Effects of aluminum on hydrogen solubility and diffusion in deformed Fe-Mn alloys

  title={Effects of aluminum on hydrogen solubility and diffusion in deformed Fe-Mn alloys},
  author={Carl Huter and Shang Dang and Xiuhui Zhang and Albert Glensk and Robert Spatschek},
  journal={Advances in Materials Science and Engineering},
  • C. Huter, S. Dang, +2 authors R. Spatschek
  • Published 30 April 2016
  • Materials Science, Physics
  • Advances in Materials Science and Engineering
We discuss hydrogen diffusion and solubility in aluminum alloyed Fe-Mn alloys. The systems of interest are subjected to tetragonal and isotropic deformations. Based on ab initio modelling, we calculate solution energies and then employ Oriani’s theory which reflects the influence of Al alloying via trap site diffusion. This local equilibrium model is complemented by qualitative considerations of Einstein diffusion. Therefore, we apply the climbing image nudged elastic band method to compute the… 

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