Revealing structural changes at glass transition via radial distribution functions.

Transformation of glasses into liquids is discussed in terms of configuron (broken chemical bond or transformation of an atom from one to another atomic shell) percolation theory with structural changes caused. The first sharp diffraction minimum (FSDM) in the pair distribution function (PDF) is shown to contain information on structural changes in amorphous materials at the glass transition temperature (Tg). A method to determine the glass transition temperature is proposed based on allocating Tg to the temperature when a sharp kink in FSDM occurs. The method proposed is more sensitive compared with empirical criterion of Wendt-Abraham; e.g., for amorphous Ni the kink that determines Tg is almost twice sharper. Connection between the kink in fictive temperature behavior of PDF and Wendt-Abraham criterion is discussed

On structural rearrangements during the vitrification of molten copper

We utilise displacement analysis of Cu-atoms between the chemical bond-centred Voronoi polyhedrons to reveal structural changes at the glass transition. We confirm that the disordered congruent bond lattice of Cu loses its rigidity above the glass transition temperature (Tg) in line with Kantor–Webman theorem due to percolation via configurons (broken Cu-Cu chemical bonds). We reveal that the amorphous Cu has the Tg = 794 ± 10 K at the cooling rate q = 1 × 1013 K/s and that the determination of Tg based on analysis of first sharp diffraction minimum (FDSM) is sharper compared with classical Wendt–Abraham empirical criterion

Compressive plasticity of a La-based glass-crystal composite at cryogenic temperatures

The La55Al25Cu10Ni10–10 vol.% Ti glassy composites have excellent compressive strength and plasticity at room temperature (RT). At cryogenic temperature (77 K), neither the glassy matrix, nor the Ti particles undergo embrittlement, and the composite retains appreciable toughness. Surprisingly, despite significant shear band plasticity at 77 K, failure occurs in a mixed mode manner, with large areas showing quasi-cleavage features that appear to initiate from cracks at the glass-Ti interfaces, which also limit the overall plastic strain. Interface engineering is the key to further alloy development for even better properties.This is the author accepted manuscript. The final version is available from Elsevier via http://dx.doi.org/10.1016/j.matdes.2016.03.14

Shear-induced chemical segregation in a Fe-based bulk metallic glass at room temperature.

Shear-induced segregation, by particle size, is known in the flow of colloids and granular media, but is unexpected at the atomic level in the deformation of solid materials, especially at room temperature. In nanoscale wear tests of an Fe-based bulk metallic glass at room temperature, without significant surface heating, we find that intense shear localization under a scanned indenter tip can induce strong segregation of a dilute large-atom solute (Y) to planar regions that then crystallize as a Y-rich solid solution. There is stiffening of the material, and the underlying chemical and structural effects are characterized by transmission electron microscopy. The key influence of the soft Fe-Y interatomic interaction is investigated by ab-initio calculation. The driving force for the induced segregation, and its mechanisms, are considered by comparison with effects in other sheared media

Phase separation process preventing thermal embrittlement of a Zr-Cu-Fe-Al bulk metallic glass

The structural changes and mechanical properties of a Zr 63 Cu 22 Fe 5 Al 10 bulk metallic glass (BMG), and a Zr 63 Cu 27 Al 10 one made for comparison, were studied on annealing below the crystallization temperature. The phase composition of the samples was studied by conventional X-ray diffractometry and high-resolution transmission electron microscopy including the atomic-scale elemental mapping. The samples were mechanically tested in compression. The Zr 63 Cu 22 Fe 5 Al 10 bulk metallic glass shows a high strength and good deformability at room temperature both in the as-cast state and after prolonged structural relaxation below the crystallization temperature. The reasons for such behavior are discussed in the present work

High-resolution transmission electron microscopy investigation of diffusion in metallic glass multilayer films

Lack of plasticity is one of the main disadvantages of metallic glasses. One of the solutions to this problem can be composite materials. Diffusion bonding is promising for composite fabrication. In the present work the diffusion process in glassy multilayer films was investigated. A combination of advanced transmission electron microscopy (TEM)methods and precision sputtering techniques allows visualization and study of diffusion in amorphous metallic layers with high resolution. Multilayered films were obtained by radio frequency sputter deposition of Zr-Cu and Zr-Pd. The multilayers were annealed under a high vacuum (10 −5 Pa)for 1 and 5 h at 400 °C, that is, well below the crystallization temperatures but very close to the glass-transition temperatures of both types of the glassy layer. The structural evolution in the deposited films was investigated by high-resolution transmission electron microscopy. It was observed that, despite the big differences in the atomic mass and size, Pd and Cu have similar diffusion coefficients. Surprisingly, 1 h of annealing results in formation of metastable copper nanocrystals in the Zr-Cu layers which, however, disappear after 5 h of annealing. This effect may be connected with nanovoid formation under a complex stress state evolving upon annealing, and is related to the exceptionally slow relaxation of the glassy layers sealed with a Ta overlayer.The authors acknowledge the financial support through the European Research Council under the ERC Advanced Grants INTELHYB (grant ERC-2013-ADG-340025) and ExtendGlass (grant ERC-2015-AdG-695487), the German Science Foundation (DFG) under the grant SO 1518/1-1, and the Ministry of Education and Science of the Russian Federation in the framework of the ‘Increase Competitiveness’ program of NUST ‘MISiS’ (№ К2-2014-013 and К2-2017-089)

Phase-field modeling of eutectic structures on the nanoscale: the effect of anisotropy

This is a post-peer-review, pre-copyedit version of an article published in Journal of Materials Science. The final authenticated version is available online at: https://doi.org/10.1007/s10853-017-0853-8A simple phase-field model is used to address anisotropic eutectic freezing on the nanoscale in two (2D) and three dimensions (3D). Comparing parameter-free simulations with experiments, it is demonstrated that the employed model can be made quantitative for Ag-Cu. Next, we explore the effect of material properties, and the conditions of freezing on the eutectic pattern. We find that the anisotropies of kinetic coefficient and the interfacial free energies (solid-liquid and solid-solid), the crystal misorientation relative to pulling, the lateral temperature gradient, play essential roles in determining the eutectic pattern. Finally, we explore eutectic morphologies, which form when one of the solid phases are faceted, and investigate cases, in which the kinetic anisotropy for the two solid phases are drastically different

Role of different factors in the glass-forming ability of binary alloys

International audienceIn the present work, we discuss the glass-forming ability of various binary alloys in which the glassy phase was not formed even by melt spinning technique with high cooling rate of the melt up to 1 MK/s (some consisted of partly glassy phase), though by commonly accepted guidelines, these alloys could be as good glass-formers as many other binary glasses. The alloys studied belong to binary systems with multiple eutectics; the constituent elements have a negative enthalpy of mixing, and a significant variability of atomic size differences is observed from system to system. The results indicate the necessity of taking into account simultaneously various factors influencing the glass-forming ability including melt fragility