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High pressure behaviour of liquid GeO2: a molecular dynamics study

2004/09/21 by K. V. Shanavas, Shanavas, K. V., Nandini Garg +3
Earth and Planetary Sciences · Materials Science · Physics and Astronomy · #FOS: Physical sciences #Glass properties and applications #High-pressure geophysics and materials #Material Dynamics and Properties #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci

paper · pdf · doi:10.48550/arxiv.cond-mat/0409539

This paper has been withdrawn by the authors. Updated version published

openalex publication_date 2004/09/21 · arxiv created 2010/10/16 · arxiv updated 2010/10/19 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

High pressure behaviour of liquid GeO2 is investigated by means of molecular dynamics simulations in the pressure range 0-20 GPa and at various temperatures. In agreement with the recent experiments (PRL, 92, 155506, 2004), Ge-O coordination increases under compression. For 1650 K, at ~11.5 GPa the structure becomes 6 coordinated with a discontinuous change in the density. The transition from the low density liquid (LDL) to high density liquid (HDL) is found to be reversible and the transition pressure increases with the temperature. At lower temperatures, the low density to high density transition is found to be continuous, but with the coexistence of two structures.

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