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dc.contributor.authorLagogianni, A. E.en
dc.contributor.authorAlmyras, G. A.en
dc.contributor.authorLekka, C. E.en
dc.contributor.authorPapageorgiou, D. G.en
dc.contributor.authorEvangelakis, G. A.en
dc.date.accessioned2015-11-24T16:48:01Z-
dc.date.available2015-11-24T16:48:01Z-
dc.identifier.issn0925-8388-
dc.identifier.urihttps://olympias.lib.uoi.gr/jspui/handle/123456789/9269-
dc.rightsDefault Licence-
dc.subjectmetallic glassesen
dc.subjectmolecular dynamics simulationen
dc.subjectclusteren
dc.subjectalloysen
dc.subjectzren
dc.subjectpseudopotentialsen
dc.subjectsystemsen
dc.subjectorderen
dc.subjectmodelen
dc.titleStructural characteristics of Cu(x)Zr(100-x) metallic glasses by Molecular Dynamics Simulationsen
heal.typejournalArticle-
heal.type.enJournal articleen
heal.type.elΆρθρο Περιοδικούel
heal.identifier.primaryDOI 10.1016/j.jallcom.2008.07.211-
heal.identifier.secondary<Go to ISI>://000270619600159-
heal.identifier.secondaryhttp://ac.els-cdn.com/S092583880801966X/1-s2.0-S092583880801966X-main.pdf?_tid=81ec9827b67a503705e4e7c9cfe26f01&acdnat=1333033753_edb982cc13b3535a05527fd2d2c39f13-
heal.languageen-
heal.accesscampus-
heal.recordProviderΠανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείαςel
heal.publicationDate2009-
heal.abstractWe present Molecular Dynamics Simulations results on the micro-structural characteristics of the Cu(x)Zr(100-x) metallic glasses. In all stoichiometries studied, we found that the Cu-centered small icosahedral clusters (ICO) are a basic structured object present in the systems, while their number and their Cu content increases with Cu concentration. In addition, it came out that the solidification process upon cooling correlates with the ICO number evolution. These results are compared with ab-initio calculations within the Density Functional Theory for the clusters found. We anticipate that the present findings could help in understanding the micro-structure and the solidification processes in metallic glasses. (C) 2008 Elsevier B.V. All rights reserved.en
heal.journalNameJournal of Alloys and Compoundsen
heal.journalTypepeer reviewed-
heal.fullTextAvailabilityTRUE-
Appears in Collections:Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά). ΧΗΜ

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