Simulation of short-range order in f.c.c. alloys

The videographic simulation algorithm has been further developed to enable any distribution or vector correlation among atoms or structure variants beyond the first shell. The simulation method is applied to Ni₄Mo, Au₄Mn and Cu₃Au in order to describe their real structures above T_c. One of the main advantages of the method is the rapid calculation of the diffraction pattern from the simulated videographic structure image (parallel processing). Moreover, the three-dimensional simulation field can be analysed to determine the local atomic arrangement or to calculate short-range-order parameters. The method can generally be applied to simulate defect or vacancy distributions with a specific degree of correlation.