Vol. 24 No. 3S1 (2014)
Papers

Polyamorphism and Two State Model in Liquid GeO\(_{2}\) under Compression: Insight from Visualization of Molecular Dynamics Data

Nguyen Van Hong
Hanoi University of Science and Technology
Bio

Published 10-11-2014

Keywords

  • MD simulation,
  • GeO

How to Cite

Hong, N. V., Lan, M. T., & Nhan, N. T. (2014). Polyamorphism and Two State Model in Liquid GeO\(_{2}\) under Compression: Insight from Visualization of Molecular Dynamics Data. Communications in Physics, 24(3S1), 95–98. https://doi.org/10.15625/0868-3166/24/3S1/5235

Abstract

The polyamorphism and two-state model based on the coordination number distribution in liquid GeO\(_{2}\) at 3200~K and in a wide pressure range are investigated by molecular dynamics simulation. Results show that the structure of liquid GeO\(_{2}\) mainly consists of GeO\(_{x}\) coordination units \((x=4,5,6)\) and OGe\(_{y}\) linkages \((y=2, 3)\). The distribution of OGe\(_{y}\) linkages in network structure is not uniform but tends to form clusters of OGe\(_{y}\). The cluster of OGe\(_{2}\) will form low-density phase region, conversely the cluster of OGe\(_{3}\) will form high-density phase region. In other word, under compression, in the liquid GeO\(_{2}\) coexist two states: low-density and high-density. The size of phase regions significantly depends on compression.

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