6533b836fe1ef96bd12a1607
RESEARCH PRODUCT
Devitrification of the Kob-Andersen glass former: Competition with the locally favored structure
Thomas SpeckFrancesco TurciC P Royallsubject
HistoryMaterials scienceStatistical Mechanics (cond-mat.stat-mech)media_common.quotation_subjectThermodynamicsFOS: Physical sciences02 engineering and technology021001 nanoscience & nanotechnology01 natural sciencesLocal structureCondensed Matter::Disordered Systems and Neural NetworksCompetition (biology)Computer Science ApplicationsEducationCondensed Matter::Soft Condensed MatterDevitrification0103 physical sciences010306 general physics0210 nano-technologyCondensed Matter - Statistical Mechanicsmedia_commondescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2018-08-06 |