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

Authors

  • Nguyen Van Hong Hanoi University of Science and Technology
  • Mai Thi Lan
  • Nguyen Thu Nhan

DOI:

https://doi.org/10.15625/0868-3166/24/3S1/5235

Keywords:

MD simulation, GeO

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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Author Biography

Nguyen Van Hong, Hanoi University of Science and Technology

Nguyen Van Hong, Department of Computational Physics, School of Engineering Physics, Hanoi Univeristy of Science and Technology

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Published

10-11-2014

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

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Section

Papers

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