Sökning: "Bo Sunsman"

Hittade 1 avhandling innehållade orden Bo Sunsman.

1. 1. 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