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@ARTICLE{Hter:819883,
      author       = {Hüter, C. and Dang, S. and Zhang, X. and Glensk, A. and
                      Spatschek, Robert},
      title        = {{E}ffects of {A}luminum on {H}ydrogen {S}olubility and
                      {D}iffusion in {D}eformed {F}e-{M}n {A}lloys},
      journal      = {Advances in materials science and engineering},
      volume       = {16},
      issn         = {1687-8442},
      address      = {New York, NY},
      publisher    = {Hindawi},
      reportid     = {FZJ-2016-05459},
      pages        = {rticle ID 4287186},
      year         = {2016},
      abstract     = {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 minimum energy
                      paths and energy barriers for hydrogen diffusion. Both for
                      diffusivity and solubility of hydrogen, we find that the
                      influence of the substitutional Al atom has both local
                      chemical and nonlocal volumetric contributions.},
      cin          = {IEK-2 / JARA-HPC},
      ddc          = {670},
      cid          = {I:(DE-Juel1)IEK-2-20101013 / $I:(DE-82)080012_20140620$},
      pnm          = {111 - Efficient and Flexible Power Plants (POF3-111) /
                      HITEC - Helmholtz Interdisciplinary Doctoral Training in
                      Energy and Climate Research (HITEC) (HITEC-20170406) /
                      Hydrogen in metals and steels $(jiek29_20161101)$},
      pid          = {G:(DE-HGF)POF3-111 / G:(DE-Juel1)HITEC-20170406 /
                      $G:(DE-Juel1)jiek29_20161101$},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000383073500001},
      doi          = {10.1155/2016/4287186},
      url          = {https://juser.fz-juelich.de/record/819883},
}