Theoretical study of antiphase boundaries in fcc alloys

Finel, A.; Mazauric, Vincent; Ducastelle, F.

doi:10.1103/physrevlett.65.1016

Cited by 68 publications

(25 citation statements)

References 10 publications

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“…Of course a more complicated situation would have occurred if near/at the APB the concentrations would have entered the two-phase region, possibly making the APB in Cu 3 Au unstable with respect to the Ag-rich phase. Then a disordered wetting layer could develop at the APB that is of a different nature to that analyzed for the binary Cu-Au system [7,10,11]. However, although the present results are very limited and relatively far below T C , they seem to indicate that such a wetting layer will not develop.…”

Section: Anti-phase Boundariescontrasting

confidence: 50%

“…The accuracy of the method used by Kikuchi and Cahn [7] to obtain the concentration profiles was debated by Finel et al [10,11]. The criticism holds in particular for the calculations performed near critical points such as the congruent point of Cu 3 Au.…”

Section: Introductionmentioning

confidence: 99%

“…Only very near to the critical temperature is true disordering (i.e. wetting of the APB) anticipated, where the width of the wetting layer is proportional to log(T C ϪT) Ϫ1 [10,11].…”

Section: Anti-phase Boundariesmentioning

confidence: 99%

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Equilibrium segregation at coherent (1 0 0) interfaces in ternary fcc systems analyzed using the cluster variation method

Kooi

2003

Acta Materialia

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Citation for published version (APA): Kooi, B. J. (2003). Equilibrium segregation at coherent (100) interfaces in ternary fcc systems analyzed using the cluster variation method. Acta Materialia, 51(15), 4653-4665. DOI: 10.1016 Copyright Other than for strictly personal use, it is not permitted to download or to forward/distribute the text or part of it without the consent of the author(s) and/or copyright holder(s), unless the work is under an open content license (like Creative Commons).Take-down policy If you believe that this document breaches copyright please contact us providing details, and we will remove access to the work immediately and investigate your claim.Downloaded from the University of Groningen/UMCG research database (Pure): http://www.rug.nl/research/portal. For technical reasons the number of authors shown on this cover page is limited to 10 maximum. AbstractIn order to study equilibrium segregation, composition profiles around coherent (1 0 0) interfaces in ternary fcc systems were calculated using the cluster variation method within the tetrahedron approximation. A comparison with a previous regular-solution (RS) based model was made for interfaces between two disordered phases. This RS model overestimates the maximum atomic fraction of the segregant at the interface when its bulk value is Ͼ0.1. The oscillatory decay in segregant concentration from its maximum at the interface to its bulk value is much less damped in the case of the RS model. Analysis of the damping behavior leads to a very good agreement with results from free energy expansion approximations. Finally, the CVM calculations were extended to interfaces between ordered ternary fcc phases or anti-phase boundaries. Results for the interface between the L1 2 -Cu 3 Au(Ag) phase and a disordered Ag-rich phase in equilibrium at 583 K, and for a non-conservative APB in the same alloy, point to a strong suppression of order near the interfaces.

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Section: Anti-phase Boundariescontrasting

confidence: 50%

Section: Introductionmentioning

confidence: 99%

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Equilibrium segregation at coherent (1 0 0) interfaces in ternary fcc systems analyzed using the cluster variation method

Kooi

2003

Acta Materialia

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“…A study has been devoted to the case of the surface orderdisorder transition [15], where in accordance to the experimental results the surface layers show a continuous transition with transition temperature close to the bulk order-disorder transition. The study of Finel et al [16] has shown that at the antiphase boundary there is sequence of first-order transitions corresponding to the orderdisorder transition of pairs of atomic planes near the interphase. This study has been done using the chemical variation method, which is of the mean field type.…”

Section: Introductionmentioning

confidence: 99%

Constant temperature and pressure monte carlo study of the order-disorder transition of Cu3Au

Polatoglou

Bleris

1994

Interface Sci

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An N-body potential is found for the intermetallic CusAu and is tested for both the static and dynamic properties. This potential is a better approximation than the pair potentials and can be used for the description of defects and the relaxation effects on the order-disorder transition. It is the first time that such a potential can reproduce the dynamical properties of a first-order phase transition. Although the transition temperature is lower than the experimental findings by 25%, it is found that many of the macroscopic properties change at the critical point in a steplike fashion and have, compared to known experimental data, the correct discontinuity. This is quite remarkable since all the parameters have been determined at T = 0 K. Also the chemical potential difference between Cu and Au is determined for the stoichiometry of Cu3Au. This quantity is continuous at the transition temperature and shows a discontinuity in its slope.

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“…As an annealing temperature increases toward a transition temperature, the APB region is gradually widened in order to decrease the excess free energy, which has been well known as a wetting behavior. 1,2) And a further decrease of the excess free energy is attained by a coarsening of ordered domains.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Investigation of Coarsening Process of L1<SUB>0</SUB>-Ordered Domain Based on Phase Field Method and Cluster Variation Method

Ohno

Mohri

2002

Mater. Trans.

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A hybridized calculation of Phase Field Method and Cluster Variation Method is applied to investigate the relaxation process of LongRange-Order parameter (LRO) originating from competitive growth of ordered domains. It is shown that the coarsening process proceeds by both the curvature-driven growth and coalescence among in-phase ordered domains. In the early annealing period, an average radius of ordered domains increases proportional to t 1/2 as predicted by the curvature-driven growth. In the later period, however, a deviation from this relation is manifested by coalescence process. The LRO relaxation kinetics largely depends on the frequency of coalescence event.

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Theoretical study of antiphase boundaries in fcc alloys

Cited by 68 publications

References 10 publications

Equilibrium segregation at coherent (1 0 0) interfaces in ternary fcc systems analyzed using the cluster variation method

Equilibrium segregation at coherent (1 0 0) interfaces in ternary fcc systems analyzed using the cluster variation method

Constant temperature and pressure monte carlo study of the order-disorder transition of Cu3Au

Theoretical Investigation of Coarsening Process of L1<SUB>0</SUB>-Ordered Domain Based on Phase Field Method and Cluster Variation Method

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