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@ARTICLE{Vikrant:887819,
      author       = {Vikrant, K. S. N. and Rheinheimer, Wolfgang and García, R.
                      Edwin},
      title        = {{E}lectrochemical drag effect on grain boundary motion in
                      ionic ceramics},
      journal      = {npj computational materials},
      volume       = {6},
      number       = {1},
      issn         = {2057-3960},
      address      = {London},
      publisher    = {Nature Publ. Group},
      reportid     = {FZJ-2020-04445},
      pages        = {165},
      year         = {2020},
      abstract     = {The effects of drag imposed by extrinsic ionic species and
                      point defects on the grain boundary motion of ionic
                      polycrystalline ceramics were quantified for the generality
                      of electrical, chemical, or structural driving forces. In
                      the absence of, or for small driving forces, the extended
                      electrochemical grain boundary remains pinned and
                      symmetrically distributed about the structural interface. As
                      the grain boundary begins to move, charged defects
                      accumulate unsymmetrically about the structural grain
                      boundary core. Above the critical driving force for motion,
                      grain boundaries progressively shed individual ionic
                      species, from heavier to lighter, until they display no
                      interfacial electrostatic charge and zero Schottky
                      potential. Ionic p–n junction moving grain boundaries that
                      induce a finite electrostatic potential difference across
                      entire grains are identified for high velocity grains. The
                      developed theory is demonstrated for Fe-doped SrTiO3. The
                      increase in average Fe concentration and grain boundary
                      crystallographic misorientation enhances grain boundary core
                      segregation and results in thick space charge layers, which
                      leads to a stronger drag force that reduces the velocity of
                      the interface. The developed theory sets the stage to assess
                      the effects of externally applied fields such as
                      temperature, electromagnetic fields, and chemical stimuli to
                      control the grain growth for developing textured, oriented
                      microstructures desirable for a wide range of applications.},
      cin          = {IEK-1},
      ddc          = {004},
      cid          = {I:(DE-Juel1)IEK-1-20101013},
      pnm          = {899 - ohne Topic (POF3-899)},
      pid          = {G:(DE-HGF)POF3-899},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000583046000001},
      doi          = {10.1038/s41524-020-00418-z},
      url          = {https://juser.fz-juelich.de/record/887819},
}