Sh. Rahman et M. Rodewald, SIMULATION OF SHORT-RANGE ORDER IN FCC ALLOYS, Acta crystallographica. Section A, Foundations of crystallography, 51, 1995, pp. 153-158
The videographic simulation algorithm has been further developed to en
able any distribution or vector correlation among atoms or structure v
ariants beyond the first shell. The simulation method is applied to Ni
4Mo, 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 3D simulation field can be
analysed to determine the local atomic arrangement or to calculate sho
rt-range-order parameters. The method can generally be applied to simu
late defect or vacancy distributions with a specific degree of correla
tion.