Coupling of the phase-field and CALPHAD methods for predicting multicomponent, solid-state phase transformations

Philosophical Magazine

Volumn 88, Issue 11, 2008, Pages 1615-1637

  Kitashima, Tomonori ^a  

^a NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

Author keywords

Computer simulation; Phase equilibria; Solid state transformation

Indexed keywords

ALLOYS; CHEMICAL ELEMENTS; DATABASE SYSTEMS; FORECASTING; GIBBS FREE ENERGY; METALLIC COMPOUNDS; MICROSTRUCTURAL EVOLUTION; MICROSTRUCTURE; PHASE DIAGRAMS; PHASE EQUILIBRIA; PRECIPITATION (CHEMICAL); SEPARATION;

CALCULATION OF PHASE DIAGRAMS METHOD; CALPHAD; CALPHAD METHODS; CHEMICAL EQUILIBRIUMS; CHEMICAL FREE ENERGY; COMPUTER SIMULATION; CONSTITUENT PHASES; COUPLING METHODS; CURRENT STATUS; DEGREES OF FREEDOM; DISORDERED PHASE; DRIVING FORCES; FUTURE DIRECTIONS; GIBBS ENERGIES; GIBBS ENERGY FUNCTIONS; MICROSTRUCTURE DESIGN; MULTI COMPONENTS; MULTI-COMPONENT ALLOYING; MULTI-COMPONENT SYSTEMS; ORDERED PHASE; PHASE FIELDS; PHASE-FIELD METHODS; SOLID-STATE PHASE TRANSFORMATIONS; SOLID-STATE TRANSFORMATION;

PHASE SEPARATION;

EID: 48849094837     PISSN: 14786435     EISSN: 14786443     Source Type: Journal    
DOI: 10.1080/14786430802243857     Document Type: Review

References (85)

1. K. Harris and G.L. Erickson, US Patent 4,643,782 (1987).
2. T. Murakumo, T. Kobayashi, Y. Koizumi et al., Acta Mater. 52 (2004) p.3737.
3. J. Agren, J. Phys. Chem. Solids 43 (1982) p.385.
4. J. Agren, Acta Metall. 30 (1982) p.841.
5. J.O. Andersson and J. Agren, J. Appl. Phys. 72 (1992) p.1350.
6. J. Agren, ISIJ Int. 32 (1992) p.291.
7. B. Jonsson, Z. Metallkd. 85 (1994) p.502.
8. A. Engstrom and J. Agren, Z. Metallkd. 87 (1996) p.92.
9. A. Engstrom, L Hoglund and J. Agren, Metall. Mater. Trans. A 25 (1994) p.1127.
10. A. Engstrom, J.E. Morral and J. Agren, Acta Mater. 45 (1997) p.1189.
11. U. Grafe, B. Bottger, J. Tiaden et al., Scripta Mater. 42 (2000) p.1179.
12. U. Grafe, B. Bottger, J. Tiaden et al., Modell. Simul. Mater. Sci. Engng 8 (2000) p.871.
13. P.R. Cha, D.H. Yeon and J.K. Yoon, Acta Mater. 49 (2001) p.3295.
14. P.R. Cha, D.H. Yeon and J.K. Yoon, J. Cryst. Growth 274 (2005) p.281.
15. H. Kobayashi, M. Ode, S.G. Kim et al., Scripta Mater. 48 (2003) p.689.
16. U. Hecht, L. Granasy, T. Pustzai et al., Mater. Sci. Engng R 46 (2004) p.1.
17. R. Zhang, T. Jing, W. Jie et al., Acta Mater. 54 (2006) p.2235.
18. A. Jacot and M. Rappaz, Acta Mater. 50 (2002) p.1909.
19. R.S. Qin, E.R. Wallach and R.C. Thomson, J. Cryst. Growth 279 (2005) p.163.
20. B. Bottger, J. Eiken and I. Steinbach, Acta Mater. 54 (2006) p.2697.
21. I. Steinbach, B. Bottger, J. Eiken et al., J. Phase Equilibrium Diffusion 28 (2007) p.101.
22. J.W. Cahn and J.E. Hilliard, J. Chem. Phys. 28 (1958) p.258.
23. N. Saunders and A.P. Miodownik, CALPHAD - Calculation of Phase Diagrams: Comprehensive Guide, Elsevier Science, Oxford, 1998.
24. U.R. Kattner, JOM 49 (1997) p.14.
25. H.L. Lukas, J. Weiss and E.-T. Hening, Calphad 6 (1982) p.229.
26. M. Hillert and M. Jarl, Calphad 2 (1978) p.227.
27. I. Ansara, N. Dupin, H.L. Lukas et al., J. Alloys Compounds 247 (1997) p.20.
28. N. Dupin and B. Sundman, Scand. J. Metall. 30 (2001) p.184.
29. N. Dupin, I. Ansara and B. Sundman, Calphad 25 (2001) p.279.
30. N. Saunders, M. Fahrmann, C.J. Small, in Superalloys 2000 (TMS, 2000) p. 803.
31. R. Kikuchi, Phys. Rev. 81 (1951) p.988.
32. M. Enomoto and H. Harada, Metall. Trans. A 20 (1989) p.649.
33. C. Wolverton and A. Zunger, Phys. Rev. Lett. 75 (1995) p.3162.
34. Y. Saito and H. Harada, Mater. Sci. Engng. A 223 (1997) p.1.
35. W.A. Oates and H. Wenzl, Scripta Mater. 35 (1996) p.623.
36. W. Cao, Y.A. Chang, J. Zhu et al., Acta Mater. 53 (2005) p.331.
37. D. de Fontaine, Solid St. Phys. 47 (1994) p.33.
38. B. Sundman, B. Jansson and J.O. Andersson, Calphad 9 (1985) p.153.
39. J.O. Andersson, T. Helander, L. Hoglund et al., Calphad 26 (2002) p.273.
40. S.L. Chen, S. Daniel, F. Zhang et al., Calphad 26 (2002) p.175.
41. R.H. Davies, A.T. Dinsdale and J.A. Gisby, Calphad 26 (2002) p.229.
42. C.W. Bale, P. Chartrand, S.A. Degterov et al., Calphad 26 (2002) p.189.
43. T. Miyazaki, A. Takeuchi and T. Koyama, J. Mater. Sci. 27 (1992) p.2444.
44. T. Koyama, T. Miyazaki and A.M. Mebed, Metall. Trans. A 26 (1995) p.2617.
45. A. Takeuchi, T. Koyama, T. Moriya et al., J. Japan Inst. Metals 56 (1992) p.1242.
46. A. Takeuchi, T. Koyama and T. Miyazaki, J. Japan Inst. Metals 57 (1993) p.492.
47. T. Miyazaki, T. Koyama and T. Kozakai, Mater. Sci. Engng A 312 (2001) p.38.
48. T. Koyama and H. Onodera, J. Phase Equilibrium Diffusion 27 (2006) p.22.
49. T. Koyama and H. Onodera, Mater. Trans. 46 (2005) p.1187.
50. A.A. Wheeler, W.J. Boettinger and G.B. McFadden, Phys. Rev. A 45 (1992) p.7424.
51. A.A. Wheeler, W.J. Boettinger and G.B. McFadden, Phys. Rev. E 47 (1993) p.1893.
52. N.A. Ahmad, A.A. Wheeler, W.J. Boettinger et al., Phys. Rev. E 58 (1998) p.3436.
53. D.H. Yeon, P.R. Cha and J.K. Yoon, Scripta Mater. 45 (2001) p.661.
54. Q. Chen, N. Ma, K. Wu et al., Scropta Mater. 50 (2004) p.471.
55. S.G. Kim, W.T. Kim and T. Suzuki, Phys. Rev. E 60 (1999) p.7186.
56. M. Ode, S.G. Kim and T. Suzuki, ISIJ Int. 41 (2001) p.1076.
57. J.Z. Zhu, T. Wang, A.J. Ardell et al., Acta Mater. 52 (2004) p.2837.
58. M. Ode, T. Abe, H. Murakami et al., JOM 59 (2007) p.209.
59. J.Z. Zhu, Z.K. Liu, V. Vaithyanathan et al., Scripta Mater. 46 (2002) p.401.
60. Z.W. Lai, Phys. Rev. B 41 (1990) p.9239.
61. R.J. Braun, J.W. Cahn, G.B. Mcfadden et al., Acta Mater. 46 (1998) p.1.
62. J.Z. Zhu, T. Wang, S.H. Zhou et al., Acta Mater. 52 (2004) p.833.
63. C. Shen, Q. Chen, Y.H. Wen et al., Scripta Mater. 50 (2004) p.1029.
64. C. Shen, Q. Chen, Y.H. Wen et al., Scripta Mater. 50 (2004) p.1023.
65. T. Kitashima, J. Wang and H. Harada, J. Japan Inst. Metals 70 (2006) p.682.
66. T. Kitashima, J. Wang and H. Harada, Intermetallics 16 (2008) p.239.
67. D. Blavette and A. Bostel, Acta Metall. 32 (1984) p.811.
68. H. Murakami, H. Harada and H.K.D.H. Bhadeshia, Appl. Surf. Sci. 76-77 (1994) p.177.
69. S. Tin, A.C. Yeh, A.P. Ofori et al., in Superalloys 2004 (TMS, 2004) p. 735.
70. H. Murakami, P.J. Warren and H. Harada, in Materials Engineering in Turbines and Compressors, The Institute of Materials, London, 1995.
71. P.J. Warren, A. Cerezo and G.D.W. Smith, Mater. Sci. Engng A 250 (1998) p.88.
72. K. Wu, Y.A. Chang and Y. Wang, Scripta Mater. 50 (2004) p.1145.
73. MICRESS - the MICRostructure Evolution Simulation Software. Available online at: www.micress.de (accessed 10 April 2008).
74. N. Warnken, Simulation of Microstructure Formation during Solidification and Solution Heat Treatment of a Novel Single Crystal Superalloy (Shaker Verlag, 2007).
75. R. Kobayashi, Physica D 63 (1993) p.410.
76. I. Steinbach, F. Pezzolla, B. Nestler et al., Physica D 94 (1996) p.135.
77. J. Tiaden, B. Nestler, H.J. Diepers et al., Physica D 115 (1998) p.73.
78. J. Eiken, B. Bottger and I. Steinbach, Phys. Rev. E 73 (2006) p.066122.
79. I. Steinbach and M. Apel, Physica D 217 (2006) p.153.
80. C.E. Campbell, W.J. Boettinger and U.R. Kattner, Acta Mater. 50 (2002) p.775.
81. T. Wang, L.Q. Chen and Z.K. Liu, Metall. Mater. Trans. A 3 (2004) p.2313.
82. T. Kitashima, J. Wang, H. Harada et al., in Proceedings of the International Gas Turbine Congress 2007 Tokyo (Gas Turbine Society of Japan, 2007).
83. H. Saeki, Y. Fukuyama, T. Yokokawa et al., paper presented at Materials for Advanced Power Engineering 2002, Universite de Liege, Belgium, 2002.
84. T. Yokokawa, H. Saeki, Y. Fukuyama et al., in Superalloys 2004 (TMS, 2004).
85. H. Harada, T. Yokokawa, T. Odaka et al., Japan Patent 3,969,518 (2007).