Formation and structure of V-Zr amorphous alloy thin films

Handle URI:
http://hdl.handle.net/10754/563977
Title:
Formation and structure of V-Zr amorphous alloy thin films
Authors:
King, Daniel J M; Middleburgh, Simon C.; Liu, A. C Y; Tahini, Hassan Ali ( 0000-0001-5454-0983 ) ; Lumpkin, Gregory R.; Cortie, Michael B.
Abstract:
Although the equilibrium phase diagram predicts that alloys in the central part of the V-Zr system should consist of V2Zr Laves phase with partial segregation of one element, it is known that under non-equilibrium conditions these materials can form amorphous structures. Here we examine the structures and stabilities of thin film V-Zr alloys deposited at room temperature by magnetron sputtering. The films were characterized by X-ray diffraction, transmission electron microscopy and computational methods. Atomic-scale modelling was used to investigate the enthalpies of formation of the various competing structures. The calculations confirmed that an amorphous solid solution would be significantly more stable than a random body-centred solid solution of the elements, in agreement with the experimental results. In addition, the modelling effort provided insight into the probable atomic configurations of the amorphous structures allowing predictions of the average distance to the first and second nearest neighbours in the system.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program
Publisher:
Elsevier BV
Journal:
Acta Materialia
Issue Date:
Jan-2015
DOI:
10.1016/j.actamat.2014.10.016
Type:
Article
ISSN:
13596454
Sponsors:
This work was supported by the Multi-modal Australian ScienceS Imaging and Visualisation Environment (MASSIVE) (www.massive.org.au). We would like to thank Joanne Etheridge, Geoff McCredie, Robert Aughterson and Lyndon Edwards for their help and support. A.C.Y.L. would like to acknowledge the support of the Science Faculty, Monash University and the assistance of Matthew Weyland of the MCEM. The electron microscopy was conducted in part at the Monash Centre for Electron Microscopy. The FEI Titan<SUP>3</SUP> 80-300 FEGTEM was funded by the Australian Research Council (Contract No. LE0454166). A.C.Y.L., D.J.K., S.C.M. and G.R.L. would like to acknowledge support from the ANSTO-Monash collaborative fund. S.C.M. would like to thank Lars Hallstadius of Westinghouse Electric Sweden for his conversations on the subject.
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program

Full metadata record

DC FieldValue Language
dc.contributor.authorKing, Daniel J Men
dc.contributor.authorMiddleburgh, Simon C.en
dc.contributor.authorLiu, A. C Yen
dc.contributor.authorTahini, Hassan Alien
dc.contributor.authorLumpkin, Gregory R.en
dc.contributor.authorCortie, Michael B.en
dc.date.accessioned2015-08-03T12:21:37Zen
dc.date.available2015-08-03T12:21:37Zen
dc.date.issued2015-01en
dc.identifier.issn13596454en
dc.identifier.doi10.1016/j.actamat.2014.10.016en
dc.identifier.urihttp://hdl.handle.net/10754/563977en
dc.description.abstractAlthough the equilibrium phase diagram predicts that alloys in the central part of the V-Zr system should consist of V2Zr Laves phase with partial segregation of one element, it is known that under non-equilibrium conditions these materials can form amorphous structures. Here we examine the structures and stabilities of thin film V-Zr alloys deposited at room temperature by magnetron sputtering. The films were characterized by X-ray diffraction, transmission electron microscopy and computational methods. Atomic-scale modelling was used to investigate the enthalpies of formation of the various competing structures. The calculations confirmed that an amorphous solid solution would be significantly more stable than a random body-centred solid solution of the elements, in agreement with the experimental results. In addition, the modelling effort provided insight into the probable atomic configurations of the amorphous structures allowing predictions of the average distance to the first and second nearest neighbours in the system.en
dc.description.sponsorshipThis work was supported by the Multi-modal Australian ScienceS Imaging and Visualisation Environment (MASSIVE) (www.massive.org.au). We would like to thank Joanne Etheridge, Geoff McCredie, Robert Aughterson and Lyndon Edwards for their help and support. A.C.Y.L. would like to acknowledge the support of the Science Faculty, Monash University and the assistance of Matthew Weyland of the MCEM. The electron microscopy was conducted in part at the Monash Centre for Electron Microscopy. The FEI Titan<SUP>3</SUP> 80-300 FEGTEM was funded by the Australian Research Council (Contract No. LE0454166). A.C.Y.L., D.J.K., S.C.M. and G.R.L. would like to acknowledge support from the ANSTO-Monash collaborative fund. S.C.M. would like to thank Lars Hallstadius of Westinghouse Electric Sweden for his conversations on the subject.en
dc.publisherElsevier BVen
dc.subjectAmorphous alloyen
dc.subjectDensity functional theoryen
dc.subjectThin filmsen
dc.subjectX-ray diffractionen
dc.subjectZirconium alloysen
dc.titleFormation and structure of V-Zr amorphous alloy thin filmsen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.identifier.journalActa Materialiaen
dc.contributor.institutionIME, Australian Nuclear Science and Technology OrganisationLucas-Heights, NSW, Australiaen
dc.contributor.institutionInstitute for Nanoscale Technology, University of TechnologySydney, NSW, Australiaen
dc.contributor.institutionCentre for Electron Microscopy, Monash UniversityMelbourne, VIC, Australiaen
kaust.authorTahini, Hassan Alien
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