Modeling the atomic structure of an amorphous Co25Nb75 alloy produced by mechanical alloying using an additive hard sphere model and RMC simulations

X-ray and neutron diffraction studies and reverse Monte Carlo simulations of an amorphous Ni60Ti40alloy produced by mechanical alloying

“…The basic idea and the algorithm of the standard RMC method are described elsewhere [4][5][6][7] and its application to different materials is reported in the literature [8][9][10][11]. In the RMC procedure, a three-dimensional arrangement of atoms with the same density and chemical composition of the alloy is placed into a cell (usually cubic) with periodic boundary conditions and the G RMC i j…”

“…In order to study the local structure of amorphous alloys, the total structure factor S(K ) derived from XRD or ND measurements can be used as input data. There are several papers reporting results about the application of the RMC method to investigate the structures of amorphous alloys [8][9][10][11]. From the simulations, the partial pair distribution functions G RMC i j (r ) and partial structure factors S RMC i j (K ) can be found, and from them, coordination numbers and interatomic distances can be determined.…”