Polyamorphism and origin of spatially heterogeneous dynamics in network-forming liquids under compression: Insight from visualization of molecular dynamics data

Polyamorphism and origin of spatially heterogeneous dynamics in network-forming liquids under compression: Insight from visualization of molecular dynamics data

Polyamorphism and dynamical heterogeneities in network-forming liquids (SiO2, GeO2, Al2O3) at 3200 K and in a wide pressure range are investigated by molecular dynamics simulation. Results show that their structure comprises three structural phases: TO4-, TO5-, and TO6-phases (T = Si, Ge, or Al). Th...

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Veröffentlicht in:Applied physics letters 2013-05, Vol.102 (19)
Hauptverfasser: Hong, N. V., Lan, M. T., Nhan, N. T., Hung, P. K.
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Lan, M. T.
Nhan, N. T.
Hung, P. K.
description Polyamorphism and dynamical heterogeneities in network-forming liquids (SiO2, GeO2, Al2O3) at 3200 K and in a wide pressure range are investigated by molecular dynamics simulation. Results show that their structure comprises three structural phases: TO4-, TO5-, and TO6-phases (T = Si, Ge, or Al). The size of structural phase regions significantly depends on compression. Besides, the mobility of atoms in different structural phases is different. For SiO2 and GeO2 systems, the TO5-phase forms mobile regions. For Al2O3 system, AlO6-phase forms mobile regions. The coexistence of TOx-phases (x = 4, 5, 6) in the network-forming liquids is origin of the spatially dynamical heterogeneity.
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title Polyamorphism and origin of spatially heterogeneous dynamics in network-forming liquids under compression: Insight from visualization of molecular dynamics data
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