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Structural and Dynamical Correlations in Stishovite and High Density Silica Glass

Published online by Cambridge University Press:  25 February 2011

Wei Jin ,
Rajiv K. Kalia  and
Priya Vashishta
Wei Jin
Affiliation:
Concurrent Computing Laboratory for Materials Simulations Department of Physics & Astronomy and Department ofComputer Science Louisiana State University, Baton Rouge, Louisiana 70803-4001
Rajiv K. Kalia
Affiliation:
Concurrent Computing Laboratory for Materials Simulations Department of Physics & Astronomy and Department ofComputer Science Louisiana State University, Baton Rouge, Louisiana 70803-4001
Priya Vashishta
Affiliation:
Concurrent Computing Laboratory for Materials Simulations Department of Physics & Astronomy and Department ofComputer Science Louisiana State University, Baton Rouge, Louisiana 70803-4001
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Abstract

Pressure-induced structural transformation from tetrahedral to octahedral coordination and the destruction of intermediate-range order (IRO) are studied in silica glass (a-SiO 2) using the molecular-dynamics (MD) method. Changes in the position and height of the first sharp diffraction peak (FSDP) in the static structure factor, bond lengths, coordination numbers, bond-angle distributions, and statistics of rings are investigated as a function of density. Modifications of the vibrational density of states and participation ratio are also discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 293: Symposium U – Solid State Ionics III , 1992 , 247
Copyright
Copyright © Materials Research Society 1993

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