Morrison, G. and Barker, C.M. and Kennedy, K.M. and Chadwick, A.V. (1996) A computer simulation study of beta-spodumene. 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. 417-420. ISBN 0-87849-756-0.
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Abstract
Atomistic computer modelling has been applied to the strucure of beta-Spodumene(LiAlSi2O6). A general Li - O potential has been derived for use with this and other lithium aluminium silicates. The results are reported here. Defect calculations have been used to study the Li+ ion migration through this 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: | spodumene; LiAlSi2O6; ion migration; computer modelling |
| 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: | 29 Jun 2011 08:46 |
| Last Modified: | 29 Jun 2011 08:46 |
| Resource URI: | http://kar.kent.ac.uk/id/eprint/18202 (The current URI for this page, for reference purposes) |
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