Structural Study of an Amorphous Cr_6sNb_35 Alloy Produced by Mechanical Alloying using Reverse Monte Carlo Simulations

摘要

An amorphous CigsNbss alloy was produced by using the mechanical alloying (MA) technique, Its production confirms predictions of a thermodynamic approach developed by us for the formation of binary alloys by MA, A total structure factor S(K) was derived from X-ray diffraction measurements, which was used as input data in reverse Monte Carlo (RMC) simulations for modeling the atomic structure of this alloy, From the final atomic configuration the coordination numbers, interatomic distances and bond-angle distributions for the first neighbors were obtained, The local atomic structure of this amorphous alloy was compared with that found in the Cr2Nb compound; with that predicted by the additive hard sphere (AHS) for a mixture of Cr and Nb atoms with same composition of alloy, and with those reported in the literature for the amorphous NiNbi.* (x = 50, 56, 63 and 71) alloys.