Work

Reproduction of Pressure-Induced Structural Transformation of α-Quartz-Type GeO2 by Molecular Dynamics Simulation

Year: 1996

Type: article

Abstract: A molecular dynamic (MD) simulation with a new potential model has been performed to investigate the structural change of germanium dioxide under high pressure. A phase transition of α-quartz-type GeO2 crystal was found over 6.0GPa at 300K. This transformation involves an abrupt volume shrinkage according to the increase of the coordination number of germanium. It is shown that the MD simulation results are in good agreement with the experiment.

Source: Journal of the Ceramic Society of Japan

DOI: 10.2109/jcersj.104.1097

Authors: Dae-Weon KIM, Katsuyuki KAWAMURA, Naoya ENOMOTO, Zenbe-e NAKAGAWA

Institution: Tokyo Institute of Technology

Language: English

Topic: High-pressure geophysics and materials

Subfield: Geophysics

Field: Earth and Planetary Sciences

Domain: Physical Sciences

Open Access status: diamond

OpenAlex ID: W2334137239

FWCI:

Cites: 2

Cited by: 4

Related to: 10