% 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{Gao:173410,
      author       = {Gao, X. Z. and Müser, Martin and Kong, L. T. and Li, J.
                      F.},
      title        = {{A}tomic structure and energetics of amorphous-crystalline
                      {C}u{Z}r interfaces: a molecular dynamics study},
      journal      = {Modelling and simulation in materials science and
                      engineering},
      volume       = {22},
      number       = {6},
      issn         = {1361-651X},
      address      = {Bristol},
      publisher    = {IOP Publ.},
      reportid     = {FZJ-2014-06820},
      pages        = {065007},
      year         = {2014},
      abstract     = {The local order of the binary alloy CuZr differs between
                      the crystal (B2 phase) and the metallic glass (MG). In the
                      B2 phase, both Cu and Zr reside in the center of polyhedra
                      whose surfaces are composed of six tetragons and eight
                      hexagons. In the glass, many different polyhedra occur with
                      a large fraction of five-edged faces. However, little has
                      hitherto been known about the local order in the interfacial
                      region between glass and crystal. Using embedded-atom
                      potential based molecular-dynamics simulations, we find it
                      differs markedly from that in the glass. For example,
                      distinctly fewer pentagons occur on the surfaces of Voronoi
                      polyhedra in the interface than on those in the MG.
                      Moreover, there is an increased variety of polyhedra
                      allowing the interface to be more densely packed than the
                      MG. Details of the polyhedra distribution and consequently
                      various interfacial properties depend on the orientation of
                      the crystals and to some degree also on the thermal history
                      of the sample. For the investigated surfaces, we find that
                      the interfacial energy is the smallest and the
                      crystallization activation energy highest for the
                      closest-packed crystalline surface. This result can be
                      rationalized by the argument that the lattice spacing of the
                      closest-packed surface is most commensurate with the
                      wavelength associated with the density pair correlation
                      function of the disordered system. In practice, our result
                      implies that the reinforcement of MGs is longest-lived for
                      nanocrystals with close-packed surfaces.},
      cin          = {JSC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)JSC-20090406},
      pnm          = {411 - Computational Science and Mathematical Methods
                      (POF2-411)},
      pid          = {G:(DE-HGF)POF2-411},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000341230900007},
      doi          = {10.1088/0965-0393/22/6/065007},
      url          = {https://juser.fz-juelich.de/record/173410},
}