Ordering kinetics in an fcc (formula presented) binary alloy model: Monte Carlo studies

Physical Review B - Condensed Matter and Materials Physics

Volumn 67, Issue 13, 2003, Pages

  Kessler, M ^a   Dieterich, W ^a   Majhofer, A ^b  

^a UNIVERSITY OF KONSTANZ   (Germany)

^b UNIVERSITY OF WARSAW   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 85038337295     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.67.134201     Document Type: Article

References (30)

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14. As a result, the ground state of that model is in fact infinitely degenerate.
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17. In a first step we extracted from kinetic MC simulations the pair-correlation function of vacancies at nearest-neighbor distances within a single ordered domain, which showed no indication of a correlation effect. The absence of vacancy correlations was also inferred by our previous study of surface-induced ordering kinetics in its dependence on the average vacancy density (Ref. 4). Second, we prepared an initial configuration consisting of two equally sized ordered domains of the type (formula presented) and (formula presented) which are separated by type-II walls parallel to the (formula presented) plane. Vacancies with concentration (formula presented) were distributed randomly. During relaxation (in the temperature range considered in Fig. 77) we computed the vacancy density averaged over two successive (formula presented) planes (formula presented) and (formula presented) planes), (formula presented) The change of (formula presented) across the walls was less than 15% up to (formula presented) MC steps. (Note that type-I walls do not allow any change in the vacancy density.) In the language of Ref. 9 our model corresponds to (formula presented) and (formula presented) By contrast, choosing “symmetric” interaction parameters (formula presented) equivalent to (formula presented) we found that (formula presented) is changed drastically in the vicinity of the walls. For example, at (formula presented) it is increased by more than a factor of 6 near a type-II wall containing two A planes, see Fig. 11(b). It should be noted that a nearest-neighbor model with the latter choice of parameters would not be consistent with the experimental surface segregation at (formula presented) (001) (Ref. 11).
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