The order-disorder transition in the quasi-binary cross section Cu50Ni50−xZnx

Wegen, G.J.L. van der; Rooy, A. de; Bronsveld, P.M.; Hosson, J.Th.M. De

doi:10.1016/0036-9748(81)90098-3

Cited by 14 publications

(4 citation statements)

References 6 publications

(5 reference statements)

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“…The corresponding eigenvector of 5(2l describes a structure composed of four interpenetrating simple cubic lattices, where on one sublattice the probability for finding Zn is greatly enhanced and the probability for finding Cu or Ni is correspondingly reduced; on the remaining three sublattices the situation is reversed. This is consistent with the partially ordered modified Ll 2 structure seen experimentally [8,12]. Further, given k(r and the alloy composition, the theory of concentration waves [14] constructs, on the basis of symmetry alone, the fully ordered modified Ll o structure seen experimentally [4].…”

supporting

confidence: 78%

Commensurate and Incommensurate Ordering Tendencies in the Ternary fcc Cu-Ni-Zn System

1995

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We show that Fermi-surface (FS) nesting drives both the incommensurate and commensurate ordering tendencies of the fcc ternary Cu-Ni-Zn system. Surprisingly, commensurate order persists over a wide range of composition, despite its origins. For Cu2NiZn, we discuss how FS nesting and the other effects of alloying lead to ordering tendencies consistent with the experimentally observed orderdisorder transformations.All calculations are based on a first-principles theory of the atomic short-range order in alloys with an arbitrary number of components.

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supporting

confidence: 78%

Commensurate and Incommensurate Ordering Tendencies in the Ternary fcc Cu-Ni-Zn System

1995

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“…A1 Cu 2 NiZn. Hashimoto et al [47] and Van der Wegen and co-workers [48,49] showed first-order structural transitions from A1 Cu 2 NiZn occur at 774 K to a {100}-type partially ordered L1 2 structure. Althoff et al [8] predicted {100}-type ordering corresponding to the partially ordered L1 2 phase with T sp = 980 K, driven by strong Ni-Zn correlations arising directly from Fermi-surface nesting features, as also found here.…”

Section: A Validation and Example Analysismentioning

confidence: 99%

Atomic short-range order and incipient long-range order in high-entropy alloys

2015

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Within density-functional theory, we apply an electronic-structure-based thermodynamic theory to calculate short-ranged order (SRO) in homogeneously disordered substitutional N-component alloys, and its electronic origin. Using the geometric properties of an (N−1) simplex that describes the Gibbs (compositional) space, we derive the analytic transform of the SRO eigenvectors that provides a unique description of high-temperature SRO in N-component alloys and the incipient low-temperature long-range order. We apply the electronic-based thermodynamic theory and the new general analysis to ternaries (A1 CuNi-Zn and A2 Nb-Al-Ti) for validation, and then to quinary Al-Co-Cr-Fe-Ni high-entropy alloys for predictive assessment. Within density-functional theory, we apply an electronic-structure-based thermodynamic theory to calculate short-ranged order (SRO) in homogeneously disordered substitutional N -component alloys, and its electronic origin. Using the geometric properties of an (N − 1) simplex that describes the Gibbs (compositional) space, we derive the analytic transform of the SRO eigenvectors that provides a unique description of high-temperature SRO in N -component alloys and the incipient low-temperature long-range order. We apply the electronic-based thermodynamic theory and the new general analysis to ternaries (A1 Cu-Ni-Zn and A2 Nb-Al-Ti) for validation, and then to quinary Al-Co-Cr-Fe-Ni high-entropy alloys for predictive assessment. Keywords Materials Science and Engineering

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“…These structural parameters compare quite well with those of the existing theoretical and experimental findings. 22,33 As already mentioned in Sec. I, for the alloy Cu 2 NiZn, three different structural phases are formed during the thermal processing: an ordered Heusler-type Cu 2 NiZn alloy phase, an intermediate phase with partial atomic ordering in a L1 2 -type structure ͑Cu 1−x Ni x ͒ 3 Zn, and a completely disordered face-centered-cubic solid solution, Cu 1−x−y Ni x Zn y .…”

Section: Computational Detailsmentioning

confidence: 84%

“…The first example of alloys also known as German silver or New silver is of technological interest, which according to the generally accepted interpretation of a large body of experimental investigations 22 undergoes two phase transitions during thermal treatment: ͑a͒ at about 774 K from the disordered face-centered-cubic solid solution Cu 50 Ni 25 Zn 25 to an intermediate L1 2 phase with local atomic ordering ͑as deduced from the anomalous x-ray scattering experiments͒ and ͑b͒ at about 600 K to the ordered Heusler-type Cu 2 NiZn alloy phase. For completeness and comparison sake we shall discuss the results based on all these three phases.…”

Section: Introductionmentioning

confidence: 99%

Ab initioelectronic structure calculation of disorder ternary alloys: A reciprocal-space formulation

Alam

Mookerjee

2010

Phys. Rev. B

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Using first-principles density-functional calculations, we present a formalism for a reciprocal-space study of the electronic structure of random ternary alloys. The formalism is based on the augmented-space recursion introduced earlier by us in conjunction with the tight-binding linearized muffin-tin orbital method. Emphasis shall be given to the configurationally averaged Bloch spectral function, which will be a key quantity of our formalism and the reflection of its nature on the density of states will be discussed. We showcase the feasibility of our formalism by applying to two different alloy systems namely: face-centered-cubic based Cu 1−x−y Ni x Zn y alloy and the series of disordered ternary Invar alloys, Fe 1−x−y Ni x X y ͓X =Co,Pd,Pt͔. The effects of short-range ordering and the magnetic properties of these alloys will be discussed in some detail and it will be shown that our predicted magnetic moment agrees well with earlier results.

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The order-disorder transition in the quasi-binary cross section Cu50Ni50−xZnx

Cited by 14 publications

References 6 publications

Commensurate and Incommensurate Ordering Tendencies in the Ternary fcc Cu-Ni-Zn System

Commensurate and Incommensurate Ordering Tendencies in the Ternary fcc Cu-Ni-Zn System

Atomic short-range order and incipient long-range order in high-entropy alloys

Ab initioelectronic structure calculation of disorder ternary alloys: A reciprocal-space formulation

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