Phase diagram calculations in teaching, research, and industry

Metallurgical and Materials Transactions B: Process Metallurgy and Materials Processing Science

Volumn 37, Issue 1, 2006, Pages 7-39

  Chang, Y Austin ^a,b,c,d,e  

^a Wisconsin Electric Machines and Power Electronics Consortium   (United States)

^b NATIONAL ACADEMY OF ENGINEERING   (United States)

^c INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

^d ASM   (United States)

^e Minerals Metals and Materials Society (TMS)   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SOFTWARE; ROBUSTNESS (CONTROL SYSTEMS); THERMODYNAMICS;

CALPHAD APPROACH; COMPUTATIONAL THERMODYNAMICS;

PHASE DIAGRAMS;

EID: 33644698161     PISSN: 10735615     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11663-006-0083-y     Document Type: Article

References (132)

1. T.B. Massalski: Metall. Trans. B, 1989, vol. 20B, pp. 445-73.
2. Y.A. Chang and W.A. Oates: "Our Experience in Teaching Thermodynamics at the University of Wisconsin, Madison," 2003, www.tms.org/pubs/journals/JOM/0312/Chang/Chang-0312.html
3. E. Rudy: "Ternary Phase Equilibria in Transition Metal-Boron-Carbon-Silicon Systems, Part IV. Compendium of Phase Diagram Data," AFML-TR-65-2, Wright-Patterson AFB, OH, 1969.
4. A.T. Dinsdale: CALPHAD, 1991, vol. 15, pp. 317-425.
5. P. Villars and L.A. Calvert: Pearson's Handbook of Crystallographic Data for Intermetallic Phases, ASM, Metals Park, OH, 1985, vol. 3, pp. 2748, 3250.
6. O. Redlich and A.T. Kister: Ind. Eng. Chem., 1948, vol. 40, pp. 345-48.
7. R.R. Hultgren, P.D. Desai, D.T. Hawkins, M. Glesier, and K.K. Kelley: Selected Values of Thermodynamic Properties of Binary Alloys, ASM, Metals Park, OH, 1973.
8. T.B. Massalski, J.L. Murray, L.H. Bennett, and H. Baker: Binary Phase Diagrams, ASM, Metals Park, OH, 1986.
9. Y.-Y. Chuang, K.-C. Hsieh, and Y.A. Chang: Metall. Trans. B, 1985, vol. 16B, pp. 277-85.
10. Y.-Y. Chuang and Y.A. Chang: Z. Metallkd., 1986, vol. 77, 460-66.
11. J.J. Van Laar: Z. Phys. Chem., 1908, vol. 63, pp. 216-53.
12. J.J. Van Laar: Z. Phys. Chem., 1908, vol. 63, pp. 257-97.
13. A.D. Pelton and W.T. Thompson: Progr. Solid State Chem., 1975, vol. 10, pp. 119-55.
14. M. Hasebe and T. Nishizawa: CALPHAD, 1980, vol. 4, pp. 83-100.
15. Y.A. Chang and S.-L. Chen: in Advanced Physical Chemistry in Process Metallurgy, N. Sano, W.-K. Lu, and P.V. Riboud, eds., Academic Press Ltd., London, 1997, pp. 5-41.
16. H.L. Lukas, J. Weiss, and E.-T. Henig: CALPHAD, 1982, vol. 6, pp. 229-51.
17. B. Sundman, B. Jansson, and J.-O. Anderson: CALPHAD, 1985, vol. 9, pp. 153-90.
18. A.T. Dinsdale, S.M. Hudson, T.I. Barry, and J.R. Taylor: Proc. 27th Annual Conf. of Metallurgists, CIM, Montreal, 1988, vol. 11, pp. 59-68.
19. G. Eriksson and K. Hack: Metall. Trans. B, 1990, vol. 21B, pp. 1013-23.
20. W.T. Thompson, G. Eriksson, C.W. Bale, and A.D. Pelton: in High Temperature Materials Chemistry, Electrochemical Society, Inc., Pennington, NJ, 1997, pp. 16-30.
21. WinPhad software for multicomponent phase diagram calculations by CompuTherm, LLC, Madison, WI, since 1998.
22. PANDAT software for multicomponent phase diagram calculations by CompuTherm, LLC, Madison, WI, since 2000.
23. S.-L. Chen, F. Zhang, S. Daniel. F.-X. Xie, X.-Y. Yan, Y.A. Chang, R. Schmid-Fetzer, and W.A. Oates: JOM, 2003, vol. 55, pp. 48-52.
24. C.W. Bale, P. Chartrand, S.A. Degterov, G. Erisson, K. Hack, R. Ben Mahfoud, J. Melancon, A.D. Pelton, and S. Peterson: CALPHAD, 2002, vol. 26, pp. 189-228.
25. J.L. Meijering: Philips Res. Rep., 1950, vol. 5, pp. 333-56.
26. J.L. Meijering: Philips Res. Rep., 1951, vol. 6, pp. 183-210.
27. J.L. Meijering and H. K. Hardy: Acta Metall., 1956, vol. 4, pp. 249-56.
28. Y.A. Chang, J.P. Neumann, A. Mikula, and D. Goldberg: INCRA Monograph VI, Phase Diagrams and Thermodynamic Properties of Ternary Copper-Metal Systems, The International Copper Research Association, Inc., New York, NY, 1979.
29. PanAluminium, a thermodynamic database for aluminum alloys with 16 elements by CompuTherm, LLC, Madison, WI, since 1998, but has been continually updated.
30. F. Rhines: Phase Diagrams in Metallurgy, Their Development and Applications, McGraw-Hill, New York, NY, 1951.
31. Y.A. Chang, J.P. Neumann, and U.V. Choudary: INCRA Monograph VII, Phase Diagrams and Thermodynamic Properties of Ternary Copper-Sulfur-Metal Systems, The International Copper Research Association, Inc., New York, NY, 1979.
32. Y.A. Chang and K.-C. Hsieh: Phase Diagrams of Ternary Copper-Oxygen-Metal Systems, ASM INTERNATIONAL, Metals Park, OH, 1989.
33. Y.A. Chang, X.-Y. Yang, F.-Y. Xie, and S.-L. Chen: in Solidification of Aluminum Alloys, Men G. Chu, D. Granger, and H. Han, eds., TMS, Warrendale, PA, 2004, pp. 3-18.
34. J.F. Loffer: Intemetallic, 2003, vol. 11, pp. 529-40.
35. Y. Yang, Y.A. Chang, L. Tan, and Y. Du: Mater. Sci. Eng. A, 2003, vol. 361, pp. 281-93.
36. Y. Yang: Ph.D. Thesis, University of Wisconsin, Madison, WI, 2004.
37. Y. Yang, Y.A. Chang, L. Tan, and W. Cao: Acta Mater., 2005, vol. 53, pp. 1711-20.
38. Y. Yang, Y.A. Chang, and L. Tan: Intermetallics, 2005, vol. 13, pp. 1110-15.
39. Y. Yang and Y.A. Chang: Intermetallics, 2005, vol. 13, pp. 121-28.
40. H. Nowotny, E. Dimakopoulou, and H. Kudielka: Mh. Chem., 1957, vol. 88, pp. 180-92.
41. J.H. Perepezko, R. Sakidja, and S. Kim: Materials Research Society Symposia Proc., Materials Research Society, Pittsburgh, PA, 2001, vol. 646, pp. N4.5.1-4.5.12.
42. D.M. Berczik: United States Patent 5,595,616, 1997.
43. D.M. Berczik: United States Patent 5,693,156, 1997.
44. M.K. Meyer, M.J. Kramer, and M. Akinc: Intermetallics, 1996, vol. 4, pp. 273-81.
45. E. Strom, J. Zhang, and D. Feng: Trans. Nonferrous Metals Society of China, 2002, vol. 12 (4), pp. 676-80.
46. Y.A. Chang, S.-L. Chen, F. Zhang, X.-Y. Yan, F.-Y. Xie, R. Schmid-Fetzer, and W.A. Dates: Progr. Mater. Sci., 2004, vol. 49, pp. 313-45.
47. Y. Liu, G. Shao, and P. Tsakiropoulos: Intermetallics, 2000, vol. 8, pp. 953-62.
48. K.E. Spear and P.K. Liao: Bull. Alloy Phase Diagram, 1988, vol. 9, pp. 457-66.
49. N. Saunders: in COST 507, I. Ansara, A.T. Dinsdale, and M.H. Rand, eds., European Communities, Luxembourg, 1988.
50. S.K. Lim and H.L. Lukas: in COST 507, I. Ansara, A.T. Dinsdale, and M.H. Rand, European Communities, Luxembourg, 1998, vol. 2.
51. H.J. Seifert, H.L. Lukas, and G. Petzow: Z. Metallkd., 1996, vol. 87, pp. 2-13.
52. C. Baetzner: Thesis, Max Planck Institut-PML, Stuttgart, Federal Republic of Germany, 1994.
53. U.R. Kattner: JOM, 1997, vol. 49 (12), pp. 14-19.
54. D. Xu, G. Duan, and W.L. Johnson: Phys. Rev. Lett., 2004, vol. 92, p. 245504.
55. Z.P. Lu, C.T. Liu, J.R. Thompson, and W.D. Porter: Phys. Rev. Lett., 2004, vol. 92, pp. 245503/1-245503/4.
56. D. Ma, H. Cao, K.C. Hsieh, L. Ding, and Y.A. Chang: Appl. Phys. Lett., 2005, vol. 87, pp. 171914/1-171914/3.
57. X.Y. Yan, Y.A. Chang, Y. Yang, F.Y. Xie, S.L. Chen, F. Zhang, S. Daniel, and M.H. He: Intermetallics, 2001, vol. 9, pp. 535-38.
58. A. Inoue: Acta Mater., 2000, vol. 48, pp. 279-306.
59. D. Turnbull: Contemp. Phys., 1969, vol. 10, pp. 473-88.
60. Z.P. Lu and C.T. Liu: Phys. Rev. Lett., 2003, vol. 91, pp. 115505/1-115505/4.
61. G.E. Metzger: Welding J., 1967, vol. 46 (10), pp. 457S-469S.
62. N.F. Gittos and M.H. Scott: Welding J., 1981, vol. 60 (6), pp. 95S-103S.
63. M. Katoh and H.W. Kerr: Welding J., 1987, vol. 66 (12), pp. 360S-368S.
64. H.W. Kerr and M. Katoh: Welding J., 1987, vol. 66 (9), pp. 251S-259S.
65. M. Miyazaki, K. Nishio, M. Katoh, M. Mukae, and H.W. Kerr: Welding J., 1990, vol. 69 (9), pp. 362S-371S.
66. M.B.D. Ellis, M.F. Gittos, and I. Hadley: The Welding Inst. J. (UK), 1997, vol. 6 (2), pp. 213-55.
67. C. Huang and S. Kou: Sci. Technol. Welding Joining, 2004, vol. 9, pp. 149-57.
68. C. Huang and S. Kou, Welding J., 2004, vol. 83, pp. 111S-122S.
69. S.A. Wolf, D.D. Awschalom, R.A. Buhrman, J.M. Daughton, S. von Molnár, M.L. Roukes, A.Y. Chtchelkanova, and D.M. Treger: Science, 2001, vol. 294, pp. 1488-95.
70. J.S. Moodera, L.R. Kinder, T.M. Wong, and R. Meservey: Phys. Rev. Lett., 1995, vol. 74, pp. 3273-76.
71. Zutic, J. Fabian, and S.D. Sarma: Rev. Mod. Phys., 2004, vol. 76, pp. 323-410.
72. O.A. Prinz: Science, 1998, vol. 282, pp. 1660-63.
73. H. Shim, B.K. Cho, J. Kim, T.W. Kim, and W.J. Park: J. Appl. Phys., 2003, vol. 93, pp. 7026-28.
74. J.S. Moodera, J. Nassar, and G. Mathon, Ann. Rev. Mater. Sci., 1999, vol. 29, pp. 381-432
75. E.Y. Tsymbal, O.N. Mryasov, and P.R. LeClair: J. Phys., Condens. Matter, 2003, vol. 15, pp. R109-R142.
76. K. Ohashi, K. Hayashi, K. Nagahara, K. Ishihara, E. Fukami, J. Fujikata, S. Mori, M. Nakada, T. Mitsuzuka, K. Matsuda, H. Mori, A. Kamijo, and H. Tsuge: IEEE Trans. Magn., 2000, vol. 36, pp. 2549-53.
77. J.J. Sun, K. Shimazawa, N. Kasahara, K. Sato, T. Kagami, S. Saruki, S. Araki, and M. Matsuzaki: J. Appl. Phys., 2001, vol. 89, pp. 6653-55.
78. Z.G. Zhang, P.P. Freitas, A.R. Ramos, N.P. Barradas, and J.C. Soares: Appl Phys. Lett., 2001, vol. 79, pp. 2219-21.
79. J.R. Childress, M.M. Schwickert, R.E. Fontana, M.K. Ho, P.M. Rice, and B.A. Gurney: J. Appl. Phys., 2001, vol. 89, pp. 7353-55.
80. J.J. Yang, P.P. Ladwig, Y. Yang, C.-X. Ji, Y.A. Chang, F.X. Liu, B.B. Pant, and A.E. Schultz: J. Appl. Phys., 2005, in press.
81. P.P. Ladwig, J.J. Yang, Y. Yang, F. Liu, B.B. Pant, A.E. Schultz, and Y.A. Chang: Appl. Phys. Lett., 2005, vol. 87, pp. 061901/1-061901/3.
82. S. Lee, C. Choi, and Y. Kim: Appl. Phys. Lett., 2003, vol. 83, pp. 317-19.
83. E. Ma and M. Atzmon: Phys. Rev. Lett., 1991, vol. 67, pp. 1126-29.
84. E. Ma, F. Brunner, and M. Atzmon: J. Phase Equilibria, 1993, vol. 14, pp. 137-41.
85. H.J. Fecht, G. Han, Z. Fu, and W.L. Johnson: J. Appl. Phys., 1990, vol. 67, pp. 1744-48.
86. H. Yoshioka, H. Habazaki, A. Kawashima, K. Asami, and K. Hashimoto: Electrochimica Acta, 1991, vol. 36, pp. 1227-33.
87. J. Ho and K. Lin: J. Appl. Phys., 1994, vol. 75, pp. 2434-40.
88. J.J. Yang, Y. Yang, and Y.A. Chang: J. Appl. Phys., 2005, vol. 98, 074508/1-074508/6.
89. T. Wang, Z. Jin, and J. Zhao: J. Phase Equilibria, 2001, vol. 22, pp. 544-51.
90. D.B. Williams and C.B. Carter: Transmission Electron Microscopy: A Textbook for Materials Science, Plenum Press, New York, NY, 1996, pp. 474-75.
91. F. Zhang: CompuTherm, LLC, Madison, WI, private communication, 2004.
92. Pan Titanium, a Thermodynamic Database for Titanium Alloys by CompuTherm, LLC, Madison, WI, since 2002, but has been continually updated.
93. W.L. Bragg and E.J. Williams: Proc. R. Soc., 1934, vol. A145, pp. 699-730.
94. W.L. Bragg and E.J. Williams: Proc. R. Soc., 1934, vol. A151, pp. 540-66.
95. W.L. Bragg and E.J. Williams: Proc. R. Soc., 1935, vol. A152, pp. 231-52.
96. J.O. Anderson, A.F. Guillemet, M. Hillert, B. Jason, and B. Sundman: Acta Metall., 1986, vol. 34, pp. 437-45.
97. W. Shockley: J. Chem. Phys., 1938, vol. 6, pp. 130-44.
98. D. de Fontaine: Solid State Phys., 1979, vol. 34, pp. 73-274.
99. D. de Fontaine: Solid State Phys., 1994, vol. 47, pp. 33-176.
100. R. Kikuchi: Phys. Rev., 1951, vol. 81, pp. 988-1003.
101. R. Kikuchi and C.M. Van Baal: Scripta Metall., 1974, vol. 8, pp. 425-28.
102. J.M. Sanchez and D. de Fontaine: Phys. Rev. B, 1978, vol. 17, pp. 1926-36.
103. W.A. Oates and H. Wenzl: Scripta Mater., 1996, vol. 35, pp. 623-27.
104. W.A. Oates, F. Zhang, S.-L. Chen, and Y.A. Chang: Phys. Rev. B, 1999, vol. 59, pp. 11221-11225.
105. J. Zhang, W.A. Oates, F. Zhang, S.-L. Chen, K.-C. Chou, and Y.A. Chang: Intermetallics, 2001, vol. 9, pp. 5-8.
106. F. Zhang, Y. Du, W.A. Oates, S.-L. Chen, and Y.A. Chang: Acta Mater., 2003, vol. 51, pp. 207-16.
107. W. Cao, Y.A. Chang, J. Zhu, S.-L. Chen, and W.A. Oates: Acta Mater., 2005, vol. 53, pp. 331-35.
108. W. Cao, J. Zhu, Y. Yang, F. Zhang, S.-L. Chen, W.A. Oates, and Y.A. Chang: Acta Mater., 2005, vol. 53, pp. 4189-97.
109. B. Sundman, S.G. Fries, and W.A. Oates: CALPHAD, 1998, vol. 22, pp. 355-57.
110. C.N. Yang and Y. Li: Chin. J. Phys., 1947, vol. 7, pp. 59-71.
111. R. Kikuchi, R. Sanchez, D. de Fontaine, and H. Yamauchi: Acta Metall., 1980, vol. 28, pp. 651-62.
112. S.-L. Chen, S. Daniel, F. Zhang, Y.A. Chang, W. A. Oates, and R. Schmid-Fetzer: J. Phase Equilibria, 2001, vol. 22, pp. 373-78.
113. S.-L. Chen, S. Daniel, F. Zhang, Y.A. Chang, X.-Y. Yan, F.-Y. Xie, R. Schmid-Fetzer, and W.A. Oates: CALPHAD, 2002, vol. 26, pp. 175-88.
114. S. Ochiai, Y. Oya, andT. Suzuki: Bull. P M E (T I T), 1983, vol. 52, pp. 1-17.
115. Y.M. Hong, H. Nakayima, Y, Mishima, and T. Suzuki: Iron Steel Inst. Jpn. Int., 1989, vol. 29, pp. 78-84.
116. A. Pasture, K. Colinet, A.T. Paxton, and M.J. Schilfgaarde: J. Phys., Condens. Matter, 1992, vol. 4, pp. 945-59.
117. H.-M. Huang and Y.A. Chang: Intermetallics, 1998, vol. 6, pp. 487-98; Corrigendum: Intermetallics, 1999, vol. 7, pp. 625-26.
118. A. Kusoffsky, N. Dupin, and B. Sundman: CALPHAD, 2001, vol. 25, pp. 549-65.
119. T. Abe and B. Sundman: CALPHAD, 2003, vol. 27, pp. 403-08.
120. Y.W. Lee and H.I. Aaronson: Acta Metall., 1980, vol. 28, pp. 439-547.
121. R. Kikuchi and J.W. Cahn: Acta Metall., 1979, vol. 27, pp. 1337-53.
122. W. Cao, J. Zhu, S.-L. Chen, W.A. Dates, M. Asta, and Y.A. Chang: Acta Mater., 2005, in press.
123. M. Asta: in Theory and Applications of the Cluster Variation method and Path Probability Methods, J.L. Moran-Lopez and J.M. Sanchez, eds., Plenum Press, New York, NY, 1996, pp. 237-54.
124. V.G. Vaks and G.D. Samolyuk: J. Exp. Theor. Phys., 1999, vol. 88, pp. 89-100.
125. J.J. Hoyt and S. Spooner: Acta Metall., 1991, vol. 39, pp. 689-93.
126. S.F. Baumann and D.B. Williams: Scripta Metall., 1984, vol. 18, 611-16.
127. A.J. Ardell: Interface Sci., 1995, vol. 3, pp. 119-25.
128. C. Marsh and H. Chen: Acta Metall., 1990, vol. 38, pp. 2287-98.
129. C. Woodward: AFRL/MLLM, Wright-Patterson AFB, OH, private communication, 2004.
130. W. Cao, J. Zhu, Y. Yang, W.A. Oates, and Y.A. Chang: Scripta Mater., vol. 53, pp. 1379-82.
131. R. Kikuchi and L.-Q. Chen: Nanostr. Mater., 1995, vol. 5, pp. 257-68.
132. A. van de Walle and G. Ceder: J. Phase Equilibria, 2002, vol. 23, pp. 348-59.