Monte Carlo calculation of A 3 B (111) ordering transition and surface X-ray intensities

Abstract

A Monte Carlo simulation of an ordering phase transition in the surface region of a f.c.c.-type A 3 B binary alloy is reported. The main emphasis of this simulation is the evaluation of short and long-range-order correlations near the surface which are used for calculating X-ray intensities under grazing-incident-angle conditions. These calculations suggest effective ways of conducting surface diffraction experiments on order-disorder phase transitions. The simulation results are also compared with available experimental data.