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

Kara I., Kolsuz N.

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, cilt.61, sa.5, ss.689-694, 2000 (SCI İndekslerine Giren Dergi) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 61 Konu: 5
  • Basım Tarihi: 2000
  • Doi Numarası: 10.1016/s0022-3697(99)00311-x
  • Dergi Adı: JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
  • Sayfa Sayıları: ss.689-694

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.