6588
Ausgabe der Veröffentlichung
1
Zeitschrift
Journal of Physics: Conference Series
Paginierung
012012 - 012012
Datum der Veröffentlichung
2019
Status
Published
Herausgeber
IOP Publishing
Herausgeber URL
http://dx.doi.org/10.1088/1742-6596/1252/1/012012
Datum der Datenerfassung
2021
Titel
Devitrification of the Kob-Andersen glass former: Competition with the locally favored structure
Ausgabe der Zeitschrift
1252

Datenquelle: Crossref

Abstract
Supercooled liquids are kinetically trapped materials in which the transition to a thermodynamically more stable state with long-range order is strongly suppressed. To assess the glass-forming abilities of a liquid empirical rules exist, but a comprehensive microscopic picture of devitrification is still missing. Here we study the crystallization of a popular model glass former, the binary Kob-Andersen mixture, in small systems. We perform trajectory sampling employing the population of the locally favored structure as order parameter. While for large population a dynamical phase transition has been reported, here we show that biasing towards a small population of locally favored structures induces crystallization, and we estimate the free energy difference. This result sheds new light on the competition between local and global structure in glass-forming liquids and its implications for crystallization.
Autoren
  • Francesco Turci
  • C Patrick Royall
  • Thomas Speck
Autoren-URL
http://arxiv.org/abs/1808.01791v1
Zeitschrift
J. Phys.: Conf. Ser.
Schlüsselwörter
  • cond-mat.stat-mech
  • cond-mat.stat-mech
Paginierung
012012
Datum der Veröffentlichung
2018
Herausgeber URL
http://dx.doi.org/10.1088/1742-6596/1252/1/012012
Datum der Datenerfassung
2018
Datum, an dem der Datensatz öffentlich gemacht wurde
2018
Titel
Devitrification of the Kob-Andersen glass former: Competition with the locally favored structure
Ausgabe der Zeitschrift
1252

Files

1808.01791v1.pdf

Datenquelle: arXiv

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