Coarse-grained description of localized inelastic deformation in amorphous metals

The sequence of shear transformation events that lead to a shear band transition in amorphous metals is described by a spatially random coarse-grained model calibrated to obey the thermodynamic scaling relations that govern flow in a real glass. The model demonstrates that shear banding is a consequence of local shear transformation events that self-organize along planes of maximum resolved shear stress to form extended bands of highly localized deformation. This description suggests that shear band formation is incipient during the early stages of deformation of a randomly inhomogeneous material

Characterization of the interface between the bulk glass forming alloy Zr_(41)Ti_(14)Cu_(12)Ni_(10)Be_(23) with pure metals and ceramics

The reaction of the bulk glass forming alloy Zr_(41)Ti_(14)Cu_(12)Ni_(10)Be_(23) (Vit 1) with W, Ta, Mo, AlN, Al_2O_3, Si, graphite, and amorphous carbon was investigated. Vit 1 samples were melted and subsequently solidified after different processing times on discs of the different materials. Sessile drop examinations of the macroscopic wetting of Vit 1 on the discs as a function of temperature were carried out in situ with a digital optical camera. The reactions at the interfaces between the Vit 1 sample and the different disc materials were investigated with an electron microprobe. The structure and thermal stability of the processed Vit 1 samples were examined by x-ray diffraction and differential scanning calorimetry. The results are discussed in terms of possible applications for composite materials

Atomic-scale expressions for viscosity and fragile-strong behavior in metal alloys based on the Zwanzig-Mountain formula

We combine the shoving model of $T$-dependent viscosity of supercooled liquids with the Zwanzig-Mountain formula for the high-frequency shear modulus, using the $g(r)$ of MD simulations of metal alloys as the input. This scheme leads to a semi-analytical expression for the viscosity as a function of temperature, which provides a three-parameter model fitting of experimental data of viscosity for the same alloy for which $g(r)$ was calculated. The model provides direct access to the influence of atomic-scale physical quantities such as the interatomic potential $\phi(r)$, on the viscosity and fragile-strong behavior. In particular, it is established that a steeper interatomic repulsion leads to fragile liquids, or, conversely, that "soft atoms make strong liquids"

Anelastic to Plastic Transition in Metallic Glass-Forming Liquids

The configurational properties associated with the transition from anelasticity to plasticity in a transiently deforming metallic glass-forming liquid are studied. The data reveal that the underlying transition kinetics for flow can be separated into reversible and irreversible configurational hopping across the liquid energy landscape, identified with beta and alpha relaxation processes, respectively. A critical stress characterizing the transition is recognized as an effective Eshelby “backstress,” revealing a link between the apparent anelasticity and the “confinement stress” of the elastic matrix surrounding the plastic core of a shear transformation zone

Interatomic repulsion softness directly controls the fragility of supercooled metallic melts.

We present an analytic scheme to connect the fragility and viscoelasticity of metallic glasses to the effective ion-ion interaction in the metal. This is achieved by an approximation of the short-range repulsive part of the interaction, combined with nonaffine lattice dynamics to obtain analytical expressions for the shear modulus, viscosity, and fragility in terms of the ion-ion interaction. By fitting the theoretical model to experimental data, we are able to link the steepness of the interionic repulsion to the Thomas-Fermi screened Coulomb repulsion and to the Born-Mayer valence electron overlap repulsion for various alloys. The result is a simple closed-form expression for the fragility of the supercooled liquid metal in terms of few crucial atomic-scale interaction and anharmonicity parameters. In particular, a linear relationship is found between the fragility and the energy scales of both the screened Coulomb and the electron overlap repulsions. This relationship opens up opportunities to fabricate alloys with tailored thermoelasticity and fragility by rationally tuning the chemical composition of the alloy according to general principles. The analysis presented here brings a new way of looking at the link between the outer shell electronic structure of metals and metalloids and the viscoelasticity and fragility thereof.The support of the Technische Universität München Institute for Advanced Study, funded by the German Excellence Initiative and the European Union 7th Framework Programme under Grant Agreement 291763, is acknowledged.This is the author accepted manuscript. The final version is available from PNAS via http://dx.doi.org/10.1073/pnas.150374111

Tuning the memory dependence of vapour deposited metallic glasses

Peer ReviewedPostprint (published version

Formation of Two Glass Phases in Binary Cu-Ag Liquid

The glass transition is alternatively described as either a dynamic transition in which there is a dramatic slowing down of the kinetics, or as a thermodynamic phase transition. To examine the physical origin of the glass transition in fragile Cu-Ag liquids, we employed molecular dynamics (MD) simulations on systems in the range of 32,000 to 2,048,000 atoms. Surprisingly, we identified a 1st order freezing transition from liquid (L) to metastable heterogenous solid-like phase, denoted as the G-glass, when a supercooled liquid evolves isothermally below its melting temperature at deep undercooling. In contrast, a more homogenous liquid-like glass, denoted as the L-glass, is achieved when the liquid is quenched continuously to room temperature with a fast cooling rate of ∼10¹¹ K/sec. We report a thermodynamic description of the L-G transition and characterize the correlation length of the heterogenous structure in the G-glass. The shear modulus of the G-glass is significantly higher than the L-glass, suggesting that the first order L-G transition is linked fundamentally to long-range elasticity involving elementary configurational excitations in the G-glass

Cooperative Shear Model for the Rheology of Glass-Forming Metallic Liquids

A rheological law based on the concept of cooperatively sheared flow zones is presented, in which the effective thermodynamic state variable controlling flow is identified to be the isoconfigurational shear modulus of the liquid. The law captures Newtonian as well as non-Newtonian viscosity data for glass-forming metallic liquids over a broad range of fragility. Acoustic measurements on specimens deformed at a constant strain rate correlate well with the measured steady-state viscosities, hence verifying that viscosity has a unique functional relationship with the isoconfigurational shear modulus