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Distribution of Rings and Intermediate Range Correlations in Silica Glass Under Pressure-A Molecular Dynamics Study

Published online by Cambridge University Press:  10 February 2011

José Pedro Rino ,
Gonzalo Gutiérrez ,
Ingvar Ebbsjö ,
Rajiv K. Kalia  and
Priya Vashishta
José Pedro Rino
Affiliation:
Universidade Federal de São Carlos, Via Washington Luiz Km 235-13565-905, São Carlos, S.P. Brazil
Gonzalo Gutiérrez
Affiliation:
Facultad de Física, P. Universidad Católica de Chile, Casilla 306, Santiago 22, Chile
Ingvar Ebbsjö
Affiliation:
The Studsvik Neutron Research Laboratory, S-611 82 Nyköping, Sweden
Rajiv K. Kalia
Affiliation:
Concurrent Computer Laboratory for Materials Simulations Department of Physics & Astronomy and Department of Computer Science Louisiana State University, LA 70803-4001, djpr@power.ufscar.br, Web:, www.cclms.lsu.edu/
Priya Vashishta
Affiliation:
Concurrent Computer Laboratory for Materials Simulations Department of Physics & Astronomy and Department of Computer Science Louisiana State University, LA 70803-4001, djpr@power.ufscar.br, Web:, www.cclms.lsu.edu/
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Abstract

Using the molecular dynamics (MD) method, we have studied the effect of pressure on the distribution of rings and their relationship to intermediate range correlations manifested as the first sharp diffraction peak (FSDP) for Si02 glass. A systematic analysis of the modifications observed in the FSDP for densities ranging from 2.0 to 3.2 g/cm3 and temperatures from 0 to 1500 K is reported. The decrease in the height of the FSDP with increasing density is found to be proportional to the decrease in the number of 6-fold rings. For the density and temperature ranges studied in SiO2 glass, the full width at half maximum (FWHM) of the FSDP remains unchanged.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 408: Symposium P – Materials Theory, Simulations, and Parallel Algorithms , 1995 , 333
Copyright
Copyright © Materials Research Society 1996

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