Investigation of Li-n, O-Li-n and H-Li-n interactions by molecular dynamics simulation methods
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, cilt.61, sa.5, ss.689-694, 2000 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 61 Sayı: 5
- Basım Tarihi: 2000
- Doi Numarası: 10.1016/s0022-3697(99)00311-x
- Dergi Adı: JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.689-694
- Süleyman Demirel Üniversitesi Adresli: Hayır
Özet
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.