Abstract
The Co–Fe–Zr system and its Co–Zr subsystem were optimized using the CALculation of PHAse Diagram (CALPHAD) approach. The substitutional solution model was used for describing the phases liquid, fcc_A1, bcc_A2 and hcp_A3. Two Laves phases were modeled as (Co,Fe,Zr)2(Co,Fe,Zr)1, and the phases CoFe and CoZr with the bcc_B2 crystal structure were described as the ordered one of bcc_A2 in the formula (Co,Fe,Va,Zr)0.5(Co,Fe,Va,Zr)0.5Va3. With limited solubility ranges, all other phases were treated as the line compounds (Co,Fe)mZrn. An excellent agreement between the reported and calculated results was reached. The reliable thermodynamic parameters of the Co–Fe–Zr system were acquired, which can be well applied to various thermodynamic calculations and materials design.
Similar content being viewed by others
References
F. Wang, R. Li, C. Ding, W. Tang, Y. Wang, S. Xu, R. Yu, and Y. Wu, F. Wang, R. Li, C. Ding, W. Tang, Y. Wang, S. Xu, R. Yu, and Y. Wu, Recent Progress On The Hydrogen Storage Properties of ZrCo-Based Alloys Applied in International Thermonuclear Experimental Reactor (ITER), Prog. Nat. Sci. Mater., 2017, 27(1), p 58–65
R.A. Jat, R. Singh, S.C. Parida, A. Das, R. Agarwal, S.K. Mukerjee, and K.L. Ramakumar, R.A. Jat, R. Singh, S.C. Parida, A. Das, R. Agarwal, S.K. Mukerjee, and K.L. Ramakumar, Structural and Hydrogen Isotope Storage Properties of Zr–Co–Fe Alloy, Int. J. Hydrogen Energy, 2015, 40(15), p 5135–5143
C. Xie, W. Li, J. Luo, Y. Yang, and S. Li, C. Xie, W. Li, J. Luo, Y. Yang, and S. Li, Development of MAgnetic and Ductile Fe-Co-Zr-Mo-Cr Glassy Alloy Without Metalloid Elements, J. Non-Cryst. Solids, 2018, 482, p 213–216
P. Yu, J.Z. Zhang, and L. Xia, P. Yu, J.Z. Zhang, and L. Xia, Fe87Zr7B4Co2 Amorphous Alloy with Excellent Magneto-caloric Effect Near Room Temperature, Intermetallics, 2018, 95, p 85–88
A.P. Srivastava, D.A. Babu, A. Verma, A.A. Deshmukh, A. Kaushal, and U.A. Palikundwar, Understanding the Effect of Hf on Thermal Stability and Glass Forming Ability of Fe572Co308Zr7-xHfxB4Cu1 (x = 3, 5, and 7) Metallic Glasses, J. Non-Cryst. Solids, 2019. https://doi.org/10.1016/j.jnoncrysol.2018.09.016
K. Kotynia, P. Pawlik, K. Filipecka, and J. Filipecki, K. Kotynia, P. Pawlik, K. Filipecka, and J. Filipecki, Calorimetric and Structural Analysis of the Zr–Fe–Co–B–Mo–W Amorphous Alloys Doped With Gadolinium, J. Alloy. Compd., 2020, 842, p 155940
P. Gong, S. Wang, F. Li, and X. Wang, P. Gong, S. Wang, F. Li, and X. Wang, Kinetics of Glass Transition and Crystallization of a Zr40Hf10Ti4Y1Al10Cu25Ni7Co2Fe1 Bulk Metallic Glass with High Mixing Entropy, Metall. Mater. Trans. A, 2018, 49, p 2918–2928
J. Liu, Z. Xing, H. Wang, X. Cui, G. Jin, and B. Xu, J. Liu, Z. Xing, H. Wang, X. Cui, G. Jin, and B. Xu, Microstructure and Fatigue Damage Mechanism of Fe–Co–Ni–Al–Ti–Zr High-entropy Alloy Film by Nanoscale Dynamic Mechanical Analysis, Vacuum, 2019, 159, p 516–523
C. Chen, H. Zhang, Y. Fan, W. Zhang, R. Wei, S. Guan, T. Wang, B. Kong, T. Zhang, and F. Li, C. Chen, H. Zhang, Y. Fan, W. Zhang, R. Wei, S. Guan, T. Wang, B. Kong, T. Zhang, and F. Li, Crystallization and Corrosion Resistance of Zr–Ti–Y–Al–Cu–Ni–Co–Fe Complex Multi-component Bulk Metallic Glasses, Intermetallics, 2020, 118, p 106688
S.M. Hoque, S.K. Makineni, A. Pal, S.A. Rahman, S. Hossain, R. Islam, P. Ayyub, and K. Chattopadhyay, S.M. Hoque, S.K. Makineni, A. Pal, S.A. Rahman, S. Hossain, R. Islam, P. Ayyub, and K. Chattopadhyay, Two Phase Ferromagnetic Composites in Co-Zr and Co-Zr-Fe Systems Containing Anti-Phase Domain Imparting Very High Strength, Mater. Res. Bull., 2018, 97, p 61–70
C.P. Wang, Y. Yu, H.H. Zhang, H.F. Hu, and X.J. Liu, C.P. Wang, Y. Yu, H.H. Zhang, H.F. Hu, and X.J. Liu, Experimental Determination of the Phase Equilibria in the Co–Fe–Zr Ternary System, J. Alloy. Compd., 2011, 509(13), p 4470–4477
J. Wang, X. Lu, N. Zhu, and W. Zheng, J. Wang, X. Lu, N. Zhu, and W. Zheng, Thermodynamic and Diffusion kinetic Studies of the Fe-Co System, Calphad, 2017, 58, p 82–100
P. Agraval, L. Dreval, M. Turchanin, and T. Velikanova, P. Agraval, L. Dreval, M. Turchanin, and T. Velikanova, Thermodynamic Assessment of the Co-Zr System, J. Phase Equilib. Diffus., 2020, 41, p 491–499
I. Saenko, A. Kupravaa, A. Udovsky, and O. Fabrichnaya, I. Saenko, A. Kupravaa, A. Udovsky, and O. Fabrichnaya, Heat Capacity Measurement of Zr2Fe and Thermodynamic Re-assessment of the Fe–Zr System, Calphad, 2019, 66, p 101625
A.F. Guillermet, A.F. Guillermet, Critical Evaluation of the Thermodynamic Properties of the Iron-Cobalt System, High Temp. High Press., 1987, 19(5), p 477–499
I. Ohnuma, H. Enoki, O. Ikeda, R. Kainuma, H. Ohtani, B. Sundman, and K. Ishida, I. Ohnuma, H. Enoki, O. Ikeda, R. Kainuma, H. Ohtani, B. Sundman, and K. Ishida, Phase Equilibria in the Fe–Co Binary System, Acta Mater., 2002, 50(2), p 379–393
M.A. Turchanin, L.A. Dreval, A.R. Abdulov, and P.G. Agraval, M.A. Turchanin, L.A. Dreval, A.R. Abdulov, and P.G. Agraval, Mixing Enthalpies of Liquid Alloys and Thermodynamic Assessment of the Cu–Fe–Co System, Powd. Metall. Met. Ceram., 2011, 50(1–2), p 98–116
M.F. Collins, and J.B. Forsyth, M.F. Collins, and J.B. Forsyth, The Magnetic Moment Distribution in Some Transition Metal Alloys, Philos. Mag., 1963, 8(87), p 401–410
D.I. Bardos, D.I. Bardos, Mean Magnetic Moments in bcc Fe-Co Alloys, J. Appl. Phys., 1969, 40(3), p 1371–1372
M. Kogachi, N. Tadachi, H. Kohata, and H. Ishibashi, M. Kogachi, N. Tadachi, H. Kohata, and H. Ishibashi, Magnetism and Point Defect in B2-type CoFe Alloys, Intermetallics, 2005, 13(5), p 535–542
T. Chart, and F. Putland, T. Chart, and F. Putland, A Thermodynamically Calculated Phase Diagram for the Co–Cr–Zr System, Calphad, 1979, 3(1), p 9–18
N. Saunders, and A.P. Miodownik, N. Saunders, and A.P. Miodownik, Thermodynamic Aspects of Amorphous Phase Formation, J. Mater. Res., 1986, 1(1), p 38–46
J. Bratberg, and B. Jansson, J. Bratberg, and B. Jansson, Thermodynamic Evaluation of the c-co-w-hf-zr System for Cemented Carbides Applications, J. Phase Equilib. Diffus., 2006, 27(3), p 213–219
X.J. Liu, H.H. Zhang, C.P. Wang, and K. Ishida, X.J. Liu, H.H. Zhang, C.P. Wang, and K. Ishida, Experimental Determination and Thermodynamic Assessment of the Phase Diagram in the Co–Zr System, J. Alloy. Compd., 2009, 482(1–2), p 99–105
Yu.O. Esin, OYu. Sidorov, M.G. Valishev, and P.V. Geld, Yu.O. Esin, OYu. Sidorov, M.G. Valishev, and P.V. Geld, The Enthalpies of Formation of Molten Zirconium Alloys with Cobalt, TVT, 1989, 27(2), p 394–396
R. Lück, H. Wang, and B. Predel, R. Lück, H. Wang, and B. Predel, Calorimetric Determination of the Mixing Enthalpy of Liquid Cobal-Zirconium Alloys, Z. Anorg. Allg. Chem., 1993, 619(3), p 447–452
M.A. Turchanin, and P.G. Agraval, M.A. Turchanin, and P.G. Agraval, Enthalpies of Mixing of Titanium, Zirconium and Hafnium Liquid Alloys with Cobalt, Rasplavy, 2002, 2, p 8–16
A. Durga, and K.C. Hari Kumar, A. Durga, and K.C. Hari Kumar, Thermodynamic Optimization of the Co–Zr System, Calphad, 2010, 34(2), p 200–205
Kosorukova, T., Agraval, P., Ivanchenko, V., Turchanin, M, (2010) Experimental reinvestigations and thermodynamic assessment of the Co–Zr system, XI International Conference on Crystal Chemistry of Intermetallic Compounds, May 30–June 2, National University of Lviv, p 52
O.L. Semenova, V.M. Petyukh, and O.S. Fomichev, O.L. Semenova, V.M. Petyukh, and O.S. Fomichev, The Constitution of Co–Zr Phase Diagram, Powder Metall. Met. Ceram., 2016, 54(9–10), p 583–589
W.H. Pechin, D.E. Williams, and W.L. Larsen, W.H. Pechin, D.E. Williams, and W.L. Larsen, The Zirconium-Cobalt Alloy System, Trans. ASM, 1964, 57, p 464–473
S.K. Bataleva, V.V. Kuprina, V.V. Burnasheva, V.Y. Markiv, G.N. Ronami, and S.M. Kurnetsova, S.K. Bataleva, V.V. Kuprina, V.V. Burnasheva, V.Y. Markiv, G.N. Ronami, and S.M. Kurnetsova, Phase Diagram of Cobalt– Zirconium System, Moscow Univ. Chem. Bull., 1970, 25(5), p 33–36
J.C. Gachon, and J. Hertz, J.C. Gachon, and J. Hertz, Enthalpies of Formation of Binary Phases in the Systems FeTi, FeZr, CoTi, CoZr, NiTi, and NiZr, by Direct Reaction Calorimetry, Calphad, 1983, 7(1), p 1–12
Q. Guo, and O.J. Kleppa, Q. Guo, and O.J. Kleppa, Standard Enthalpies Of Formation Of Some Alloys Formed Between Group IV Elements and Group VIII Elements, Determined by High-Temperature Direct Synthesis Calorimetry II Alloys of (Ti, Zr, Hf) with (Co, Ni), J Alloy Compd, 1998, 269(1–2), p 181–186
P.A. Gomozov, Y.V. Zasypalov, and B.M. Mogutnov, P.A. Gomozov, Y.V. Zasypalov, and B.M. Mogutnov, Enthalpies of Formation Of Intermetallic Compounds with CsCl Structure (CoTi, CoZr, CoAl, NiTi), Russ. J. Phys. Chem., 1986, 60(8), p 1122–1124
R. Klein, P.A.G. O’Hare, and I. Jacob, R. Klein, P.A.G. O’Hare, and I. Jacob, Standard Molar Enthalpies of Formation of Alloys in the Pseudobinary System Zr(AlxCo1-x)2 at the Temperature 298.15 K, J Alloy Compd, 1997. https://doi.org/10.1016/S0925-8388(97)00226-0
P.R. Ohodnicki Jr., N.C. Cates, D.E. Laughlin, M.E. McHenry, and M. Widom, P.R. Ohodnicki Jr., N.C. Cates, D.E. Laughlin, M.E. McHenry, and M. Widom, Ab Initio Theoretical Study Of Magnetization And Phase Stability of the (Fe Co, Ni)23B6 and (Fe Co, Ni)23Zr6 Structures of Cr23C6 and Mn23Th6 Prototypes, Phys. Rev. B, 2008, 78(14), p 144414
C. Servant, C. Gueneau, and I. Ansara, C. Servant, C. Gueneau, and I. Ansara, Experimental and Thermodynamic Assessment of the Fe–Zr System, J. Alloy. Compd., 1995, 220(1–2), p 19–26
M. Jiang, K. Oikawa, T. Ikeshoji, L. Wulff, and K. Ishida, M. Jiang, K. Oikawa, T. Ikeshoji, L. Wulff, and K. Ishida, Thermodynamic Calculations of Fe-Zr and Fe-Zr-C Systems, J. Phase Equilib., 2001, 22(4), p 406–417
F. Stein, G. Sauthoff, and M. Palm, F. Stein, G. Sauthoff, and M. Palm, Experimental Determination Of Intermetallic Phases, Phase Equilibria, And Invariant Reaction Temperatures in the Fe-Zr System, J. Phase Equilib., 2002, 23(6), p 480–494
C. Guo, Z. Du, C. Li, B. Zhang, and M. Tao, C. Guo, Z. Du, C. Li, B. Zhang, and M. Tao, Thermodynamic Description of the Al–Fe–Zr System, Calphad, 2008, 32(4), p 637–649
Y. Yang, L. Tan, H. Bei, and J.T. Busby, Y. Yang, L. Tan, H. Bei, and J.T. Busby, Thermodynamic Modeling And Experimental Study of the Fe–Cr–Zr System, J. Nucl. Mater., 2013, 441(1–3), p 190–202
H. Lu, N. Zou, X. Zhao, J. Shen, X. Lu, and Y. He, H. Lu, N. Zou, X. Zhao, J. Shen, X. Lu, and Y. He, Thermodynamic Investigation of the Zr-Fe-Nb System and its Applications, Intermetallics, 2017, 88, p 91–100
K. Ali, A. Arya, P.S. Ghosh, and G.K. Dey, K. Ali, A. Arya, P.S. Ghosh, and G.K. Dey, A First Principles Study of Cohesive, Elastic and Electronic Properties Of Binary Fe–Zr Intermetallics, Comp. Mater. Sci., 2016, 112, p 52–66
K. Ali, P.S. Ghosh, and A. Arya, K. Ali, P.S. Ghosh, and A. Arya, A DFT Study of Structural, Elastic and Lattice Dynamical Properties of Fe2Zr and FeZr2 Intermetallics, J. Alloy. Compd., 2017, 723(5), p 611–619
B.O. Mukhamedov, I. Saenko, A.V. Ponomareva, M.J. Kriegel, A. Chugreev, A. Udovsky, O. Fabrichnaya, and I.A. Abrikosov, B.O. Mukhamedov, I. Saenko, A.V. Ponomareva, M.J. Kriegel, A. Chugreev, A. Udovsky, O. Fabrichnaya, and I.A. Abrikosov, Thermodynamic and Physical Properties Of Zr3fe And Zrfe2 Intermetallic Compounds, Intermetallics, 2019, 109, p 189–196
L.A. Panteleimonov, O.G. Burtseva, and V.V. Zubenko, L.A. Panteleimonov, O.G. Burtseva, and V.V. Zubenko, The Iron-Cobalt-Zirconium System, Moscow Univ. Chem. Bull., 1981, 36(6), p 89–90
I.V. Mishenina, E.F. Kazakova, E.M. Sokolovskaya, and N.Y. Tolmachiova, I.V. Mishenina, E.F. Kazakova, E.M. Sokolovskaya, and N.Y. Tolmachiova, Isothermal Cross-Section Of Phase Diagram of the Fe-Co-Zr System at 770 K, Moscow Univ. Chem. Bull., 1996, 51(1), p 52–54
SGTE Pure Elements (Unary) Database, Version 5.1, 〈https://www.thermocalc.com/academia/researchers/assessment-of-thermodynamic-data/〉, visited July 2 2020.
O. Redlich, and A.T. Kister, O. Redlich, and A.T. Kister, Algebraic Representation Of Thermodynamic Properties and The Classification of Solutions, Ind. Eng. Chem., 1948, 40(2), p 345–348
M. Hillert, and M. Jarl, M. Hillert, and M. Jarl, A Model For Alloying Effects In Ferromagnetic Metals, Calphad, 1978, 2(3), p 227–238
N. Dupin, and I. Ansara, N. Dupin, and I. Ansara, On The Sublattice Formalism Applied to the B2 Phase, Z. Metallkd., 1999, 90(1), p 76–85
I. Ansara, N. Dupin, H.L. Lukas, and B. Sundman, I. Ansara, N. Dupin, H.L. Lukas, and B. Sundman, Thermodynamic Assessment Of The Al–Ni System, J. Alloy. Compd., 1997, 247(1), p 20–30
B. Sundman, B. Jansson, and J.O. Andersson, B. Sundman, B. Jansson, and J.O. Andersson, The Thermo-Calc Databank System, Calphad, 1985, 9(2), p 153–190
Acknowledgment
This work was supported by Scientific Research Starting Foundation for Advanced Talents of Jiangxi University of Science and Technology (Grant No. 205200100063).
Author information
Authors and Affiliations
Corresponding author
Additional information
Publisher's Note
Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Rights and permissions
About this article
Cite this article
Zhou, C., Wang, H. Thermodynamic Descriptions of the Co–Zr and Co–Fe–Zr Systems. J. Phase Equilib. Diffus. 42, 77–90 (2021). https://doi.org/10.1007/s11669-020-00859-5
Received:
Revised:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s11669-020-00859-5