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@ARTICLE{Kohara:19949,
      author       = {Kohara, S. and Akola, J. and Morita, H. and Suzuya, K. and
                      Weber, J.K.R. and Wilding, M.C. and Benmore, C.J.},
      title        = {{R}elationship between topological order and glass forming
                      ability in densely packed enstatite and forsterite
                      composition glasses},
      journal      = {Proceedings of the National Academy of Sciences of the
                      United States of America},
      volume       = {108},
      issn         = {0027-8424},
      address      = {Washington, DC},
      publisher    = {Academy},
      reportid     = {PreJuSER-19949},
      pages        = {14780 - 14785},
      year         = {2011},
      note         = {We thank Dr. Jan Swenson for providing us with the atomic
                      configuration of 3Na<INF>2</INF>O-4SiO<INF>2</INF> and
                      3CaO-4SiO<INF>2</INF> glasses. We thank Mr. Hiroyuki Fujii
                      for helping the development of software for ring statistics
                      calculations. The synchrotron radiation experiment was
                      carried out with the approval of the Japan Synchrotron
                      Radiation Research Institute (JASRI) (Proposal No.
                      2006B1461) and all DFT calculations were carried out on
                      Juropa (Xeon 5570) and Cray XT4/XT5 supercomputers in the
                      Forschungszentrum Julich (FZJ, Germany) and CSC (Espoo,
                      Finland) with grants from FZJ, the John von Neumann
                      Institute for Computing, and CSC. This work was supported by
                      the Department of Energy, Division of Materials Science,
                      Office of Basic Energy Science, under Contract number
                      DE-AC02-06CH11357 and by Grant-in-Aid for Scientific
                      Research on Innovative Areas (Grant No. 20103004) from the
                      Ministry of Education, Culture, Sports, Science, and
                      Technology of Japan. S. K. and J.A. are supported by the
                      Japan Science and Technology Agency and the Academy of
                      Finland via the Strategic Japanese-Finland Cooperative
                      Program on "Functional Materials."},
      abstract     = {The atomic structures of magnesium silicate melts are key
                      to understanding processes related to the evolution of the
                      Earth's mantle and represent precursors to the formation of
                      most igneous rocks. Magnesium silicate compositions also
                      represent a major component of many glass ceramics, and
                      depending on their composition can span the entire fragility
                      range of glass formation. The silica rich enstatite
                      (MgSiO(3)) composition is a good glass former, whereas the
                      forsterite (Mg(2)SiO(4)) composition is at the limit of
                      glass formation. Here, the structure of MgSiO(3) and
                      Mg(2)SiO(4) composition glasses obtained from levitated
                      liquids have been modeled using Reverse Monte Carlo fits to
                      diffraction data and by density functional theory. A ring
                      statistics analysis suggests that the lower glass forming
                      ability of the Mg(2)SiO(4) glass is associated with a
                      topologically ordered and very narrow ring distribution. The
                      MgO(x) polyhedra have a variety of irregular shapes in
                      MgSiO(3) and Mg(2)SiO(4) glasses and a cavity analysis
                      demonstrates that both glasses have almost no free volume
                      due to a large contribution from edge sharing of
                      MgO(x)-MgO(x) polyhedra. It is found that while the atomic
                      volume of Mg cations in the glasses increases compared to
                      that of the crystalline phases, the number of Mg-O contacts
                      is reduced, although the effective chemical interaction of
                      Mg(2+) remains similar. This unusual structure-property
                      relation of Mg(2)SiO(4) glass demonstrates that by using
                      containerless processing it may be possible to synthesize
                      new families of dense glasses and glass ceramics with zero
                      porosity.},
      keywords     = {J (WoSType)},
      cin          = {PGI-1},
      ddc          = {000},
      cid          = {I:(DE-Juel1)PGI-1-20110106},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Multidisciplinary Sciences},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:21873237},
      pmc          = {pmc:PMC3169147},
      UT           = {WOS:000294543400020},
      doi          = {10.1073/pnas.1104692108},
      url          = {https://juser.fz-juelich.de/record/19949},
}