Evaluation of Microstructure and Glass Transition Temperature of Al-Cu-Cr-Fe-Ni High-Entropy Alloy by Molecular Dynamics Simulation

In this study, the microstructure and glass transition temperature (Tg) of five elements (Al-Cu-Cr-Fe-Ni) high-entropy alloy was evaluated under different Al content by molecular dynamics (MD) simulations. The < NVT > ensemble and COMPASS potential were used. Firstly, the Al-Cu-Cr-Fe-Ni high-entropy alloys were melted at high temperature and were cooled with a high quenching rate further. The radial distribution function (RDF),Wendt-Abraham parameter and X-ray diffractometer (XRD) were used to analyze the change on the microstructure and glass transition temperature (Tg) of Al-Cu-Cr-Fe-Ni high-entropy alloys. Simulation results show that the micro-structure of different aluminum content of AlxCuCrFeNi alloy after fast quenching are all amorphous state. When the aluminum content decreased, the amorphous state are more obvious and the glass transition temperature decreases.