X-ray diffraction studies and Reverse Monte Carlo simulations of the liquid binary Fe–Si and Fe–Al alloys

Abstract

The local atomic structure of Fe–Si and Fe–Al melts has been studied by X-ray diffraction and Reverse Monte Carlo simulations. It has been shown that the pre-peak in the experimental structure factors of binary melts originates from the correlation of atomic clusters, which are caused by a chemical short-range order. The formation of disordered close packing in binary melts has been discussed. The main difference between the local atomic structures of the Fe–Al and Fe–Si melts with low iron content is the formation of polytetrahedral aggregates with pentagonal symmetry in the case of Fe–Al alloys.