Investigation of Lin, O–Lin and H–Lin interactions by molecular dynamics simulation methods
| Autor: | Nuri Kolsuz, Izz. E. T. Kara |
|---|---|
| Rok vydání: | 2000 |
| Předmět: |
Many-body theory
chemistry.chemical_element Crystal atomic structure Electronic structure Molecular dynamics Lithium Crystal symmetry Physics::Atomic and Molecular Clusters General Materials Science Physics::Atomic Physics Condensed Matter::Quantum Gases Mathematical models Chemistry General Chemistry Interaction energy Hydrogen atom Computer simulation Body centered cubic (BCC) structure Condensed Matter Physics Oxygen atom Chemical physics Physical chemistry Crystal orientation |
| Zdroj: | Journal of Physics and Chemistry of Solids. 61:689-694 |
| ISSN: | 0022-3697 |
| DOI: | 10.1016/s0022-3697(99)00311-x |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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