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

Abstract

Cu$_{47.5}$Zr$_{47.5}$Al$_{5}$ 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 Cu$_{47.5}$Zr$_{47.5}$Al$_{5}$ 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 Cu$_{47.5}$Zr$_{47.5}$Al$_{5}$ glass and Cu$_{10}$Zr$_{7}$, CuZr$_{2}$ and CuZr B2 crystalline structures elucidates their similarities and differences explaining the phase formation sequence by devitrification of the glass.

Topics

• impedance spectroscopy
• phase
• x-ray diffraction
• simulation
• electron diffraction
• glass
• glass
• molecular dynamics
• composite
• viscosity
• neutron diffraction
• x-ray absorption spectroscopy
• reverse Monte Carlo