Thermal-activation model for freezing and the elastic robustness of bulk metallic glasses

Despite significant atomic-scale heterogeneity, bulk metallic glasses well below their glass transition temperature exhibit a surprisingly robust elastic regime and a sharp elastic-to-plastic transition. Here it is shown that, when the number of available structural transformations scales exponentially with system size, a simple thermal-activation model is able to describe these features, where yield corresponds to a change from a barrier energy dominated to a barrier entropy dominated regime of shear transformation activity, allowing the system to macroscopically exit its frozen state. A yield criterion is then developed, which describes well the existing experimental data and motivates future dedicated deformation experiments to validate the model

Shear-band arrest and stress overshoots during inhomogeneous flow in a metallic glass

At the transition from a static to a dynamic deformation regime of a shear band in bulk metallic glasses, stress transients in terms of overshoots are observed. We interpret this phenomenon with a repeated shear-melting transition and are able to access a characteristic time for a liquidlike to solidlike transition in the shear band as a function of temperature, enabling us to understand why shear bands arrest during inhomogenous serrated flow in bulk metallic glasses

The Boson peak of model glass systems and its relation to atomic structure

Abstract.: Bulk metallic glasses (BMGs) exhibit a rich variety of vibrational properties resulting from significant atomic scale disorder. The Boson peak, which reflects an enhancement of states in the low frequency regime of the vibrational density of states (VDOS), is one such experimental signature of amorphous materials that has gained much interest in recent times. However, the precise nature of these low frequency modes and how they are influenced by local atomic structure remains unclear. Past simulation work has demonstrated that such modes consist of a mixture of propagating and localized components, and have been referred to as quasi-localized modes. Using standard harmonic analysis, the present work investigates the structural origin of such modes by diagonalising the Hessian of atomistic BMG structures derived from molecular dynamics simulations using a binary Lennard Jones pair potential. It is found that the quasi-localized vibrational modes responsible for the low frequency enhancement of the VDOS exist in a structural environment characterized primarily by low elastic shear moduli, but also increased free volume, a hydrostatic pressure that is tensile, and low bulk moduli. These findings are found to arise from the long-range attractive nature of the pair-wise interaction potential, which manifests itself in the corresponding Hessian as long-range off-diagonal disorder characterized by a distribution of negative effective spring constant