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Density-functional calculations of the surface tension of liquid Al and NaCalculations of the surface tensions of liquid Al and Na are described using the full ionic density functional formalism of Wood and Stroud (1983). Surface tensions are in good agreement with experiment in both cases, with results substantially better for Al than those found previously in the gradient approximation. Preliminary minimization with respect to surface profile leads to an oscillatory profile superimposed on a nearly steplike ionic density disribution; the oscillations have a wavellength of about a hardsphere diameter.
Document ID
19860055933
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Stroud, D.
(Ohio State Univ. Columbus, OH, United States)
Grimson, M. J.
(Ohio State University Columbus, United States)
Date Acquired
August 12, 2013
Publication Date
January 1, 1984
Publication Information
Publication: Journal of Non-Crystalline Solids
Volume: 68
ISSN: 0022-3093
Subject Category
Inorganic And Physical Chemistry
Accession Number
86A40671
Funding Number(s)
CONTRACT_GRANT: NASW-3601
Distribution Limits
Public
Copyright
Other

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