Thermodynamic modelling of the Cr-Nb-Sn system
Source abstract
Abstract
Abstract The Cr-Nb-Sn system has been studied experimentally, by first principles calculation and finally modeled with the Calphad method. The experimental study has been carried out on the Cr-Sn binary system to determine the solubility of Sn in the A2 (Cr) solid solution, but also in the Cr-Nb-Sn ternary system in order to determine phase equilibria of the isothermal section at 800 °C and 1100 °C. Besides, the formation enthalpies of all the ordered configurations of the C15 and A15 phases and the stoichiometric Nb6Sn5 and NbSn2 phases have been calculated using the Density Functional Theory (DFT). The mixing enthalpies of the A2 binary solid solutions have been estimated using the Special Quasirandom Structures (SQS). All these new experimental and calculated data have been taken into account for a new thermodynamic assessment of the three binary and the ternary systems.
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Research context
OpenAlex topics: Intermetallics and Advanced Alloy Properties · Electronic Packaging and Soldering Technologies · Metallurgical and Alloy Processes
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References (54)
Show source-provided references
1. Thermodynamic modeling of Cr–Nb and Zr–Cr with extension to the ternary Zr–Nb–Cr system10.1016/j.calphad.2015.06.002 ↗
2. A thermodynamic evaluation of the C–Cr–Nb system10.1016/j.calphad.2016.02.004 ↗
3. Study of the Cr-Nb system10.1007/s11669-014-0313-y ↗
4. Reassessment of the Nb-Sn system10.1361/1054971023604071 ↗
5. Thermodynamic assessment of the Cr–Sn binary system10.1016/S0364-5916(01)00030-X ↗
6. Polymorphic transformation in NbCr2
7. The absence of a stable hexagonal Laves phase modification (NbCr2) in the Nb–Cr system10.1016/j.scriptamat.2009.11.002 ↗
8. The liquidus 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 ↗
9. An experimental evaluation of the phase relationships and solubilities in the Nb-Cr system10.1016/0921-5093(92)90420-6 ↗
10. M.I. Zakharova, D.A. Proskoshin, An investigation of the Niobium-Molybdenum-Chromium System, Izv Akad Nauk SSSR Otd Tekh Nauk Met. Topl. 4, 1961, pp.59–67.
11. V.P. Elyutin, V.F. Funke, The equilibrium diagram of the chromium–niobium system, Izv Akad Nauk USSR Otd Tekh Nauk., 1956, 68–76.
12. The constitution of the chromium-niobium-molybdenum system10.1016/0022-5088(61)90042-X ↗
13. Thermodynamic properties of TaCr2 and NbCr210.1039/TF9706601065 ↗
14. Total-energy study of electronic structure and mechanical behavior of C15 Laves phase compounds: NbCr2 and HfV210.1103/PhysRevB.54.12753 ↗
15. Theoretical study of structural, electronic, and thermal properties of Cr2(Zr,Nb) Laves alloys10.1016/j.actamat.2004.11.039 ↗
16. First-principles studies of ternary site occupancy in the C15 NbCr2 Laves phase10.1016/j.actamat.2006.03.039 ↗
17. Re-modeling of Laves phases in the Cr–Nb and Cr–Ta systems using first-principles results10.1016/j.calphad.2008.04.006 ↗
18. Experimental determination of the thermodynamic properties of the Laves phases in the Cr–Fe–Nb system, Thermochim
19. Thermodynamic optimisation of the Nb–Cr system10.1016/0364-5916(93)90001-R ↗
20. Uber den Aufbau des Systems Uran-Niob-Chrom10.1016/0022-5088(63)90060-2 ↗
21. V.N. Svechnikov, G.F. Kobzenko, Dopov Akad Nauk Ukr RSR A., 1964, pp.492–498.
22. P. Franke, D. Neuschütz, Cr–Nb (Chromium–Niobium), Springer Mater. – Landolt-Börnstein Database. IV/19B2, 2004, pp.1–3.10.1007/10757405_85 ↗
23. The constitution diagram of the chromium–niobium system
24. Liquid-solid phase distribution studies in the systems iron-lead, cobalt-lead, chromium-tin and nickel-silver
25. Solubility of several first- long-period transition elements in liquid tin
26. Investigation of thermodynamics of binary systems with extremely strong tendency to demixing
27. Anomalous thermal expansion of Cr-Rich Cr–Sn alloys10.1143/JPSJ.33.1485 ↗
28. Magnetic phase diagrams for the dilute Cr‐Sn and Cr‐Sb systems10.1063/1.335205 ↗
29. On the solubility of tin in chromium10.1080/13642819208220122 ↗
30. Chromium and manganese alloys10.1002/zaac.19080590136 ↗
31. The Cr-Sn system10.1007/BF02890556 ↗
32. Sudavtsova · Rasplavy · 1990 · 88
33. Y.O. Esin, M.O. Petrushevskii, V.M. Baev, P.V. Gel’d, Zhur Fiz Khim. 53, 1970, 780.
34. Peculiarities of the constitution phase diagram of the system niobium-tin, Fiz Met
35. J.P. Charlesworth, I. Macphail, P.E. Madsen, Experimental work on the niobium-tin constitution diagram and related studies, J. Mater. Sci. 5 (n.d.) 580–603.10.1007/BF00554367 ↗
36. Phase equilibrium diagram of niobium-tin system
37. Thermodynamics of the incongruently subliming Niobium-Tin system
38. RCA
39. Standard enthalpies of formation of some 3d, 4d and 5d transition-metal stannides by direct synthesis calorimetry10.1016/S0040-6031(97)00467-X ↗
40. G.A. Malets, Vestn. Akad Navuk B SSR Ser Khim Navuk. 1, 1975, 126.
41. Thermodynamic assessment of the Nb-Sn system10.1361/105497198770341978 ↗
42. Fowler · NASA Rep. · 1963 · 17508
43. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
44. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
45. ZenGen, a tool to generate ordered configurations for systematic first-principles calculations: the Cr–Mo–Ni–Re system as a case study10.1016/j.calphad.2015.09.005 ↗
46. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
47. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
48. Special quasirandom structures10.1103/PhysRevLett.65.353 ↗
49. First-principles study of binary bcc alloys using special quasirandom structures10.1103/PhysRevB.69.214202 ↗
50. Compendium of phase diagram data
51. Phase equilibria and crystallography for the niobium-tin system10.1016/0022-5088(64)90018-9 ↗
52. J.A. Misencik, Master’s Thesis, Massachussets Institute of Technology, Cambridge, 1959.
53. T.B. Massalski, J.L. Murray, L.H. Bennett, H. Baker, Binary Alloy Phase Diagrams, Am. Soc. Met. Res. Met. Park OH, 1986.
54. Phase stability and elastic moduli of Cr2Nb by first-principles calculations10.1016/S0966-9795(98)00005-3 ↗