Understanding the relationship between atomic structures and transport properties in (Cu0.5Zr0.5)100−xAlx (≤10) glass forming liquids: Molecular dynamics simulations

► Atomic structures and transport properties in CuZrAl are systematically studied. ► Chemical environment of icosahedra clusters contribute to glass forming ability. ► Icosahedra clusters are categorized into three groups based on Al additions. ► Clusters of group III correlate well to transport properties and glass formation.