F. Moitzi

TL;DR: In this paper, an atomic-level investigation of the correlation between elastic and structural heterogeneities and the mechanisms of shear banding in CuZr metallic glass is conducted using molecular dynamics simulations.

TL;DR: In this article, the influence of composition and temperature on the tensile deformation behavior of amorphous PdSi metal-metalloid alloys is investigated using large-scale molecular dynamics simulations.

TL;DR: In this article, the effects of cooling rate, temperature, and applied strain rate on the tensile deformation behavior of a Cu 64 Zr 36 metallic glass (MG) were investigated using large-scale molecular dynamics simulations.

TL;DR: In this article, the atomic-level mechanisms underlying elastic and plastic deformation in metallic glasses are disclosed, given the highly heterogeneous nature of glassy materials and the related rugged energy landscape the activation of STZs is observed from an early level of elastic deformation until the final shearing stage.

TL;DR: In this paper , a computational approach based on ab initio calculations within the coherent potential approximation is presented to make the methodology predictive, applying an exchange-correlation correction to the equation of state and taking into account thermal effects on the magnetic state and the equilibrium volume.