Electronic Resource
[S.l.]
:
International Union of Crystallography (IUCr)
Acta crystallographica
51 (1995), S. 153-158
ISSN:
1600-5724
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
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 Tc. 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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0108767394008925
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