Sökning: "thermodynamic equilibrium calculations"

Visar resultat 1 - 5 av 62 avhandlingar innehållade orden thermodynamic equilibrium calculations.

1. 1. Thermodynamic Database for Zirconium Alloys

   Författare :Rosa Jerlerud Pérez; Bo Sundman; Arthur Motta; KTH; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Zirconium alloys; thermodynamic equilibrium; thermodynamic properties; binary system; ternary system; Gibbs energy; Thermo-Calc; Calphad; binary system; ternary system; Other materials science; Övrig teknisk materialvetenskap;

   Sammanfattning : For many decades zirconium alloys have been commonly used in the nuclear power industry as fuel cladding material. Besides their good corrosion resistance and acceptable mechanical properties the main reason for using these alloys is the low neutron absorption. LÄS MER

3. 2. 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

4. 3. Electronic Structure Calculations of Point Defects in Semiconductors

   Författare :Andreas Höglund; Susanne Mirbt; Alison Mainwood; Uppsala universitet; []
   Nyckelord :Physics; electronic structure calculations; point defects; semiconductor; formation energy; equilibrium solubility limit; thermodynamic equilibrium concentration; transfer levels; negative-U; 110 surface; diffusion; activation energy; solar cells; Fysik;

   Sammanfattning : In this thesis point defects in semiconductors are studied by electronic structure calculations. Results are presented for the stability and equilibrium concentrations of native defects in GaP, InP, InAs, and InSb, for the entire range of doping conditions and stoichiometry. LÄS MER

5. 4. Thermodynamic investigations of transition metal systems containing coabon and nitrogen

   Författare :Lidong Teng; Seshadri Seetharaman; Tooru Matsumiya; KTH; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Materials science; thermodynamic activity; galvanic cell technique; transition metal carbides; transition metal nitrides; phase equilibrium; Materialvetenskap; Materials science; Teknisk materialvetenskap;

   Sammanfattning : In view of the important applications of carbides and carbo-nitrides of transition metals in the heat-resistant and hard materials industries, the thermodynamic activities of Cr and Mn in the Cr-C, Fe-Cr-C, Mn-Ni-C and Mn-Ni-C-N systems have been studied in the present work by the use of the galvanic cell technique. CaF2single crystals were used as the solid electrolyte. LÄS MER

7. 5. A Study of Slag/Metal Equilibrium and Inclusion Characteristics during Ladle Treatment and after Ingot Casting

   Författare :Hamid Doostmohammadi; Pär Jönsson; Lauri Holappa; KTH; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; inclusions; thermodynamics; ladle treatment; vacuum; tool steel; bearing steel; slag; equilibrium; slag carryover; oxides; sulfides.; Metallurgical process engineering; Metallurgisk processteknik;

   Sammanfattning : Today, there is a high demand on clean steel for high performance materialproperties. Thus, steel producers try to deliver a steel product with the highestquality and cleanliness to the market. The number of parameters that affect thesteel cleanliness may vary depending on the required material properties of thefinal product. LÄS MER