Critical evaluation and thermodynamic optimization of the Al–Ce, Al–Y, Al–Sc and Mg–Sc binary systems
Source abstract
Abstract
Abstract New critical evaluations and optimizations of the Al–Ce, Al–Y, Al–Sc and Mg–Sc systems are presented. The Modified Quasichemical Model is used for the liquid phases which exhibit a high degree of short-range ordering. A number of solid solutions in the binary systems are modelled using the Compound Energy Formalism. All available and reliable experimental data such as enthalpies of mixing in liquid alloys, heats of formation of intermetallic phases, phase diagrams, etc. are reproduced within experimental error limits. It is shown that the Modified Quasichemical Model reproduces the partial enthalpy of mixing data in the liquid alloys better than the Bragg–Williams random mixing model which does not take short-range ordering into account.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Thermodynamic and Structural Properties of Metals and Alloys · Metallurgical and Alloy Processes · nanoparticles nucleation surface interactions
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (82)
Show source-provided references
1. FactSage Thermochemical Software and Databases10.1016/S0364-5916(02)00035-4 ↗
2. C. Bale, A. Pelton, W. Thompson, Factsage thermochemical software and databases, http://www.crct.polymtl.ca, 2008
3. Cacciamani · 1998 · vol. 2 · 20
4. Thermodynamic modeling of some aluminum-rare earth binary systems: Al–La, Al–Ce and Al–Nd10.1016/S0364-5916(02)00009-3 ↗
5. Reassessment of Al–Ce and Al–Nd binary systems supported by critical experiments and first-principles energy calculations10.1007/s11661-005-0001-y ↗
6. Lukas · 1998 · vol. 2 · 99
7. A thermodynamic optimization of the Al–Y system10.1016/0022-5088(89)90378-0 ↗
8. Thermodynamic calculations in the Y–Al–C system10.1016/0925-8388(94)06028-2 ↗
9. A thermodynamic reassessment of the Al–Y system10.1016/j.calphad.2006.01.001 ↗
10. Computational thermodynamic model for the Mg–Al–Y System10.1361/154770306X109782 ↗
11. The Al–Sc (aluminum–scandium) system10.1361/105497198770342120 ↗
12. Thermodynamic measurements and assessment of the Al–Sc system10.1016/S0966-9795(98)00022-3 ↗
13. Mg-rich phase equilibria and thermodynamic assessment of the Mg–Sc system
14. Modeling short-range-ordering in solutions10.3139/146.101554 ↗
15. SGTE data for pure elements10.1016/0364-5916(91)90030-N ↗
16. Critical evaluation and thermodynamic optimization of the binary systems in the Mg-Ce-Mn-Y system10.1007/s11669-007-9095-9 ↗
17. The modified quasichemical model I — Binary solutions10.1007/s11663-000-0103-2 ↗
18. Thermodynamic database development of the Mg–Ce–Mn–Y system for Mg alloy design10.1007/s11661-007-9137-2 ↗
19. Thermodynamic evaluation and optimization of the Ca–Si system10.1361/154770306X109755 ↗
20. Thermodynamic evaluation and optimization of the LiCl–NaCl–KCl–RbCl–CsCl–MgCl2–CaCl2 system using the modified quasichemical model
21. Thermodynamic evaluation and optimization of the LiF–NaF–KF–MgF2–CaF2 system using the modified quasichemical model10.1007/s11661-001-0228-1 ↗
22. Thermodynamic evaluation and optimization of the Li, Na, K, Mg, Ca//F, Cl reciprocal system using the modified quasi-chemical model10.1007/s11661-001-0231-6 ↗
23. S. Decterov, I.-H. Jung, E. Jak, Y.-B. Kang, P. Hayes, A. Pelton, Thermodynamic modelling of the Al2O3–CaO–CoO–CrO–Cr2O3–FeO–Fe2O3–MgO–MnO–NiO–SiO2–S system and application in ferrous process metallurgy, in: C. Pistorius (Ed.), VII International Conference on Molten Slags, Fluxes and Salts, The South African Institute of Mining and Metallurgy, Johannesburg, Rep. of South Africa, 2004, pp. 839–850
24. Thermodynamic modeling of the Ni–S system10.3139/146.018005 ↗
25. Critical thermodynamic assessment and modeling of the Fe–Ni–S system10.1007/s11663-004-0084-7 ↗
26. Thermodynamic modeling of the Fe–S system10.1361/15477030522455 ↗
27. The compound energy formalism10.1016/S0925-8388(00)01481-X ↗
28. Lukas · 1998 · vol. 2 · 48
29. Phase equilibria in the rare earth metals(R)-rich regions of the R–Al ssytems (R = La,Ce,Pr,Nd)
30. The Al–Ce (aluminum–cerium) system10.1007/BF02883162 ↗
31. Enthalpies of formation of liquid cerium–aluminum alloys
32. Thermodynamic properties of aluminum–cerium alloys
33. Thermodynamic properties of aluminum-rich Ce-Al alloys
34. The β to γ transformation in cerium — a twenty year study10.1016/1359-6462(96)00035-8 ↗
35. Solid solubility of rare earth metals in aluminum
36. Y 5Al3; A new yttrium–aluminum compound10.1007/BF01086501 ↗
37. Experimental investigation of the Al–Y phase diagram10.1016/j.jallcom.2005.06.078 ↗
38. Phase equilibria in the yttrium–aluminum system
39. R. Snyder, Yttrium–aluminum alloy studies, Ph.D. thesis, Iowa State University, Ames, IA, 1960
40. Phase composition and thermodynamic properties of compounds in the Y–Al system
41. Yamshchikov · Russ. J. Phys. Chem. · 1979 · 53 · 657
42. Standard molar enthalpies of formation of PdAl, PtAl, ScAl1.78, Y Al2 and LaAl210.1016/0925-8388(91)90039-X ↗
43. Standard enthalpies of formation of 4d aluminides by direct synthesis calorimetry10.1016/0925-8388(93)90280-Z ↗
44. Enthalpies of formation for the Al–Y and Al–Y–Ni intermetallic compounds10.1016/S0040-6031(97)00134-2 ↗
45. Thermodynamics of the YAl–Y Al2 system10.1016/S0966-9795(99)00115-6 ↗
46. Enthalpies of formation of molten binary aluminum alloys with yttrium, zirconium, vanadium and chromium
47. Enthalpies of formation of liquid yttrium–aluminum alloys
48. The determination of the partial enthalpies of mixing of aluminum-rich alloy melts by solution calorimetry
49. Standard enthalpies of formation of some Mn–Y and Mn–Sc intermetallic compounds10.1016/S0925-8388(01)00892-1 ↗
50. First-principles calculation of lattice stability of C15–M2R and their hypotherical C15 variants (M = Al, Co, Ni; R = Ca, Ce, Nd, Y)10.1016/j.calphad.2005.12.005 ↗
51. Point defect structures of Y Al2 and ZrCo2 Laves phase compounds by first-principles calculations10.1016/j.intermet.2006.02.004 ↗
52. The Al–Sc (aluminum–scandium) system10.1007/BF02882170 ↗
53. Al–Sc (aluminum–scandium)10.1007/BF02645081 ↗
54. Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys10.1016/j.calphad.2005.01.002 ↗
55. L. Willey, unpublished research at ALCOA, cited in [11], 1970
56. Solid solubility and residual resistivity of scandium in aluminum10.1016/0022-5088(79)90211-X ↗
57. Nature of the reaction of scandium with aluminum in the aluminum-rich phase of the aluminum–scandium system
58. Kinetics of precipitation in Al–Sc alloys and low tempearture solid solubility of scandium in aluminum studied by electrical resistivity measurements10.1016/0921-5093(93)90401-Y ↗
59. Ab initio lattice stability in comparison with CALPHAD lattice stability10.1016/j.calphad.2004.05.002 ↗
60. Enthalpies of formation of aluminides in the aluminum–scandium system
61. The standard enthalpies of formation of some 3d transition metal aluminides by high-temperature direct synthesis calorimetry
62. Thermodynamic properties of liquid binary melts of the aluminum–scandium, aluminum–vanadium, aluminum–titanium systems
63. The enthalpies of formation of liquid aluminum–scandium
64. Dissolution enthalpies of 3d transition metals in liquid aluminum10.1006/jcht.1994.1144 ↗
65. The Mg–Sc (magnesium–scandium) system10.1007/BF02869876 ↗
66. Magnesio-thermic reduction of scandium flouride
67. A study of the scandium-magnesium system from 0 to 60 at.% scandium10.1016/0022-5088(69)90168-4 ↗
68. Z. Sviderskaya, N. Nikitina, Metalloved. Isvet. Metal. Splavy, Nauka, Moscow, 1972, Ch. Change in Scandium Solubility in Solid Magnesium as a Function of Temperature, pp. 61–65
69. P. Vostrý, I. Stulíková, B. Smola, J. Kiehn, F. von Buch, B. Mordike, Application of electrical resistivity measurements in the development of new Mg-base alloys, in: Proc. of the First Israeli Intern. Conf. on Magnesium Sci. & Technol., 1997, cited in [13]
70. Experimental investigations and thermodynamic calculation in the Al–Mg–Sc system
71. L. Franke, A study of the bonding in magnesium–scandium solid solutions, Ph.D. thesis, Kansas State University, Manhattan, KS, 1970
72. Calculation of thermodynamic properties of Mg–RE (RE = Sc, Y, Pr, Nd, Gd, Tb, Dy, Ho and Er) alloys by an analytic modified embedded atom method10.1088/0022-3727/33/6/320 ↗
73. Heats of formation of aluminum–cerium intermetallic compounds10.1007/BF02669879 ↗
74. Contributions to the systematic affinity principle. XXVII. The heats of formation of intermetallic compounds. IV. cerium alloys10.1002/zaac.19241340103 ↗
75. Molar enthalpies of formation of lanthanide — aluminum (LnAl2) compounds10.1016/0021-9614(85)90040-0 ↗
76. Determination of the enthalpies of formation of intermetallic compounds of aluminum with cerium, erbium and gadolinium10.1016/0022-5088(87)90013-0 ↗
77. Thermodynamic properties of cerium–aluminum intermetallic compounds
78. Thermodynamic properties of cerium alloys with low-melting metals
79. The binary systems cerium–aluminum and praseodymium–aluminum
80. Thermodynamic properties of aluminum-rich yttrium–aluminum alloys
81. Phase diagrams of the binary systems of aluminum with lanthanum, cerium, praseodymium, neodymium, samarium, europium, ytterbium, scandium, and yttrium
82. Phase diagrams and properties of alloys in the system aluminum–scandium