Atomic mechanism of glass formation in supercooled monatomic liquids

作者：Van Hoang Vo^*; Odagaki T

来源：Solid State Communications, 2010, 150(41-42): 1971-1975.

DOI：10.1016/j.ssc.2010.08.026

• Disordered systems
• Phase transitions
• Thermodynamic properties

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.

• 出版日期2010-11