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Molecular dynamics of liquid SiO2 under high pressureThe molecular dynamics of pure SiO2 liquids was investigated up to pressures of 20 GPa at 4000 K using 252, 498, 864, and 1371 particles. The results obtained suggest that the pressure-induced maxima in the self-diffusion coefficients of both oxygen and silicon are dependent on the system size. In the case of larger systems, the maximum decreases and shifts to lower pressures. Changes in the velocity autocorrelation function with increasing pressure are described. The populations of anomalously coordinated silicon and oxygen are then discussed as a function of pressure and system size.
Document ID
19900060177
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Rustad, James R.
(Minnesota Univ. Minneapolis, MN, United States)
Yuen, David A.
(Minnesota, University Minneapolis, United States)
Spera, Frank J.
(California, University Santa Barbara, United States)
Date Acquired
August 14, 2013
Publication Date
August 15, 1990
Publication Information
Publication: Physical Review A
Volume: 42
ISSN: 1050-2947
Subject Category
Thermodynamics And Statistical Physics
Accession Number
90A47232
Funding Number(s)
CONTRACT_GRANT: NSF EAR-86-08479
CONTRACT_GRANT: NSF EAR-88-17200
Distribution Limits
Public
Copyright
Other

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