journal article·2018-09

Thermodynamic re-assessment of binary Cr-Nb system down to 0 K

Yuxun Jiang, Setareh Zomorodpoosh, Irina Roslyakova, Lijun Zhang

Calphad· Volume 62
Publisher page

Abstract

Abstract Based on the recently proposed physically-based segmented model, the descriptions for Gibbs energy of pure Cr and Nb down to 0 K were first established. After that, a thermodynamic re-assessment of binary Cr-Nb system down to 0 K was then performed by taking into account all the experimental phase equilibria and thermodynamic properties. Especially, the experimental heat capacities of Cr2Nb at low temperatures ignored in previous assessments were utilized in the present assessment. The calculated phase equilibria and thermodynamic properties according to the presently obtained thermodynamic descriptions of binary Cr-Nb system agree well with most of the experimental data, and show better agreement than the previous assessments.
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Research context

OpenAlex topics: Intermetallics and Advanced Alloy Properties · High Temperature Alloys and Creep · Metallurgical and Alloy Processes

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References (76)

Show source-provided references
1. A thermodynamic evaluation of the C-Cr-Nb system10.1016/j.calphad.2016.02.004 ↗
2. The constitution of the chromium-niobium-molybdenum system10.1016/0022-5088(61)90042-X ↗
3. Microstructure and mechanical properties of Laves-phase alloys based on Cr2 Nb10.1016/0921-5093(91)90361-P ↗
4. An experimental evaluation of the phase relationships and solubilities in the Nb-Cr system10.1016/0921-5093(92)90420-6 ↗
5. Elastic constants of the C15 Laves phase compound NbCr210.1016/0956-716X(95)00357-2 ↗
6. Effects of alloy additions on the microstructure and properties of Cr-Cr2 Nb alloys10.1016/0921-5093(96)10197-0 ↗
7. The fracture resistance and crack-tip micromechanics of in-situ intermetallic composites10.1007/BF03223078 ↗
8. Experimental determination of the thermodynamic properties of the Laves phases in the Cr-Fe-Nb system10.1016/j.tca.2015.12.001 ↗
9. Thermodynamic description of the quaternary Al-Si-Mg-Sc system and its application to the design of novel Sc-additional A356 alloys10.1016/j.matdes.2016.12.034 ↗
10. Thermodynamic optimisation of the Nb-Cr system10.1016/0364-5916(93)90001-R ↗
11. Re-modeling of laves phases in the Cr-Nb and Cr-ta systems using first-principles results10.1016/j.calphad.2008.04.006 ↗
12. A new theoretical study of the Cr-Nb system10.1007/s11669-014-0313-y ↗
13. Thermodynamic modeling of Cr-Nb and Zr-Cr with extension to the ternary Zr-Nb-Cr system10.1016/j.calphad.2015.06.002 ↗
14. The absence of a stable hexagonal laves phase modification (nbcr2) in the nb-cr system10.1016/j.scriptamat.2009.11.002 ↗
15. Thermodynamic properties of TaCr2 and NbCr210.1039/TF9706601065 ↗
16. Group 1: heat capacity models for crystalline phases from 0 K to 6000 K
17. Modeling of thermodynamic properties for Bcc, Fcc, Liquid, and amorphous iron10.1007/s11669-001-0027-9 ↗
18. Modeling of Gibbs energies of pure elements down to 0 K using segmented regression10.1016/j.calphad.2016.09.001 ↗
19. SGTE data for pure elements10.1016/0364-5916(91)90030-N ↗
20. On the third-generation Calphad databases: an updated description of Mn10.1002/pssb.201552203 ↗
21. New description of metastable hcp phase for unaries Fe and Mn: coupling between first-principles calculations and CALPHAD modeling10.1002/pssb.201600096 ↗
22. Z. Li, S. Bigdeli, H. Mao, Q. Chen, M. Selleby, Thermodynamic evaluation of pure Co for the third generation of thermodynamic databases, physica status solidi (b) 254 (2).10.1002/pssb.201600231 ↗
23. I. Roslyakova, S. Zomorodpoosh, L. Zhang, B. Sundman, H. Dette, I. Steinbach, The third generation CALPHAD databases: segmented model for pure Al, Cr, Ge, Ir, Mo, Nb, Re, W, Fe, Ni and Ta (poster), Conference CALPHAD 2016, Awaji Island, Japan, 2016.
24. I. Roslyakova, S. Zomorodpoosh, A. Obaied, B. Bocklund, R. Otis, L. Zhang, Third generation CALPHAD databases: accurate description of stable phases of pure Al, Cr, Fe, Ni, Nb, Ta, W, Ir, Mo, Ge, Bi, Te, Cu, Mg, extension of liquid and metastable phases down to 0 K (In preparation).
25. A thermodynamic description of data for pure pb from 0k using the expanded einstein model for the solid and the two state model for the liquid phase10.1016/j.calphad.2017.12.008 ↗
26. A new thermodynamic description of stable cr-carbides for the third generation of thermodynamic database10.1016/j.calphad.2017.09.002 ↗
27. An improved thermodynamic modeling of the Fe-Cr system down to zero kelvin coupled with key experiments10.1016/j.calphad.2011.05.002 ↗
28. Magnetic phase diagram of the fe-ni system10.1016/j.actamat.2010.09.055 ↗
29. Thermodynamics of stable and metastable structures in Fe-C system10.1016/j.calphad.2014.03.004 ↗
30. W. Xiong, Thermodynamic and kinetic investigation of the fe-cr-ni system driven by engineering applications, Ph.D. Thesis, KTH Royal Institute of Technology (2012).
31. I. Roslyakova, L. Zhang, S. Zomorodpoosh, B. Sundman, H. Dette, I. Steinbach, The third generation CALPHAD databases: Mo-Nb-Ta phase diagram with the segmented model (oral talk), Conference CALPHAD 2016, Awaji Island, Japan, 2016.
32. I. Roslyakova, S. Zomorodpoosh, R. Otis, L. Zhang, I. Steinbach, New generation CALPHAD databases: accurate approximation of the Debye model based on segmented regression and linear combination of Einstein functions (Poster, CALPHAD Conference 2017 in Saint Malo, France).
33. E. Rudy, Ternary phase equilibria in transition metal-boron-carbon-silicon systems. part 5. compendium of phase diagram data, Tech. rep., AEROJET-GENERAL CORP SACRAMENTO CA MATERIALS RESEARCH LAB (1969).
34. V.P. Elyutin, V.F. Funke, Some data on the equilibrium diagram for the chromium-niobium system, Izvest. Akad. Nauk S.S.S.R. Otdel. Tekh. Nauk 3.
35. Phase diagram of the chromium-niobium system
36. Polymorphic transformation in NbCr2
37. An investigation of the niobium-molybdenum-chromium system
38. The liquid surface of the Cr-Al-Nb system and re-investigation of the Cr-Nb and Al-Cr phase diagrams10.1016/j.jallcom.2014.02.045 ↗
39. The Cr-Nb(chromium-niobium) system10.1007/BF02867811 ↗
40. Total-energy study of electronic structure and mechanical behavior of C15 Laves phase compounds: NbCr2 and HfV210.1103/PhysRevB.54.12753 ↗
41. Phase stability and elastic moduli of Cr2 Nb by first-principles calculations10.1016/S0966-9795(98)00005-3 ↗
42. Theoretical study of structural, electronic, and thermal properties of Cr2(Zr,Nb) Laves alloys10.1016/j.actamat.2004.11.039 ↗
43. First-principles studies of ternary site occupancy in the C15 NbCr2 Laves phase10.1016/j.actamat.2006.03.039 ↗
44. Grimvall · 1999
45. A model for alloying in ferromagnetic metals10.1016/0364-5916(78)90011-1 ↗
46. An improved magnetic model for thermodynamic modeling10.1016/j.calphad.2012.07.002 ↗
47. Algebraic representation of thermodynamic properties and the classification of solutions10.1021/ie50458a036 ↗
48. Core Team · 2018
49. Untersuchungen fiber die spezifischen Warmen bei tiefen temperaturen
50. The exact measurement of the specific heats of metals at high temperatures: V. Specific heats and thermal hysteresis of beryllium10.1002/recl.19340530511 ↗
51. The heat capacities of chromium, chromic oxide, chromous chloride and chromic chloride at low temperatures10.1021/ja01282a019 ↗
52. High temperature calorimetry: II. Atomic heats of chromium, manganese and cobalt between 0 and 800 °C10.1139/cjr50a-004 ↗
53. The specific heats of several metals between 1.8 and 4.2 K10.1103/PhysRev.87.582 ↗
54. The heat capacities of chromium and nickel10.1080/14786435608238169 ↗
55. Die Messung der spezifischen Wrme von Metallen bei hohen Tempreraturen
56. H. Martin, Ph.D. Thesis, Univ.of Koeln, (1958).
57. An anomaly in the heat capacity of chromium at 38.5 °C10.1080/14786436008243302 ↗
58. Ergebnisse der Tieftemperaturforsdiung XXXVIII: atom- und Elektronenwrme des Chroms zwischen 14k und 273k10.1515/zna-1962-0611 ↗
59. The standard specific heats, entropies, and enthalpies of silicon and chromium and its alloys
60. Notizen: die Atomwärme von Titan, Vanadin und Chrom im Bereich hoher Temperaturen10.1515/zna-1965-0814 ↗
61. Heat-capacity studies of chromium-rich antiferromagnetic chromium-iron alloys10.1103/PhysRevB.19.2975 ↗
62. Y. Touloukian, E. Buyco, Thermophysical properties of matter: The TPRC Data Series. Specific Heat - Metallic Elements and Alloys, Tech. rep., Thermophysical Properties Research Center (TPRC), Perdue University (1971).
63. The exact measurement of the specific heats of solid substances at high temperatures. vi. the specific heats of vanadium, niobium, tantalum and molybdenum10.1002/recl.19340530802 ↗
64. The superconducting and normal heat capacities of niobium10.1103/PhysRev.92.52 ↗
65. Heat capacity in the normal and superconducting states and critical field of niobium10.1103/PhysRev.109.788 ↗
66. I.B. Fieldhouse, J.C. Hedge, J.I. Lang, MEASUREMENTS OF THERMAL PROPERTIES. Period covered July 1, 1957 to March 31, 1958, Tech. Rep. WADC-TR-58-274; AD-206892, Illinois Institute of Technology, Chicago. Armour Research Foundation (May 1958).
67. The atomic and electronic heat of vanadium and niobium between 10 and 273 K10.1515/zna-1960-0808 ↗
68. The specific heat of metals between 1200 °K and 2400 °K10.1071/PH630047 ↗
69. Superconducting and normal specific heats of a single crystal of niobium10.1103/PhysRev.134.A1322 ↗
70. J. Conway, R. Hein, Advances in thermophysical properties at extreme temperatures and pressures, in: Proceedings of the 3rd Symposium of Thermophysical Properties, ASME, Lafayette, Indiana, 1965, pp. 131–137.
71. Thermodynamic models and data for pure elements and other end members of solutions10.1016/0364-5916(96)00003-X ↗
72. The Thermo-Calc databank system10.1016/0364-5916(85)90021-5 ↗
73. Experimental investigation and thermodynamic description of the Co-Si system10.1016/j.calphad.2006.06.001 ↗
74. Thermodynamic properties of the Al-Fe-Ni system acquired via a hybrid approach combining calorimetry, first-principles and CALPHAD10.1016/j.actamat.2009.07.031 ↗
75. First-principles calculations and CALPHAD modeling of thermodynamics10.1007/s11669-009-9570-6 ↗
76. Thermodynamic modelling of the Cr-Nb-Sn system10.1016/j.calphad.2017.02.003 ↗