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• W3121565903 startingPage "152102" @default.
• W3121565903 abstract "In this work we study the high pressure behaviour of liquid and glassy GeO2 by means of molecular dynamics simulations. The interaction potential, which includes dipole polarization effects, was parameterized from first-principles calculations. Our simulations reproduce the most recent experimental data to a high degree of precision. The proportion of the various GeOn polyhedra is determined as a function of the pressure: a smooth transition from tetrahedral to octahedral network is observed. Finally, the study of high-pressure, liquid germania confirms that this material presents an anomalous behaviour of the diffusivity as observed in analog systems such as silica and water. The importance of penta-coordinated germanium ions for such behaviour is stressed." @default.
• W3121565903 created "2021-02-01" @default.
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• W3121565903 date "2010-03-09" @default.
• W3121565903 modified "2023-09-23" @default.
• W3121565903 title "High-pressure behaviour of GeO₂: a simulation study" @default.
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• W3121565903 doi "https://doi.org/10.1088/0953-8984/22/15/152102" @default.
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