aMaterials Research Lab, Department of Physics, Birla College, Kalyan – 421304, India bNaval Material Research Lab, Shil-Badlapur Road Ambernath, Thane, Maharashtra – 42150, India
Abstract:
Binary Cu$_{x}$Zr$_{1-x}$ (x = 0.46, 0.50, 0.58, 0.62) alloy systems were developed using a conventional melting route. Molecular dynamics (MD) simulations have been carried out using the embedded atom method (EAM) potentials. Radial distribution function (RDF) and Voronoi calculations have been conceded for amorphous structure verification. The reduced glass transition temperature (T$_{rg}$ ) has been determined in order to predict the glass forming ability (GFA) of these alloys. T$_{l}$ is found to be a better substitute for T$_{m}$ and the simulated T$_{rg}$ values are seen to be in good agreement with the experimental results in limits of 0.8 – 5.4 %.
Keywords:amorphous materials, simulation and modelling, structural and thermal properties.