Influence of the Random Arrangement of Molecules on Energy of Vacancies Migration

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Calculation of energy of migration for number of molecular crystals consisting of centrosymmetrical and non-centrosymmetrical molecules was carried out by using a method of atom-atom potentials. It is shown, that the potential barrier is symmetrical for crystals consisting of centrosymmetrical molecules, but not symmetrical for the mixed crystals and crystals consisting of non-centrosymmetrical molecules. Thus it is possible to influence quantity of migration energy, growing the mixed crystals with a particular arrangement of components.
4 pages, 4 figures

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Disordered Systems and Neural Networks

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http://salesiana.dossiersoluciones.com/handle/123456789/20367

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/0211540
 http://arxiv.org/abs/cond-mat/0211540

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arXiv