Abstract
Structural dynamics and diffusion mechanism in liquid GeO2 (a typical glass-forming liquid) have been studied by molecular dynamics simulation. Models consisting of 1998 atoms have been constructed under a wide pressure range (from 0 to 48 GPa) and at 3,200 K. The structural dynamics has been analyzed through the nearest-neighbor atomic exchange among coordination units, spatially heterogeneous dynamics (SHD), clustering and structural stability (lifetime of basic structural units). Investigation of structural dynamics has allowed us to gain insight into various important atomic (molecular) properties and to clarify the diffusion mechanism and origin of SHD phenomena in glass-forming liquids under high pressure.
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