Clustering, microalloying and mechanical properties in Cu/Zr-based glassy models by molecular dynamics simulations and ab-initio computations

► Cu-Zr MGs consist of interpenetrating ICO-like clusters (superclusters (SCs)). ► The SCs participate in the accommodation of the tensile deformation. ► The SCs may exhibit a free of bonds (FoB) plane. ► Al microalloying changes the SCs' electronic structure inducing FoB planes. ► Control of SCs' electronic structure may lead to control of MGs' properties.