Formation and structure of V-Zr amorphous alloy thin films

DJM King, SC Middleburgh, ACY Liu, HA Tahini, GR Lumpkin, MB Cortie

Research output: Contribution to journalArticleResearchpeer-review

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.
Original languageEnglish
Pages (from-to)269-275
Number of pages7
JournalActa Materialia
Volume83
DOIs
Publication statusPublished - 2015

Keywords

  • Amorphous alloy
  • Density functional theory
  • Thin films
  • X-ray diffraction
  • Zirconium alloys

Cite this

King, DJM., Middleburgh, SC., Liu, ACY., Tahini, HA., Lumpkin, GR., & Cortie, MB. (2015). Formation and structure of V-Zr amorphous alloy thin films. Acta Materialia, 83, 269-275. https://doi.org/10.1016/j.actamat.2014.10.016
King, DJM ; Middleburgh, SC ; Liu, ACY ; Tahini, HA ; Lumpkin, GR ; Cortie, MB. / Formation and structure of V-Zr amorphous alloy thin films. In: Acta Materialia. 2015 ; Vol. 83. pp. 269-275.
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King, DJM, Middleburgh, SC, Liu, ACY, Tahini, HA, Lumpkin, GR & Cortie, MB 2015, 'Formation and structure of V-Zr amorphous alloy thin films', Acta Materialia, vol. 83, pp. 269-275. https://doi.org/10.1016/j.actamat.2014.10.016

Formation and structure of V-Zr amorphous alloy thin films. / King, DJM; Middleburgh, SC; Liu, ACY; Tahini, HA; Lumpkin, GR; Cortie, MB.

In: Acta Materialia, Vol. 83, 2015, p. 269-275.

Research output: Contribution to journalArticleResearchpeer-review

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AU - King, DJM

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AU - Liu, ACY

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AB - 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.

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KW - Density functional theory

KW - Thin films

KW - X-ray diffraction

KW - Zirconium alloys

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