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@ARTICLE{Schober:809309,
      author       = {Schober, H. R. and Peng, H. L.},
      title        = {{H}eterogeneous diffusion, viscosity, and the
                      {S}tokes-{E}instein relation in binary liquids},
      journal      = {Physical review / E},
      volume       = {93},
      number       = {5},
      issn         = {2470-0045},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {FZJ-2016-02533},
      pages        = {052607},
      year         = {2016},
      abstract     = {We investigate the origin of the breakdown of the
                      Stokes-Einstein relation (SER) between diffusivity and
                      viscosity in undercooled melts. A binary Lennard-Jones
                      system, as a model for a metallic melt, is studied by
                      molecular dynamics. A weak breakdown at high temperatures
                      can be understood from the collectivization of motion, seen
                      in the isotope effect. The strong breakdown at lower
                      temperatures is connected to an increase in dynamic
                      heterogeneity. On relevant time scales some particles
                      diffuse much faster than the average or than predicted by
                      the SER. The van Hove self-correlation function allows one
                      to unambiguously identify slow particles. Their diffusivity
                      is even less than predicted by the SER. The time span of
                      these particles being slow particles, before their first
                      conversion to be a fast one, is larger than the decay time
                      of the stress correlation. The contribution of the slow
                      particles to the viscosity rises rapidly upon cooling. Not
                      only the diffusion but also the viscosity shows a
                      dynamically heterogeneous scenario. We can define a
                      “slow” viscosity. The SER is recovered as the relation
                      between slow diffusivity and slow viscosity.},
      cin          = {PGI-2 / JARA-HPC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-2-20110106 / $I:(DE-82)080012_20140620$},
      pnm          = {144 - Controlling Collective States (POF3-144) / Dynamik in
                      Gläsern und unterkühlten Schmelzen und Flüssigkeiten
                      $(jiff07_20140501)$},
      pid          = {G:(DE-HGF)POF3-144 / $G:(DE-Juel1)jiff07_20140501$},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000376261600007},
      pubmed       = {pmid:27300951},
      doi          = {10.1103/PhysRevE.93.052607},
      url          = {https://juser.fz-juelich.de/record/809309},
}