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Thermodynamic calculation and kinetic simulation related to solidification process
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Computational Thermodynamics.
2006 (English)In: Modeling of Casting, Welding and Advanced Solidification Processes - XI, 2006, p. 529-536Conference paper, Published paper (Refereed)
Abstract [en]

This paper presents a brief review and some new results of the thermodynamic calculation and kinetic simulation related to the micro-modelling of solidification processes by using ThermoCalc and DICTRA. Emphasis is given on a partial-equilibrium approach developed as a modification of the Scheil-Gulliver non-equilibrium approximation to treat effectively the back diffusion of fast diffusing elements in solid phases. We start with a DICTRA simulation and successfully explain why the P peak drifts away from those of Mn and Si in the experimentally observed composition profiles of a carbon steel. Then, for this steel and other 16 carbon and low alloy steels, we perform both non-equilibrium and partial-equilibrium solidification calculations and demonstrate the significant improvement of the partial-equilibrium approach by comparing the freezing range results with those from either DICTRA simulations or experimental observations.

Place, publisher, year, edition, pages
2006. p. 529-536
Series
Modeling of Casting, Welding and Advanced Solidification Processes - XI ; 1
Keyword [en]
Back diffusion, DICTRA, Scheil-Gulliver, Solidification, Thermo-Calc, Computer simulation, Kinetic theory, Mathematical models, Phase equilibria, Thermal diffusion, Thermodynamics, Partial equilibrium solidification, Scheil Gulliver, Thermo Calc
National Category
Other Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-155835Scopus ID: 2-s2.0-33845227196ISBN: 0873396294 (print)ISBN: 9780873396295 (print)OAI: oai:DiVA.org:kth-155835DiVA, id: diva2:769841
Conference
Modeling of Casting, Welding and Advanced Solidification Processes - XI, 28 May 2006 through 2 June 2006, Opio
Note

QC 20141209

Available from: 2014-12-09 Created: 2014-11-13 Last updated: 2014-12-09Bibliographically approved

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CiteExportLink to record
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Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
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  • en-US
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  • nn-NB
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Output format
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