A study on the Behavior of Interstitial Elements in Nickel Super-alloys

Peter Wagner

Research output: ThesisDiploma Thesis

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The overall aim of this work is to understand diffusion and distribution of interstitial and alloying additions in Ni3Al through the combination of ab initio calculations and experiments. The results obtained from the Vienna Ab Initio Simulation Package (VASP) were compared with the data from high temperature carburization and high temperature oxidation experiments. The samples were characterized using optical microscopy, scanning electron microscopy, focused ion beam microscopy, energy dispersive X-ray spectroscopy, and other techniques. Despite limitations of system size of the VASP, it is able to efficiently predict the diffusion behavior of interstitial elements in well-ordered materials. For materials with a more random structure, the VASP results are not as exact, but using the received data as a basis could contribute to a far more accurate simulation behavior.
Translated title of the contributionEine Studie über das Verhalten von interstitielle Elementen in Nickelbasis Legierungen
Original languageEnglish
  • Mori, Gregor Karl, Supervisor (internal)
Award date1 Jul 2011
Publication statusPublished - 2011

Bibliographical note

embargoed until null


  • Nickel Super-alloys
  • VASP
  • high temperature corrosion

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