Atomic structure and formation of CuZrAl bulk metallic glasses and composites

I. Kaban, P. Jóvári, B. Escher, D. T. Tran, G. Svensson, M. A. Webb, T. Z. Regier, V. Kokotin, B. Beuneu, T. Gemming, J. Eckert

Research output: Contribution to journalArticle

16 Citations (Scopus)

Abstract

Cu47.5Zr47.5Al5 metallic glass is studied experimentally by high-energy X-ray diffraction, neutron diffraction with isotopic substitution, electron diffraction and X-ray absorption spectroscopy. The atomic structure of the glass is modeled by reverse Monte-Carlo and molecular dynamics simulations. RMC modeling of seven experimental datasets enabled reliable separation of all partial pair distribution functions for Cu47.5Zr47.5Al5 metallic glass. A peculiar structural feature of the ternary alloy is formation of the strong Al-Zr bonds, which are supposed to determine its high viscosity and enhanced bulk glass formation. Analysis of the local atomic order in Cu47.5Zr47.5Al5 glass and Cu10Zr7, CuZr2 and CuZr B2 crystalline structures elucidates their similarities and differences explaining the phase formation sequence by devitrification of the glass.

Original languageEnglish
Article number12388
Pages (from-to)369-376
Number of pages8
JournalActa Materialia
Volume100
DOIs
Publication statusPublished - Nov 1 2015

Fingerprint

Metallic glass
Glass
Composite materials
X ray absorption spectroscopy
Ternary alloys
Neutron diffraction
Electron diffraction
Distribution functions
Molecular dynamics
Substitution reactions
Viscosity
Crystalline materials
X ray diffraction
Computer simulation

Keywords

  • Diffraction
  • EXAFS
  • Metallic glass
  • Phase formation
  • Structure

ASJC Scopus subject areas

  • Ceramics and Composites
  • Metals and Alloys
  • Polymers and Plastics
  • Electronic, Optical and Magnetic Materials

Cite this

Kaban, I., Jóvári, P., Escher, B., Tran, D. T., Svensson, G., Webb, M. A., ... Eckert, J. (2015). Atomic structure and formation of CuZrAl bulk metallic glasses and composites. Acta Materialia, 100, 369-376. [12388]. https://doi.org/10.1016/j.actamat.2015.08.060

Atomic structure and formation of CuZrAl bulk metallic glasses and composites. / Kaban, I.; Jóvári, P.; Escher, B.; Tran, D. T.; Svensson, G.; Webb, M. A.; Regier, T. Z.; Kokotin, V.; Beuneu, B.; Gemming, T.; Eckert, J.

In: Acta Materialia, Vol. 100, 12388, 01.11.2015, p. 369-376.

Research output: Contribution to journalArticle

Kaban, I, Jóvári, P, Escher, B, Tran, DT, Svensson, G, Webb, MA, Regier, TZ, Kokotin, V, Beuneu, B, Gemming, T & Eckert, J 2015, 'Atomic structure and formation of CuZrAl bulk metallic glasses and composites', Acta Materialia, vol. 100, 12388, pp. 369-376. https://doi.org/10.1016/j.actamat.2015.08.060
Kaban, I. ; Jóvári, P. ; Escher, B. ; Tran, D. T. ; Svensson, G. ; Webb, M. A. ; Regier, T. Z. ; Kokotin, V. ; Beuneu, B. ; Gemming, T. ; Eckert, J. / Atomic structure and formation of CuZrAl bulk metallic glasses and composites. In: Acta Materialia. 2015 ; Vol. 100. pp. 369-376.
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AU - Webb, M. A.

AU - Regier, T. Z.

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AB - Cu47.5Zr47.5Al5 metallic glass is studied experimentally by high-energy X-ray diffraction, neutron diffraction with isotopic substitution, electron diffraction and X-ray absorption spectroscopy. The atomic structure of the glass is modeled by reverse Monte-Carlo and molecular dynamics simulations. RMC modeling of seven experimental datasets enabled reliable separation of all partial pair distribution functions for Cu47.5Zr47.5Al5 metallic glass. A peculiar structural feature of the ternary alloy is formation of the strong Al-Zr bonds, which are supposed to determine its high viscosity and enhanced bulk glass formation. Analysis of the local atomic order in Cu47.5Zr47.5Al5 glass and Cu10Zr7, CuZr2 and CuZr B2 crystalline structures elucidates their similarities and differences explaining the phase formation sequence by devitrification of the glass.

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