A computer simulation study of beta-spodumene

Morrison, Glenn and Barker, Carolyn M. and Kennedy, K.M. and Chadwick, Alan 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. (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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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: 17 Jun 2014 09:29
Resource URI: https://kar.kent.ac.uk/id/eprint/18202 (The current URI for this page, for reference purposes)
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