Investigation of energy and structural changes of Lin ( n=3, 4 ) microclusters based on temperature

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 1300K for Li3 and 1350K for Li4, respectively. Dissociations at the fixed temperatures are very close to the expected values of the lithium metal. Additionally, it has been observed that Li4 microclusters above 1000K and Li3 clusters above 700K temperatures have steady structures in two different energy values. © 2003 Elsevier Inc. All rights reserved