Investigation of Li-n, O-Li-n and H-Li-n interactions by molecular dynamics simulation methods

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Kara I., Kolsuz N.

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, vol.61, no.5, pp.689-694, 2000 (Journal Indexed in SCI)

• Publication Type: Article / Article
• Volume: 61 Issue: 5
• Publication Date: 2000
• Doi Number: 10.1016/s0022-3697(99)00311-x
• Title of Journal : JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
• Page Numbers: pp.689-694

Abstract

We have investigated the structures and energies of lithium microclusters containing 3-10 atoms in the bcc(100) and bcc(110) surface symmetries, and the interaction of an oxygen atom and a hydrogen atom with these lithium microclusters for the on-top, open and bridge sites. Calculations have been performed with Molecular Dynamics Simulation Methods (MDSM) at 1 K temperature. (C) 2000 Elsevier Science Ltd. All rights reserved.