Formation, microstructure and mechanical properties of ternary ZrxCu90 − xAl10 metallic glasses

• Binary Zr35Cu65 is formed using MD simulation.
• Different types of ternary metallic glass ZrxCu100 − xAl10 are formed.
• Verification of the present simulation results with published results.
• Select the best glass forming ability using compositions
• Study the stiffness and strength of different types of metallic glasses

Using the same embedded atom method (EAM) potential for Zr–Cu–Al system, binary Zr35Cu65 and ternary ZrxCu90 − xAl10 systems are simulated to form metallic glasses. Firstly to validate the present model, the total radial distribution function of formed solid Zr35Cu65 is compared with that of the published experimental results. The total radial distribution functions of Zr35Cu65 and Zr30Cu60Al10 are compared to understand the effect of the addition of Al on the total concentration sensitivity of their elements. Besides, the partial radial distribution functions of Zr–Zr, Cu–Cu and Zr–Cu as a function of the radial distance for the case of metallic glasses Zr35Cu65 and Zr30Cu60Al10 are studied to understand the effects of addition of Al on the concentration sensitivity in Zr30Cu60Al10. In the ternary system, Zr20Cu70Al10, Zr30Cu60Al10, Zr40Cu50Al10, Zr50Cu40Al10, Zr60Cu30Al10, and Zr70Cu20Al10 are formed and found out which one shows the best metallic glass that has the best glass forming ability. The best glass forming ability of metallic glasses in ternary systems is obtained from the cluster density in the solid metallic glasses and rate of volume changes with temperature during cooling. To understand the effect of heating and cooling during the simulation of Zr60Cu30Al10, the total radial distribution function of Zr60Cu30Al10, the partial radial distribution functions of Zr–Zr, Cu–Cu, Al–Al, Zr–Cu, Cu–Al and Al–Al at different temperatures are studied as a comparative manner. Effects of concentration of Zr on the stiffness and strength of ternary metallic glasses, Zr20Cu70Al10, Zr30Cu60Al10, Zr40Cu50Al10, Zr50Cu40Al10, Zr60Cu30Al10, and Zr70Cu20Al10 under tension are studied.