Abstract
The major tools used in applying computational thermodynamics to various problems in materials science are briefly presented and several practical examples are given as illustrations. Solutions to industrial problems, pertaining to the processing of and microstructure development in several different materials, are shown with answers given in graphical form. Solutions to kinetic problems linked with diffusion are also treated. The last section is devoted to the problem of interfacing between thermodynamic computations and applications oriented software.
References
85Sun Sundman, B.; Jansson, B.; Anderson, J.O.: Calphad 9 (1985) 153.10.1016/0364-5916(85)90021-5Search in Google Scholar
87Ans Ansara, I.; Sundman, B., in: P.S. Glaeser (ed.), Computer handling and dissemination of data, CODATA (1987) 154.Search in Google Scholar
88Sch Schwarzkopf, M.; Exner, H.E.; Fischmeister, H. F.; Schintlmeister, W.: Mater. Sci. Eng. A 105/106 (1988) 225.10.1016/0025-5416(88)90500-9Search in Google Scholar
90Eri Eriksson, G.; Hack, K.: Metall. Trans. B 21 (1990) 1013.10.1007/BF02670272Search in Google Scholar
90Hay Hayes, F.H.; Hetherington, M.G.; Longbottom, R.D.: Mater. Sci. Technol. 6 (1990) 263.10.1179/mst.1990.6.3.263Search in Google Scholar
90And Andersson, J.-O.; Ho¨glund, L.; Jönsson, B.; Ågren, J., in: G.R. Purdy (ed.), Fundamentals and aplications of ternary diffusion, Pergamon Press, New York (1990) 1013.Search in Google Scholar
92A° gr Ågren, J.: ISIJ Int. 32 (1992) 291.10.2355/isijinternational.32.291Search in Google Scholar
92Lle Llewellyn, D.T.: Steels: metallurgy and applications, Chapter 5, Butterworth-Heinemann, Oxford (1992) 222.Search in Google Scholar
94Cha Charles, J., in: T.G. Gooch (ed.), Duplex stainless steels ’94, Vol. 1, Proc. 4th Int. Conf., Glasgow, TWI, Abington, Cambridge (1994) K1.Search in Google Scholar
94Dav Davies, R.H.; Dinsdale, A.T.; Gisby, J.A.; Hodson, S.M.; Ball, R.G.J., in: Applications of thermodynamics in the synthesis and processing of materials, Proc. Conf. ASM/TMS Fall Meeting, Rosemont, IL (1994).Search in Google Scholar
94Eri Eriksson, G.; Sippola, H.; Sundman, B., in: Proc. coll. on process simulation, Helsinki University of Technology, Report TKK-V-B99 (1994) 67.Search in Google Scholar
94Lon Longbottom, R.D.; Hayes, F.H.: As Ref. [94Cha], paper 124.Search in Google Scholar
95Boe Boettinger, W.J.; Kattner, U.R.; Coriell, S.R.; Chang, Y.A.; Mueller, B.A., in: M. Cross, J. Campbell (eds.), Modelling of casting, welding and advanced solidification processes VII, TMS, Warrendale, PA (1995) 649.Search in Google Scholar
95War Warren, J.; Boettinger, W.J.: Acta Metall. Mater. 43 (1996) 689. 96Kar Karma, A.; Rappel, W.J.: Phys. Rev. E 53 (1996) 3017.Search in Google Scholar
96Boe Boettinger, W.J.; Warren, J.: Metall. Mater. Trans A 27 (1996) 657.10.1007/BF02648953Search in Google Scholar
97Meu Meurer, B.; Spencer, P.; Neuschu¨tz, D.: J. Chim. Phys. 94 (1997) 889.10.1051/jcp/1997940889Search in Google Scholar
97Sau Saunders, N., in: J. Beech, H. Jones (eds.), Proc. 4th Decennial int. conf. on solidification processing, University of Sheffield (1997) 362.Search in Google Scholar
97Sch Schalin, M.; Kattner, U.R.: Unpublished result, Workshop, Ringberg (1997).Search in Google Scholar
98Ahm Ahmad, N.A.; Wheeler, A.A.; Boettinger, W.J.; McFadden, G.B.: Phys. Rev. E 58 (1998) 3436.10.1103/PhysRevE.58.3436Search in Google Scholar
98Boe Boettinger, W.J.; Kattner, U.R.; Banerjee, D.K., in: B.G. Thomas, C. Beckermann (eds.), Modelling of casting, welding and advanced solidification processes VIII, TMS, Warrendale, PA (1998) 159.Search in Google Scholar
98Dav Davies, R.H.; Dinsdale, A.T.; Gisby, J.A.: MTDATA handbook: application interface programming guide, CMMT, National Physical Laboratory, Teddington (1998).Search in Google Scholar
98Feu Feutelais, Y.; Legendre, B.: Thermochimica Acta 314 (1998) 35.10.1016/S0040-6031(97)00479-6Search in Google Scholar
98Sch Schalin, M.: TRITA-MAC 622, KTH, Stockholm (1998).Search in Google Scholar
98Hil Hillert, M.: Phase equilibria, phase diagrams and phase transformations – their thermodynamic basis, University Press, Cambridge (1998).Search in Google Scholar
98MAT MATLAB, ® The Mathworks Inc. (1998).Search in Google Scholar
98Mob MOB2 Database: Thermo-Calc AB, Stockholm Technology Park, Björnnäsvägen 21, SE-113 47 Stockholm (1998).Search in Google Scholar
98Yoo Yoon S.W.; Lee H.M.: Calphad 22 (1998) 167.10.1016/S0364-5916(98)00022-4Search in Google Scholar
99Ekr Ekroth, M.; Ågren, J., in: PTM’99 Proc., Japan Institute of Metals, Kyoto (1999) 1413.Search in Google Scholar
99CN1 Thermodynamic cemented carbide database, CN1, Campada, Royal Institute of Technology, Stockholm (1999).Search in Google Scholar
00Kat Kattner, U.R.; Eriksson, G.; Hahn, I.; Schmid-Fetzer, R.; Sundman, B.; Swamy, V.; Kussmaul, A.; Spencer, P.J.; Anderson, T.J.; Chart, T.G.; Costa e Silva, A.; Jansson, B.; Lee, B.J.; Schalin, M.: Calphad 24 (2000) 55.10.1016/S0364-5916(00)00015-8Search in Google Scholar
00Moo Moon, K.-W.: NIST, Gaithersburg, MD: Private communication to U.R. Kattner (2000).Search in Google Scholar
© 2002 Carl Hanser Verlag, München
Articles in the same Issue
- Frontmatter
- Articles/Aufsätze
- Phosphorus grain boundary diffusion and segregation in Fe–2.2 wt.% Si alloy
- Intermetallic compounds formed during the soldering reactions of eutectic Sn–9Zn with Cu and Ni substrates
- Thermal fatigue resistance in Pb-based solder alloys for electronic packaging
- Rolling and recrystallization textures in Al –Mg alloys
- Structures similar to a quasicrystal in technical aluminum alloys
- Processing map for hot working of hot rolled Mg– 11.5Li –1.5Al alloy
- Applications of computational thermodynamics
- Phase diagram of the Fe –Co –R system with R ⩽33.3 at.% Sm0.5Nd0.5
- Microstresses caused by uniaxial deformation and by mechanical surface treatments
- The influence of basic vs. rutile electrode on the composition of duplex stainless steel weldments
- Mixed mode I/III fracture toughness of Armco iron at 77 K
- Suitability assessment of replacement of conventional hot-working steels with maraging steel
- Suitability assessment of replacement of conventional hot-working steels with maraging steel
- Notifications/Mitteilungen
- Personal/Personelles
- Conferences/Tagungen
Articles in the same Issue
- Frontmatter
- Articles/Aufsätze
- Phosphorus grain boundary diffusion and segregation in Fe–2.2 wt.% Si alloy
- Intermetallic compounds formed during the soldering reactions of eutectic Sn–9Zn with Cu and Ni substrates
- Thermal fatigue resistance in Pb-based solder alloys for electronic packaging
- Rolling and recrystallization textures in Al –Mg alloys
- Structures similar to a quasicrystal in technical aluminum alloys
- Processing map for hot working of hot rolled Mg– 11.5Li –1.5Al alloy
- Applications of computational thermodynamics
- Phase diagram of the Fe –Co –R system with R ⩽33.3 at.% Sm0.5Nd0.5
- Microstresses caused by uniaxial deformation and by mechanical surface treatments
- The influence of basic vs. rutile electrode on the composition of duplex stainless steel weldments
- Mixed mode I/III fracture toughness of Armco iron at 77 K
- Suitability assessment of replacement of conventional hot-working steels with maraging steel
- Suitability assessment of replacement of conventional hot-working steels with maraging steel
- Notifications/Mitteilungen
- Personal/Personelles
- Conferences/Tagungen