% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Hter:847999,
      author       = {Hüter, Claas and Shanthraj, Pratheek and McEniry, Eunan
                      and Spatschek, Robert and Hickel, Tilmann and Tehranchi, Ali
                      and Guo, Xiaofei and Roters, Franz},
      title        = {{M}ultiscale {M}odelling of {H}ydrogen {T}ransport and
                      {S}egregation in {P}olycrystalline {S}teels},
      journal      = {Metals},
      volume       = {8},
      number       = {6},
      issn         = {2075-4701},
      address      = {Basel},
      publisher    = {MDPI},
      reportid     = {FZJ-2018-03307},
      pages        = {430 -},
      year         = {2018},
      abstract     = {A key issue in understanding and effectively managing
                      hydrogen embrittlement in complex alloys is identifying and
                      exploiting the critical role of the various defects
                      involved. A chemo-mechanical model for hydrogen diffusion is
                      developed taking into account stress gradients in the
                      material, as well as microstructural trapping sites such as
                      grain boundaries and dislocations. In particular, the
                      energetic parameters used in this coupled approach are
                      determined from ab initio calculations. Complementary
                      experimental investigations that are presented show that a
                      numerical approach capable of massive scale-bridging up to
                      the macroscale is required. Due to the wide range of length
                      scales accounted for, we apply homogenisation schemes for
                      the hydrogen concentration to reach simulation dimensions
                      comparable to metallurgical process scales. Via a
                      representative volume element approach, an ab initio based
                      scale bridging description of dislocation-induced hydrogen
                      aggregation is easily accessible. When we extend the
                      representative volume approach to also include an analytical
                      approximation for the ab initio based description of grain
                      boundaries, we find conceptual limitations that hinder a
                      quantitative comparison to experimental data in the current
                      stage. Based on this understanding, the development of
                      improved strategies for further efficient scale bridging
                      approaches is foreseen.},
      cin          = {IEK-2 / JARA-ENERGY},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IEK-2-20101013 / $I:(DE-82)080011_20140620$},
      pnm          = {113 - Methods and Concepts for Material Development
                      (POF3-113)},
      pid          = {G:(DE-HGF)POF3-113},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000436115600058},
      doi          = {10.3390/met8060430},
      url          = {https://juser.fz-juelich.de/record/847999},
}