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

Please use this identifier to cite or link to this item: https://hdl.handle.net/11499/5200

Title:	Investigation of energy and structural changes of Lin ( n=3, 4 ) microclusters based on temperature
Authors:	Kara, I. Kolsuz, Nuri Çakmak, S.
Keywords:	Dissociation Interaction Lithium cluster Computer simulation Molecular dynamics Molecular structure Microclusters Lithium lithium article atom dissociation energy yield molecular dynamics molecular interaction simulation steady state structure analysis temperature dependence
Publisher:	Academic Press Inc.
Abstract:	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.
URI:	https://hdl.handle.net/11499/5200 https://doi.org/10.1016/S0022-4596(03)00392-X
ISSN:	0022-4596
Appears in Collections:	Fen-Edebiyat Fakültesi Koleksiyonu Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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