Investigation of energy and structural changes of Li-n (n=3, 4) microclusters based on temperature
JOURNAL OF SOLID STATE CHEMISTRY, cilt.176, sa.1, ss.203-205, 2003 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 176 Sayı: 1
- Basım Tarihi: 2003
- Doi Numarası: 10.1016/s0022-4596(03)00392-x
- Dergi Adı: JOURNAL OF SOLID STATE CHEMISTRY
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.203-205
- Süleyman Demirel Üniversitesi Adresli: Evet
Özet
The energy and structural changes of lithium microclusters based on temperature has been investigated by using Molecular-Dynamic simulation Method. Two and three-body interacted semi-empiric potential energy formula that characterized the interaction has been used. It has been calculated that the dissociation of atoms from cluster has started after 1300 K for Li-3 and 1350 K for Li-4, respectively. Dissociations at the fixed temperatures are very close to the expected values of the lithium metal. Additionally, it has been observed that Li-4 microclusters above 1000 K and Li-3 clusters above 700 K temperatures have steady structures in two different energy values. (C) 2003 Elsevier Inc. All rights reserved.