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

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dc.contributor.author Kara, I.
dc.contributor.author Kolsuz, Nuri
dc.contributor.author Çakmak, S.
dc.date.accessioned 2019-08-16T11:42:54Z
dc.date.available 2019-08-16T11:42:54Z
dc.date.issued 2003
dc.identifier.issn 0022-4596
dc.identifier.uri https://hdl.handle.net/11499/5200
dc.identifier.uri https://doi.org/10.1016/S0022-4596(03)00392-X
dc.description.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. en_US
dc.language.iso en en_US
dc.publisher Academic Press Inc. en_US
dc.relation.ispartof Journal of Solid State Chemistry en_US
dc.rights info:eu-repo/semantics/closedAccess en_US
dc.subject Dissociation en_US
dc.subject Interaction en_US
dc.subject Lithium cluster en_US
dc.subject Computer simulation en_US
dc.subject Molecular dynamics en_US
dc.subject Molecular structure en_US
dc.subject Microclusters en_US
dc.subject Lithium en_US
dc.subject lithium en_US
dc.subject article en_US
dc.subject atom en_US
dc.subject dissociation en_US
dc.subject energy yield en_US
dc.subject molecular dynamics en_US
dc.subject molecular interaction en_US
dc.subject simulation en_US
dc.subject steady state en_US
dc.subject structure analysis en_US
dc.subject temperature dependence en_US
dc.title Investigation of energy and structural changes of Lin ( n=3, 4 ) microclusters based on temperature en_US
dc.type Article en_US
dc.identifier.volume 176 en_US
dc.identifier.issue 1 en_US
dc.identifier.startpage 203
dc.identifier.startpage 203 en_US
dc.identifier.endpage 205 en_US
dc.identifier.doi 10.1016/S0022-4596(03)00392-X
dc.relation.publicationcategory Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı en_US
dc.identifier.scopus 2-s2.0-0242408194 en_US
dc.identifier.wos WOS:000186711300028 en_US

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