Using the PARROT module of Thermo-Calc with the Cr–Ni system as example
Source abstract
Abstract
Abstract The Cr–Ni system is a relatively simple system with high technological importance. The system has been modeled thermodynamically previously, but there is no detailed description of its assessment available. In addition the enthalpy of mixing of the liquid has been measured a few times with quite different results since the previous assessments. In this paper a detailed thermodynamic assessment of the Cr–Ni system is presented. The system is described very satisfactorily with a small number of parameters. In contrast to most assessment papers also the assessment procedure is described in detail, including the optimization of the parameters using the PARROT module in Thermo-Calc. Extensive material is provided as supplementary material. The hope is that this can be of some use for young researchers just starting with Calphad type modeling.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Intermetallics and Advanced Alloy Properties · Metallurgical and Alloy Processes · High Temperature Alloys and Creep
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (56)
Show source-provided references
1. Lukas · 2007
2. Demonstration of the use of BINGSS with the Mg–Zn system as example10.1007/BF02665766 ↗
3. Assessment techniques, database design and software facilities for thermodynamics and diffusion10.1016/j.calphad.2006.02.007 ↗
4. Thermo-Calc & dictra, computational tools for materials science10.1016/S0364-5916(02)00037-8 ↗
5. Überstruktur und K-Zustand im system nickel-chrom
6. Lattice parameter studies of structure changes of Ni-Cr Alloys in the region of Ni2Cr10.1016/0025-5416(82)90119-7 ↗
7. X-Ray studies on the nickel-chromium system
8. Neutron diffraction study of atom ordering in alloys nickel-chromium
9. The Cr–Ni (chromium-nickel) system10.1007/BF02867812 ↗
10. On the stability of Cr carbides10.1016/0364-5916(92)90002-F ↗
11. An optimized calculation of phase diagram and thermodynamic properties of the Ni–Cr system10.1016/0364-5916(93)90031-6 ↗
12. Thermodynamic mixing functions and phase equilibria in the nickel-chromium system by high-temperature knudsen cell mass spectrometry10.1007/BF02664664 ↗
13. Mixing enthalpy measurements in the liquid ternary system iron-nickel-chromium and its binaries10.1002/srin.199801599 ↗
14. Thermodynamic properties of melts of Ni-Cr(Mo, W) Binary systems
15. Enthalpy of mixing of liquid Al–Cr and Cr–Ni Alloys
16. Stability and ordering properties of fcc alloys based on Rh, Ir, Pd, and Pt10.1103/PhysRevB.74.064202 ↗
17. 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.
18. Computation of Ni–Cr phase diagram via a combined first-principles quantum mechanical and Calphad approach10.1007/BF02586124 ↗
19. J.-C. Zhao (Ed.), Methods for Phase Diagram Determination, Elsevier, 2007.
20. O. Kubaschewski, C.B. Alcock, P.J. Spencer, Materials Thermochemistry, Pergamon, Oxford, U.K., 6 edn., 1993.
21. H. Okamoto, Phase Diagrams for Binary Alloys, 2nd Ed., ASM International, 2010.
22. Landolt-Börnstein Tables, IV/5 and IV/12, Springer Verlag, 1991–1998 and 2006–2013.
23. G. Effenberg, Ternary Alloys, VCH Verlagsgesellschaft, Weinheim, Germany, 1988–2001.
24. Landolt-Börnstein Tables, IV/11, Springer Verlag, 2004–2010.
25. MSI-Web, 〈http://www.msiport.com〉, 2016.
26. Papyrus, Thermdoc/Papyrus Bibliographic Database, 〈http://www.sgte.org〉, 2016.
27. Springer-Materials, 〈http://www.springermaterials.com〉, 2016.
28. A.T. Dinsdale, unpublished work, 1986.
29. W. of Science, 〈http://apps.webofknowledge.com〉, 2016.
30. SciFinder, 〈http://scifinder.cas.org〉, 2016.
31. Scopus, 〈http://www.elsevier.com/solutions/scopus〉, 2016.
32. Engineering-Village, 〈http://apps.engineeringvillage.com〉2016.
33. Some alloys for use at high temperatures IV: the constitution of the alloys of nickel, chromium and iron
34. Characteristics of the equilibrium diagram and processes of solution and precipitation in the Cr–Ni system
35. The constitution of nickel-rich alloys of the nickel–chromium-titanium system
36. Activities and phase boundaries in the Cr–Ni system using a solid electrolyte technique10.1007/BF02642800 ↗
37. Adiabatic high-temperature calorimeter for the measurement of heats of alloying10.1039/tf9635901279 ↗
38. Electron optic determination of solid phase boundaries in Ni–Cr system10.1179/mst.1988.4.6.560 ↗
39. An experimental study on the ordered alloy Ni2Cr10.2320/matertrans1960.10.365 ↗
40. Enthalpies of formation of solid Ni–Cr and Ni–V alloys by direct reaction calorimetry10.1016/0925-8388(94)06008-8 ↗
41. The thermodynamics of the system chromium-nickel
42. Enthalpies of mixing of molten alloys of the nickel-chromium system
43. Thermodynamic properties of solid alloys of chromium with nickel and iron10.1007/BF02643269 ↗
44. On the thermochemistry of solid nickel–chromium alloys10.1007/BF02669393 ↗
45. Activities in the chromium-nickel system10.1021/j150566a023 ↗
46. Equilibrium vapor compositions and activities of components for Fe–Cr–Ni alloys at 1600° C
47. Thermodynamic study of liquid ni-cr alloys equilibrated with Cr2O3 by EMF method10.2320/matertrans1960.28.558 ↗
48. Activity-composition relationships in liquid nickel–chromium alloys
49. SGTE data for pure elements10.1016/0364-5916(91)90030-N ↗
50. A.T. Dinsdale, SGTE Unary Database, Version 5.0, 2009.
51. Thermodynamic evaluation of the Cr–Ni–C system10.1007/BF02646072 ↗
52. Activities in dilute solutions of chromium and iron in nickel at 1600°C by mass spectroscopy10.1007/BF02680583 ↗
53. Thermodynamic study on liquid binary alloys10.5702/massspec.41.343 ↗
54. First-principles modeling of energetic and mechanical properties of Ni–Cr, Ni–Re and Cr–Re random alloys10.1016/j.commatsci.2016.01.020 ↗
55. Phase stability of ternary fcc and bcc Fe–Cr–Ni alloys10.1103/PhysRevB.91.024108 ↗
56. Lattice instabilities in metallic elements10.1103/RevModPhys.84.945 ↗