STUDY OF THE EFFECT OF AL ADDITION ON THE IMPROVEMENT OF MECHANICAL PROPERTIES OF (ZR0.5CU0.5)100-XALX METALLIC GLASSES BY MOLECULAR DYNAMICS SIMULATIONS

There has been a growing interest in bulk metallic glasses (BMGs) due to their uniquephysical and mechanical properties [1]. Simple composition, large glass forming ability(GFA), and wide composition range of Cu-Zr MGs has led to great research efforts [2]. Thenature of mechanical properties of BMGs is still a challenging issue and the relationshipbetween composition and mechanical properties is not completely understood [3]. Al additionto Cu-Zr MGs plays a key role in mechanical behavior of Zr-Cu MGs [4].In this study, we approach mechanical behavior of (Zr0.5Cu0.5)100-xAlx MGs (x = 0, 2,4, 6, and 8) from a different perspective, and propose pair energy analysis and its relationwith mechanical properties in the Zr-Cu-Al systems. Our results provide an understandinghow Al addition improves mechanical behavior of the systems from the energetic point ofview.