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A novel thermal rejuvenation treatment facility for Zr-based bulk metallic glass (BMG) was developed, consisting of a rapid heating and indirect liquid nitrogen quenching process. The re-introduction of free volume into thermally rejuvenated BMG results in more disordered state. The rejuvenation improves ductility, implying that the re-introduced free volume aids in the recovery of the shear transformation zone (STZ) site and volume. Actually, it is confirmed that relaxation significantly reduces STZ volume; however, it is recovered by thermal rejuvenation. Molecular dynamics simulations also indicate that rejuvenation enhances homogeneous deformation. The current findings indicate that the thermal rejuvenation method is extremely effective for recovering or improving the ductility of metallic glass that has been lost due to relaxation., (© 2023 IOP Publishing Ltd.)

The structure of Cu 67 Zr 33 amorphous alloy was investigated in terms of packing density and free volume by using neutron, x-ray diffraction and reverse Monte Carlo (RMC) modelling. The RMC model was analysed by a method of decomposing the three-dimensional atomic configuration into fundamental polyhedral units (termed as 'holes' referencing the Bernal's works) of which faces are all triangles consisting of chemical bonds. Not only tetrahedral and octahedral holes but also other larger holes were identified. Moreover, the atomic packing fractions and free volumes in the respective polyhedral holes were evaluated with reference to those for the corresponding crystal structures. The results show that the distribution of free volumes for the larger holes can be described by the exponential function assuming that there are no energetic interactions between each other. On the other hand, the local structural fluctuations due to densely and loosely packed tetrahedral holes were observed, leading to the negative free volume spaces., (© 2021 IOP Publishing Ltd.)

The effects of Pd and Pt, which are known quasicrystal (QC)-forming elements, on the local atomic structure in Zr(70)Cu(30) glassy alloys are investigated. A QC phase precipitates from a glassy phase above a certain temperature by a cooperative-like motion of icosahedral clusters. Quasicrystallization is accompanied by a significant change in the local environment around the Zr atoms and a slight change around the noble metal. However, the local environment around the Cu atoms remains almost the same during QC formation. It is suggested that two types of icosahedral polyhedra exist in the glassy state: one has a relatively perfect icosahedral structure formed around the Zr atoms. The other is in a distorted state around the Cu atoms. We speculate that the medium-range order (i.e. QC nucleus) has a Zr-centered icosahedral cluster as its core, and the QC grows via aggregation of possible clusters in the initial stage. Pd or Pt atoms stabilize and/or connect individual Zr-centered icosahedral clusters, facilitating the formation of the nucleus and growth of the QC phase., (© 2011 IOP Publishing Ltd)

The local atomic structure of nano-quasicrystal-forming Zr(80)Pt(20) binary glassy alloy was investigated by reverse Monte Carlo modeling based on the results of x-ray diffraction. A prepeak at Q∼17 nm(-1) originating from the unique bonding between the Pt-Pt pair is observed in the structure factor. Voronoi analysis indicates that an icosahedral-like polyhedron is formed around Pt. It is also found that icosahedral-like polyhedra exist around Zr; however, the fraction of perfect icosahedra is considerably lower than that in the nano-quasicrystalforming Zr(70)Pd(30) glassy alloy. A difference in the local environment between the two binary quasicrystal-forming glassy alloys is suggested.