Berlin 2018 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 47: Poster Session II

MM 47.36: Poster

Mittwoch, 14. März 2018, 18:30–19:45, Poster C

Grain boundary thermodynamics in the iron–chromium system — Helena Solodenko, Marvin Poul, •Sebastian Eich, and Guido Schmitz — Universität Stuttgart, Stuttgart, Deutschland

We present a thorough analysis of grain boundary (GB) thermodynamics using the framework developed by Frolov and Mishin[1]. This framework eo ipso allows to make a prediction of GB segregation and GB free energies on the basis of the properties of the pure components in the binary system. Based on the theory and available ab initio as well as experimental data, we chose the iron–chromium system since it is suggested to be a candidate for stabilization against grain growth in nanocrystalline materials due to negative GB free energies. Indeed, atomistic studies utilizing an accurate thermodynamic embedded-atom potential, confirmed negative GB free energies close to the phase boundary on the chromium-rich side. Eventually, we performed atom probe tomography experiments on pre-alloyed chromium-rich iron-chromium alloys deposited by ion beam sputtering followed by subsequent heat treatment. We quantitatively compare the atomistic prediction with the experimental results.

[1] T. Frolov and Y. Mishin, Phys. Rev. B 85 (2012), 224107.