A computer simulation study of lithium diffusion in the 123 and 124 superconductors

Morrison, G. and Alario-Franco, M.A. and Moran, E. and Chadwick, Alan V. (1997) A computer simulation study of lithium diffusion in the 123 and 124 superconductors. In: Matthews, G.E. and Williams, R.T. and Forest, Univ, eds. Materilal Science Forum. Materilal Science Forum, 239-2. Trans Tech Publications Ltd pp. 403-406. ISBN 0-87849-756-0. (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

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Atomistic computer modelling has been applied to the structure of the YBCO family of superconductors, and the diffusion profiles of Li+ ions through the barium channels. The calculated structures agree well with the experimental data for both the 123 and 124 structures. However a slight modification to the 124 structure is suggested which we believe is consistent with experimental evidence. The calculated activation energy for Li+ diffusion approximate to 0.8eV in the 124 agrees well with experimental measurements. An hypothesis is suggested for the difficulty encountered in synthesising the 125 structure.

Item Type: Conference or workshop item (Paper)
Additional information: Conference Information: 13th International Conference on Defects in Insulating Materials (ICDIM 96) Wake Forest Univ, Winston Salem, NC, Jul 15-19, 1996 AMP Inc; Hughes Res Labs; Int Sci Fdn; Natl Sci Fdn; Newport; Wake Forest Univ
Uncontrolled keywords: YBCO; computer modelling; lithium; diffusion
Subjects: Q Science
Q Science > QD Chemistry
Divisions: Faculties > Science Technology and Medical Studies > School of Physical Sciences
Depositing User: M.A. Ziai
Date Deposited: 22 Sep 2009 12:14
Last Modified: 13 Jun 2014 09:17
Resource URI: https://kar.kent.ac.uk/id/eprint/18201 (The current URI for this page, for reference purposes)
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