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Found 4 swedish dissertations matching the above criteria.

  2. 1. Thermodynamic modelling and assessment of some alumino-silicate systems

    Author : Huahai Mao; Bo Sundman; Gunnar Eriksson; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; thermodynamic modelling; thermodynamic assessment; alumino-silicate system; slag; oxide system; CALPHAD; phase diagram; phase equilibrium; Thermo-Calc; compound energy formalism; ionic two sub-lattice liquid model; AlO2-1 species; Al2O3; CaO; MgO; SiO2; Y2O3; Materialvetenskap; Materials science; Teknisk materialvetenskap;

    Abstract : Alumino-silicate systems are of great interest for materials scientists and geochemists. Thermodynamic knowledge of these systems is useful in steel and ceramic industries, and for understanding geochemical processes. A popular and efficient approach used to obtain a self-consistent thermodynamic dataset is called CALPHAD. READ MORE

  4. 2. Developing the third generation of Calphad databases: what can ab-initio contribute?

    Author : Sedigheh Bigdeli; Malin Selleby; Huahai Mao; Nathalie Dupin; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY;

    Abstract : Developing the third generation of Calphad databases with more physical basis valid within a wider temperature range is the aim of the present work. Atomistic scale (ab-initio) methods, particularly techniques based on DFT theory, are used for modelling dierent phenomena, so as to gauge the capacity for use in Calphad modelling. READ MORE

  5. 3. Profitability = f(G) : Computational Thermodynamics, Materials Design and Process Optimization

    Author : David Dilner; Malin Selleby; Mao Huahai; André Costa e Silva; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; CALPHAD; steel; sulfide; steelmaking; thermodynamics; ICME; CALPHAD; stål; sulfid; ståltillverkning; termodynamik; ICME; Teknisk materialvetenskap; Materials Science and Engineering;

    Abstract : The thesis starts by giving a motivation to materials modeling as a way to increase profitability but also a possibility decrease the environmental impact. Fundamental concepts of relevance for this work are introduced, this include the materials genome, ICME and of course the CALPHAD method. READ MORE

  6. 4. Developing the third generation Calphad models and descriptions: a journey from unary to higher-order systems

    Author : Zhangting He; Malin Selleby; Huahai Mao; Andreas Blomqvist; Gabriele Cacciamani; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Teknisk materialvetenskap; Materials Science and Engineering;

    Abstract : The third generation Calphad descriptions aim to provide more accurate computational thermodynamics for an extended temperature range, i.e. from 0 K to high temperatures. In order to achieve such a goal, new Calphad models are needed. READ MORE