% 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{Han:17547,
      author       = {Han, X.J. and Schober, H.R.},
      title        = {{T}ransport properties and {S}tokes-{E}instein relation in
                      a computer-simulated glass-forming ${C}u_33.3{Z}r_66.7$
                      melt},
      journal      = {Physical review / B},
      volume       = {83},
      number       = {22},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-17547},
      pages        = {224201},
      year         = {2011},
      note         = {We are grateful to A. Meyer and J. Horbach for their
                      comments and suggestions. Financial supports from the
                      National Natural Science Foundation of China (Grant Nos.
                      50371043 and 50890174), Shanghai Municipal Natural Science
                      Foundation (Grant No. 10ZR1415700), and Research Fund for
                      the Doctoral program of Higher Education of China (Grant No.
                      20100073120008) are acknowledged.},
      abstract     = {Molecular dynamics simulation with a modified embedded atom
                      potential was used to study transport properties and the
                      Stokes-Einstein relation of a glass-forming Cu33.3Zr66.7
                      metallic melt. Upon cooling, at high temperatures, the
                      self-diffusion coefficients of the two species evolve nearly
                      parallel, whereas they diverge below 1600 K. The viscosity
                      as function of temperature is calculated from the Green-Kubo
                      equation. The critical temperature of mode coupling theory
                      T-c is found as 1030 K, from both the transport properties
                      and the alpha-relaxation time. It is found that the
                      Stokes-Einstein relation between viscosity and diffusivity
                      breaks down at around 1600 K, far above T-c and even above
                      the melting temperature. The temperature dependence of the
                      effective diameter in the Stokes-Einstein relation
                      correlates closely with the first derivative of the ratio of
                      the self-diffusion coefficients of the two components. We
                      propose that the onset of Stokes-Einstein relation breakdown
                      could be predicted quantitatively by the divergence behavior
                      of diffusion coefficients, and the breakdown of
                      Stokes-Einstein relation is ascribed to the sudden increase
                      of the dynamic heterogeneity.},
      keywords     = {J (WoSType)},
      cin          = {PGI-2},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-2-20110106},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000291727600003},
      doi          = {10.1103/PhysRevB.83.224201},
      url          = {https://juser.fz-juelich.de/record/17547},
}