期刊
SOLID STATE COMMUNICATIONS
卷 150, 期 41-42, 页码 1971-1975出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ssc.2010.08.026
关键词
Disordered systems; Phase transitions; Thermodynamic properties
资金
- NAFOSTED [103.02.12.09]
- Ministry of Education of Japan
Atomic mechanism of glass formation in supercooled monatomic liquids is monitored via analyzing the spatial arrangement of solid-like atoms. The supercooled states are obtained by cooling from the melt using molecular dynamics (MD) simulation. Solid-like atoms, detected via Lindemann-like freezing criterion, are found throughout the liquid. Their number increases with decreasing temperature and they form clusters. In the deeply supercooled region, all solid-like atoms form a single percolation cluster which spans throughout the system. The number of atoms in this cluster increases steeply with further cooling. Glass formation in supercooled liquids occurs when a single percolation cluster of solid-like atoms involves the majority of atoms in the system to form a relatively rigid glassy solid. By analyzing the temperature dependence of static and dynamic properties, we identify three characteristic temperatures of glass formation in supercooled liquids including the Vogel-Fulcher temperature. (c) 2010 Elsevier Ltd. All rights reserved.
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