Structure of GeO2 Glass under Compression Using Molecular Dynamics Simulation
Keyword(s):
The Core
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We have investigated the behavior of GeO2 at the temperature of 300 K and the pressure from 0 to 100GPa by using the molecular dynamics simulation (the model with 5499 atoms). The results show that the Ge-Ge, Ge-O bond distance increase but O-O bond distance decreases when increasing the pressure. We find that the peak splitting of Ge-Ge at high pressure corresponds with the Ge-O-Ge and O-Ge-O bond angles. We also find that O-Ge-O bond angle decreases, and Ge-O-Ge bond angle increases with pressure. The core-sharing-bond is major at ambient pressure, but fractions of edge and face-sharing-bonds increase with pressure.
2020 ◽
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pp. 141-146
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1995 ◽
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pp. 10876-10884
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