Abstract

This study investigates the structural, mechanical, and rheological properties of ZrNb metallic glasses using molecular dynamics simulations. The glass transition temperature was found to be influenced by the Nb content, with increasing content leading to higher transition temperatures. Analysis of structural features using Voronoi polyhedra revealed a correlation between Nb content and the prevalence of icosahedra-like clusters in the metallic glasses. Mechanical characterization showed that Nb-rich samples exhibited superior mechanical properties, attributed to higher populations of icosahedra-like clusters, albeit at the cost of lower ductility. Rheological analysis demonstrated that the samples follow a Herschel-Bulkley model, with Nb-rich samples exhibiting higher viscosity compared to Nb-poor samples. These findings highlight the significance of Nb content in tailoring the properties and flow behavior of ZrNb metallic glasses.