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Comparison of the structure of harmonic aqueous glasses and liquid waterGlassy structures of water were generated by rapidly quenching configurations of 64 and 343 molecules of liquid water; and the potential energy was then expanded through quadratic order around local minima generated in this way, and the properties of the resulting harmonic system were calculated. The results obtained were used to test the degree to which the structure of liquid water is similar to that of a harmonic aqueous glass. The radial distribution functions for the glass were found to be remarkably similar to those of the liquid. Translational modes were found to be almost entirely responsible for the broadening of the oxygen-oxygen radial distribution function of the quenched configuration, and also primarily responsible for the broadening of other radial distribution functions.
Document ID
19880031698
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Pohorille, Andrew
(California Univ. Berkeley, CA, United States)
Wilson, Michael A.
(California, University Berkeley, United States)
Pratt, Lawrence R.
(Los Alamos National Laboratory NM, United States)
Laviolette, Randall A.
(Rockwell International Science Center Anaheim, CA, United States)
Macelroy, Robert D.
(NASA Ames Research Center Moffett Field, CA, United States)
Date Acquired
August 13, 2013
Publication Date
November 15, 1987
Publication Information
Publication: Journal of Chemical Physics
Volume: 87
ISSN: 0021-9606
Subject Category
Inorganic And Physical Chemistry
Accession Number
88A18925
Funding Number(s)
CONTRACT_GRANT: NCA2-108
Distribution Limits
Public
Copyright
Other

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