X-ray and neutron diffraction studies and reverse Monte Carlo simulations of an amorphousNi60Ti40 alloy produced by mechanical alloying

Abstract

The local atomic order of an amorphousNi60Ti40 alloy produced by mechanical alloying was studied by x-ray diffraction (XRD) and neutrondiffraction techniques (ND). The total structure factors derived from the XRD and NDmeasurements were simulated by using the reverse Monte Carlo (RMC) method.The simulations were used to compute the partial pair distribution functionsGijRMC(r) andthe partialstructure factors SijRMC(K). From these functions, coordination numbers and interatomic distances for the firstneighbours were calculated. There is a shortening in the heteropolar distance and apreference in forming unlike pairs, indicating a relatively strong chemical short-range orderin the alloy.