Browsing Computational File Repository by Author "Kattner, Ursula R."

Now showing items 1-2 of 2

    • Thermodynamic analysis of the topologically close packed σ phase in the Co-Cr system 

      Wang, Peisheng; Peters, Matthew C.; Kattner, Ursula R.; Choudhary, Kamal; Olson, Gregory B (2019-11)
      Density functional theory (DFT) calculations show that it is essential to consider the magnetic contribution to the total energy for the end-members of the σ phase. A more straightforward method to use the DFT results in ...

    • Thermodynamic re-assessment of the Al-Co-W system 

      Wang, Peisheng; Xiong, Wei; Kattner, Ursula R.; Campbell, Carelyn E.; Lass, Eric A.; Kontsevoi, Oleg Y.; Olson, Gregory B.
      The Al-Co-W system and its binary sub-systems Al-Co, Al-W and Co-W were critically reviewed. The thermodynamic description of the Al-Co-W system including all three binaries was developed considering thermodynamic and ...