Phase equilibria in the Co-Cr-Ni system

Zhmurko, G. P.; Kabanova, E. G.; Kuznetsov, V. N.; Леонов, А. В.

doi:10.3103/s0027131408040135

Cited by 14 publications

(7 citation statements)

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“…This simplifying assumption is due to the lack of experimental data as is the case for NiCrCo ternary [5] or NiCrCoFe quaternary alloys. Experimental phase diagram determinations show that the equimolar NiCrCo alloy is a solid solution in FCC phase [6][7][8], but no information on the detailed ordering of atoms is available. In fact, short-range order (SRO) has been observed in the binary NiCr alloy at various compositions and temperatures [9][10][11] suggests that ordering between Ni-Cr pairs might also occur in the ternary and quaternary alloy.…”

Section: Introductionmentioning

confidence: 99%

Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys

et al. 2015

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Keywords:High entropy alloy Density functional theory Monte Carlo Short-range order Ni based alloys a b s t r a c t The aim of this study is to characterize some atomic-scale properties of Ni-based FCC multicomponent alloys. For this purpose, we use Monte Carlo method combined with density functional theory calculations to study short-range order (SRO), atomic displacements, electronic density of states, and magnetic moments in equimolar ternary NiCrCo, and quaternary NiCrCoFe alloys. According to our study, the salient features for the ternary alloy are a negative SRO parameter between Ni-Cr and a positive between CrCr pairs as well as a weakly magnetic state. For the quaternary alloy we predict negative SRO parameter for Ni-Cr and Ni-Fe pairs and positive for Cr-Cr and Fe-Fe pairs. Atomic displacements for both ternary and quaternary alloys are negligible. In contrast to the ternary, the quaternary alloy shows a complex magnetic structure. The electronic structure of the ternary and quaternary alloys shows differences near the Fermi energy between a random solid solution and the predicted structure with SRO. Despite that, the calculated EXAFS spectra does not show enough contrast to discriminate between random and ordered structures. The predicted SRO has an impact on point-defect energetics, electron-phonon coupling and thermodynamic functions and thus, SRO should not be neglected when studying properties of these two alloys.

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Section: Introductionmentioning

confidence: 99%

Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys

et al. 2015

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“…Similar microstructural observations were made on the 50Cr-25Co-25Ni and 50Cr-30Co-20Ni alloys, with the compositions of the sigma phases being approximately 61Cr-23Co-16Ni and 60Cr-26Co-14Ni, respectively. The persistence of the alpha phase after prolonged thermal exposure at 800 C is also notable as current published ternary phase diagrams are conflicted about the phases to be expected (Kaufman & Nesor, 1974;Zhmurko et al, 2008). SXPD data collected from the 50Cr-20Co-30Ni alloy before and after thermal exposure are presented in Fig.…”

Section: Resultsmentioning

confidence: 93%

In situ study of sigma phase formation in Cr–Co–Ni ternary alloys at 800°C using the long duration experiment facility at Diamond Light Source

Connor

Christofidou

Jones

et al. 2018

J Synchrotron Radiat

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“…[17]. As is shown in Table 1, phase equilibrium data by Zhmurko et al [39], Omori et al [40], and Zhanpeng J. [41] are accounted for in the evaluation.…”

Section: Co-cr-nimentioning

confidence: 99%

“…If the description by Oikawa et al [12] is used, 0 L, 1 L and 2 L interaction parameters are required for the A2 and γ phases in order to reproduce the enthalpies of formation measured by Kubaschewski and Hack [42] as well as first-principles predictions. Additional excess entropy terms and ternary σ end-members are then required to reproduce phase boundary data from Zhmurko et al [39], Omori et al [40], and Zhanpeng [41].…”

Section: Co-cr-nimentioning

confidence: 99%

“…On the other hand, with the binary description by Kusoffsky et al [13], enthalpies of formation [42] and phase boundaries [39][40][41] are well produced at 1073-1373 K without the introduction of any ternary interaction parameters. Symmetrical ternary interaction parameters are simply used to improve the phase boundary agreement at 1473-1573 K.…”

Section: Co-cr-nimentioning

confidence: 99%

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Thermodynamic modeling of Al–Co–Cr, Al–Co–Ni, Co–Cr–Ni ternary systems towards a description for Al–Co–Cr–Ni

Liu

Lindwall

Gheno

et al. 2016

Calphad

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the modeling of the subsystems, especially Al-Co-Ni and Co-Cr-Ni, necessary in building a coherent Al-Co-Cr-Ni quaternary description. Some modifications are made in the description of the Al-Co-Cr [5] system and are discussed in detail later in the manuscript. The quaternary Al-Co-Cr-Ni system is studied in a separate publication [8].While B2 (β, , simple cubic type) and fcc-A1 (γ, , disordered f.c.c.) are the desired phases in MCrAlY coatings, all other phases must be modeled to give an accurate overall description of phase stability in the system. These include bcc-A2 (α, , disordered b.c.c.), 3 Pm m 3 Fm m 3 Im m 3 hcp-A3 (ε, , disordered h.c.p.), L1 2 (γ', , simple cubic type), sigma (σ, , Frank-Kasper, Figure 1 (a)) and the binary intermetallics. The present paper focuses on evaluating and modeling the important ternary alloy systems found in the Al-Co-Cr-Ni quaternary in order to produce meaningful extrapolations without the need of excessive higher order parameters. First-principles calculations based on density functional theory (DFT) are performed to supplement the lack of experimentally measured thermochemical data. By effectively combining these results with experimental information from the literature, energetically accurate parameters in the lower order systems are evaluated. Ultimately, this model will be used in the construction of a multicomponent Al-Co-Cr-Ni database in future work. 2 Literature review 2.1 Binary models used in the present workThe assessment of the Al-Co binary by Dupin and Ansara [9] reproduces all experimental results available in the literature satisfactorily and is hence adopted in the present work. The model for B2 in the original Al-Co binary was asymmetrical and was changed to the orderdisorder model by Liu et al. in previous work on the system [5], which is adopted here. The Al-Cr assessment by Saunders, which can be found in the COST507 [10] database, is also accepted without modification. The assessment for the Al-Ni binary by Ansara et al. [11], (later modified by Dupin et al. [6]) has been used extensively previously and is, therefore, adopted in the present work. There are two descriptions of the Co-Cr binary available which both reproduce certain experiments well, one by Oikawa et al. [12] and another by Kusoffsky et al. [13]. However, it 3 6/ P mmc 3 Pm m 2 4/ P mnm 4 has been found that the Oikawa description has σ end-member energies which disagree with experiments by Downie and Arslan [14] though it was adopted in the previous modeling of Al-Co-Cr [5]. It is important to have correct energies in the binary subsystems to produce accurate extrapolations to the higher order systems and for this reason, the model by Kusoffsky et al. [13] is used here. The Co-Ni and Cr-Ni binary descriptions are taken from SGTE [15], based on works by Guillermet [16] and Lee [17], respectively. In addition, the present Cr-Ni description includes a metastable description of σ following the work by Gustafson [18] in the ternary Ni-Cr-W system which is later modified by Kattner [7]. Re...

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Phase equilibria in the Co-Cr-Ni system

Cited by 14 publications

References 1 publication

Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys

Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys

In situ study of sigma phase formation in Cr–Co–Ni ternary alloys at 800°C using the long duration experiment facility at Diamond Light Source

Thermodynamic modeling of Al–Co–Cr, Al–Co–Ni, Co–Cr–Ni ternary systems towards a description for Al–Co–Cr–Ni

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