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THERMO-CALC & DICTRA, computational tools for materials science
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2002 (English)In: Calphad, ISSN 0364-5916, E-ISSN 1873-2984, Vol. 26, no 2, 273-312 p.Article in journal (Refereed) Published
Abstract [en]

Software for calculation of phase diagrams and thermodynamic properties have been developed since the 1970's. Software and computers have now developed to a level where such calculations can be used as tools for material and process development. In the present paper some of the latest software developments at Thermo-Calc Software are presented together with application examples. It is shown how advanced thermodynamic calculations have become more accessible since: - A more user-friendly windows version of Thermo-Calc, TCW, has been developed. - There is an increasing amount of thermodynamic databases for different materials available. - Thermo-Calc can be accessed from user-written software through several different programming interfaces are available which enables access to the thermodynamic software from a user-written software. Accurate data for thermodynamic properties and phase equilibria can then easily be incorporated into software written in e.g. C++, Matlab and FORTRAN. Thermo-Calc Software also produces DICTRA, a software for simulation of diffusion controlled phase transformations. Using DICTRA it is possible to simulate processes such as homogenization, carburising, microsegregation and coarsening in multicomponent alloys. The different models in the DICTRA software are briefly presented in the present paper together with some application examples.

Place, publisher, year, edition, pages
2002. Vol. 26, no 2, 273-312 p.
Keyword [en]
compound energy formalism, computer-simulations, diffusional transformations, multiphase systems, steels, multicomponent, alloys, model, phase, dissolution
Identifiers
URN: urn:nbn:se:kth:diva-21823ISI: 000177463000008OAI: oai:DiVA.org:kth-21823DiVA: diva2:340521
Note
QC 20100525Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2017-12-12Bibliographically approved

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