On the potential for improving equilibrium thermodynamic databases with kinetic simulations

Journal of Phase Equilibria and Diffusion

Volumn 28, Issue 1, 2007, Pages 64-71

  Kozeschnik, E ^a,b   Holzer, I ^a   Sonderegger, B ^a,b  

^a GRAZ UNIVERSITY OF TECHNOLOGY   (Austria)

^b MATERIALS CENTER LEOBEN FORSCHUNG GMBH   (Austria)

Author keywords

CALPHAD approach; Computational studies; Kinetics; Modeling; Multi component equilibrium processes; Thermodynamic assessment

Indexed keywords

CALPHAD APPROACH; KINETIC SIMULATIONS; PRECIPITATION KINETICS; THERMODYNAMIC ASSESSMENT; THERMODYNAMIC DATABASES;

COMPUTATIONAL METHODS; COMPUTER SIMULATION; INTERMETALLICS; PHASE EQUILIBRIA;

THERMAL VARIABLES MEASUREMENT;

EID: 34250213235     PISSN: 15477037     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11669-006-9003-8     Document Type: Conference Paper

References (28)

1. J.O. Andersson, T. Helander, L. Höglund, P. Shi, and B. Sundman, Thermo-Calc & DICTRA, Computational Tools for Materials Science, CALPHAD, 2002, 26, p 273-312
2. J.O, Andersson, L. Höglund, B. Jönsson, and J. Ågren, Computer Simulations of Multicomponent Diffusional Transformations in Steel, in Fundamentals and Applications of Ternary Diffusion, G.R. Purdy, ed. Pergamon Press, New York, NY, 1990, pp. 153-163
3. B. Sundman, B. Jansson, and J.-O. Andersson, The ThermoCalc Databank System, CALPHAD, 1985, 9(2), p 153-190
4. J. Svoboda, F.D. Fischer, P. Fratzl, and E. Kozeschnik, Modelling of Kinetics in Multi-component Multi-phase Systems with Spherical Precipitates I. - Theory, Mater. Sci. Eng. A, 2004, 385(1-2), p 166-174
5. E. Kozeschnik, J. Svoboda, P. Fratzl, and F.D. Fischer, Modelling of Kinetics in Multi-component Multi-phase Systems with Spherical Precipitates II. - Numerical Solution and Application, Mater. Sci. Eng. A, 2004, 385(1-2), p 157-165
6. L. Onsager, Reciprocal Relations in Irreversible Processes I, Phys. Rev., 1931, 37, p 405-426
7. L. Onsager, Reciprocal Relations in Irreversible Processes II, Phys. Rev., 1932, 37, p 2265-2279
8. J. Svoboda, I. Turek, and F.D. Fischer, Application of the Thermodynamic Extremal Principle to Modeling of Thermodynamic Processes in Material Sciences, Phil. Mag., 2005, 85(31), p 3699-3707
9. B.P. Burton, N. Dupin, S.G. Fries, G. Orimvall, A.F. Guillermet, P. Miodownik, W.A. Oates, and V. Vinograd, Using ab initio Calculations in the CALPHAD Environment, Z. Metallkde., 2001, 92(6), p 514-525
10. E. Kozeschnik, J. Svoboda, and F.D. Fischer, On the Choice of Chemical Composition in Multi-component Nucleation, Proc. Int. Conference Solid-Solid Phase Transformations in Inorganic Materials, PTM 2005, Phoenix, AZ, USA, 29.5.-3.6.2005, 2005, p 301-310
11. E. Kozeschnik, J. Svoboda, and F.D. Fischer, Modified Evolution Equations for the Precipitation Kinetics of Complex Phases in Multi-component Systems, CALPHAD, 2005, 28(4), p 379-382
12. E. Kozeschnik and B. Buchmayr, MatCalc - A Simulation Tool for Multicomponent Thermodynamics, Diffusion and Phase Transformations. Mathematical Modelling of Weld Phenomena 5 book 738, H. Cerjak, H.K.D.H. Bhadeshia, Eds., IOM Communications, London, 2001, p 349-361
13. K.C. Russell, Nucleation in Solids: The Induction and Steady State Effects, Adv. Coll. Interf. Sci., 1980, 13, p 205-318
14. J.D. Robson and H.K.D.H. Bhadeshia, Kinetics of Precipitation in Power Plant Steels, CALPHAD, 1996, 20(4), p 447-460
15. R. Becker, Die Keimbildung bei der Ausscheidung in metallischen Mischkristallen, Ann. Phys., 1938, 32, p 128-140, in German
16. D. Turnbull, Impurities and Imperfections. ASM, Cleveland, OH, 1955, p 121-143
17. J. Rajek, Computer Simulation of Precipitation Kinetics in Solid Metals and Application to the Complex Power Plant Steel CB8, PhD Thesis, Graz University of Technology, 2005
18. B. Sonderegger, M. Bischof, E. Kozeschnik, H. Leitner, H. Clemens, J. Svoboda, and F.D. Fischer, A Comprehensive Treatment of Precipitation Kinetics in Complex Materials, Proc. Int. Conference Solid-Solid Phase Transformations in Inorganic Materials, PTM 2005, Phoenix, AZ, USA, 29.5.-3.6.2005, 2005, p 811-816
19. B. Sonderegger, E. Kozeschnik, Graz University of Technology, unpublished research, 2005
20. B. Sonderegger, Characterisation of the Substructure of Modern Power Plant Materials using the EBSD Method, PhD Thesis, Graz University of Technology, 2005, in German
21. TCFE3 Thermodynamic Database, Thermo-Calc Software AB. Stockholm, Sweden, 1992-2004
22. N. Saunders, A.P. Miodownik, CALPHAD - A Comprehensive Guide, Vol 1, Pergamon Materials Series, R.W. Cahn, Ed., Elsevier, Oxford, 1998
23. S.S. Babu, K. Hono, and T. Sakurai, Atom Probe Field Ion Microscopy Study of the Partitioning of Substitutional Elements during Tempering of a Low-alloy Steel Martensite, Met. Mater. Trans., 1994, 25A, p 499-507
24. E. Kozeschnik and J.M. Vitek, Ortho-equilibrium and Para-equilibrium Phase Diagrams for Interstitial/Substitutional Iron Alloys, CALPHAD, 2000, 24(4), p 495-502
25. G. Ghosh and G. Olson, Precipitation of Paraequilibrium Cementite: Experiments, and Thermodynamic and Kinetic Modeling, Acta Mater., 2099, 50, p 2099-2119
26. H.K.D.H. Bhadeshia, Bainite in Steels, 2nd ed., Institute of Materials, ISBN 1 86125 112 2 (H), 2001
27. P. Jaques, E. Girault, T. Catlin, N. Geerlofs, T. Kop, S. Zwaag, and F. Delannay, Bainite Transformation of Low Carbon Mn-Si TRIP-assisted Multiphase Steels: Influence of Silicon Content on Cementite Precipitation and Austenite Retention, Mater. Sci. Eng. A, 1999, 273-275, p 475-479
28. H. Danielsen, J. Hald, Z-phase in 9-12% Cr Steels, Internal report Värmeforsk Servie AB, 2004