Sökning: "CALPHAD"

Visar resultat 11 - 15 av 43 avhandlingar innehållade ordet CALPHAD.

1. 11. Theoretical modeling of molar volume and thermal expansion

   Författare :Xiao-Gang Lu; Bo Sunsman; Michel Jacobs; KTH; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Materials science; first-principles calculations; ab initio; Calphad; Debye-Grüneisen model; thermodynamic properties; elastic modulus; volume; thermal expansivity; pressure; Thermo-Calc; VASP; element; carbide; nitride; Materialvetenskap; Materials science; Teknisk materialvetenskap;

   Sammanfattning : Combination of the Calphad method and theoretical calculations provides new possibilities for the study of materials science. This work is a part of the efforts within the CCT project (Centre of Computational Thermodynamics) to combine these methods to facilitate modeling and to extend the thermodynamic databases with critically assessed volume data. LÄS MER

3. 12. 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

4. 13. Thermodynamic and kinetic investigation of systems related to lightweight steels

   Författare :Weisen Zheng; Malin Selleby; Tomás Gómez-Acebo; KTH; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Fe-Mn-Al-C; CALPHAD; MGI; ICME; Precipitation strengthening; Lightweight steels.; Teknisk materialvetenskap; Materials Science and Engineering;

   Sammanfattning : Lightweight steels have attracted considerable interest for automobile applications due to the weight reduction without loss of high strength and with retained excellent plasticity. In austenitic Fe-Mn-Al-C steels, the nano-precipitation of the κ-carbide within the austenitic matrix significantly contributes to the increase in yield strength. LÄS MER

5. 14. From the Electronic Structure of Point Defects to Functional Properties of Metals and Ceramics

   Författare :David Andersson; Börje Johansson; Pavel Korzhavyi; Benjamin Burton; KTH; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; first principles; ab initio; density functional theory; Calphad; point defects; diffusion; solid electrolytes; oxygen storage materials; Material physics with surface physics; Materialfysik med ytfysik;

   Sammanfattning : Point defects are an inherent part of crystalline materials and they influence important physical and chemical properties, such as diffusion, hardness, catalytic activity and phase stability. Increased understanding of point defects enables us to tailor the defect-related properties to the application at hand. LÄS MER

7. 15. 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