Sökning: "Calphad modelling"

Visar resultat 1 - 5 av 11 avhandlingar innehållade orden Calphad modelling.

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

    Författare :Huahai Mao; Bo Sundman; Gunnar Eriksson; KTH; []
    Nyckelord :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;

    Sammanfattning : 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. LÄS MER

  3. 2. Investigation of vanadium-containing oxide systems : CALPHAD and experiments

    Författare :Yang Yang; Malin Selleby; Caisa Samuelsson; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Calphad; thermodynamic modelling; compound energy formalism; evaporation kinetics; activation energy; TGA; activity;

    Sammanfattning : Fundamental studies on thermodynamic properties of vanadium-containing oxides systems are essential to understand practical vanadium metallurgical process. The CALPHAD technique is here applied to the thermodynamic modelling of the V-O, Ca-V-O and Ti-V-O systems. The compound energy formalism is used for all the solution phases. LÄS MER

  4. 3. Modelling the system Cr-Fe-Ni-Te via the CALPHAD method, DFT and experiments : for fast nuclear reactor applications

    Författare :Carl-Magnus Arvhult; Malin Selleby; Jean-Marc Joubert; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Phase diagrams; Calphad; thermodynamics; microscopy; XRD; thermal analysis; phase transitions; nuclear materials; Teknisk materialvetenskap; Materials Science and Engineering;

    Sammanfattning : In the pursuit of safer, more environmentally friendly and sustainable forms of energy production for our ever growing demands, a type of nuclear reactor cooled by liquid metal instead of water is under development. Specific to this type of reactor are special forms of corrosion of the material that encapsulates the fuel pins in the reactor core, called Fuel-Clad Chemical Interaction (FCCI) or Fission Product-induced Liquid Metal Embrittlement (FPLME). LÄS MER

  5. 4. Thermodynamic description of the Fe-C-Cr-Mn-Ni-O system

    Författare :Lina Kjellqvist; Malin Selleby; Bengt Hallstedt; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; thermodynamic modelling; thermodynamic assessment; Calphad; phase diagram; spinel; compound energy formalism; ionic two-sublattice liquid model; Materials science; Teknisk materialvetenskap;

    Sammanfattning : The Fe-C-Cr-Mn-Ni-O system is of fundamental importance when describing the influence of oxygen on high alloyed steels. Both solid and liquid phases are of great interest: The solid phases regarding oxidation processes like the formation of oxide layers, inner oxidation, sintering processes and high temperature corrosion. LÄS MER

  7. 5. Phase equilibria and thermodynamic properties of high-alloy tool steels : theoretical and experimental approach

    Författare :Johan Bratberg; John Ågren; Bengt Hallstedt; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; thermodynamic modelling; thermodynamic calculations; tool steels; high-speed steels; CALPHAD; Other materials science; Övrig teknisk materialvetenskap;

    Sammanfattning : The recent development of tool steels and high-speed steels has led to a significant increase in alloy additions, such as Co, Cr, Mo, N, V, and W. Knowledge about the phase relations in these multicomponent alloys, that is, the relative stability between different carbides or the solubility of different elements in the carbides and in the matrix phase, is essential for understanding the behaviour of these alloys in heat treatments. LÄS MER