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Monte Carlo calculation of A3B (111) ordering transition and surface X-ray intensities (1990)

Zhu, X. M. ; Zabel, H.

[S.l.] : International Union of Crystallography (IUCr)

Acta crystallographica 46 (1990), S. 86-94

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ISSN: 1600-5724

Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Topics: Chemistry and Pharmacology , Geosciences , Physics

Notes: A Monte Carlo simulation of an ordering phase transition in the surface region of a f.c.c.-type A3B 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.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1107/S0108767389007476

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