Ab initio molecular dynamics study of TiZrNbHfTa and VZrMoHfW liquid alloys

The structural and dynamical properties of liquid alloys are directly related to their solidification process, and consequently to the properties of as-cast solid alloys. Ab initio molecular dynamics is a powerful tool that can be used to study both of these factors. Thus, in this work, TiZrNbHfTa and VZrMoHfW liquid equiatomic alloys, exclusively consisting of transition metal (TM) elements, are studied using ab initio molecular dynamics via...