SIMULATION OF SHORT-RANGE ORDER IN FCC ALLOYS

Citation
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
Citations number
40
Categorie Soggetti
Crystallography
ISSN journal
01087673
Volume
51
Year of publication
1995
Part
2
Pages
153 - 158
Database
ISI
SICI code
0108-7673(1995)51:<153:SOSOIF>2.0.ZU;2-E
Abstract
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.