TITLE

Instantaneous normal mode prediction for cation and anion diffusion in ionic melts

AUTHOR(S)
Ribeiro, M.C.C.; Madden, P.A.
PUB. DATE
May 1997
SOURCE
Journal of Chemical Physics;5/22/1997, Vol. 106 Issue 20, p8616
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Focuses on instantaneous normal mode (INM) analysis undertaken for several ionic melts. Sodium chloride at six distinct thermodynamic states; Ratio between the diffusion constants for cations and anions; Prediction from the average frequency of the real and imaginary frequency modes of the projection of the total density of states on cations and anions.
ACCESSION #
4222423

 

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