Close correlations among thermodynamic, structural and mechanical properties in Mg-Cu-Y metallic glasses

Abstract Utilizing classical molecular dynamics simulations, this paper delves into close correlations among thermodynamic, structural and mechanical properties of Mg 90- x Cu x Y 10 metallic glasses. The investigation reveals a peak in the glass transition temperature when the concentration of Cu ( c Cu ) reaches about 0.6, indicating an optimal composition for enhanced glass-forming ability within this alloy system. Additionally, the thermodynamic parameters and some atomic structures of MgCuY metallic glasses, characterized by pair distribution function, coordination number and Warren-Cowley parameters, also change at c Cu = 0.6. Moreover, a quadratic relationship is uncovered between the glass transition temperature and enthalpy of mixing, and a linear relationship between strength and c Cu is observed for c Cu < 0.6, which might be correlated with the atomic structure around Y atoms. These results have effectively verified that there is a close correlation among thermodynamic, structural and mechanical properties of metallic glass.