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首页> 外文期刊>Proceedings of the National Academy of Sciences of the United States of America >Relationship between topological order and glass forming ability in densely packed enstatite and forsterite composition glasses
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Relationship between topological order and glass forming ability in densely packed enstatite and forsterite composition glasses

机译：密堆积的顽辉石和镁橄榄石成分玻璃的拓扑顺序与玻璃形成能力的关系

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摘要

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 (MgSiO3) composition is a good glass former, whereas the forsterite (Mg2SiO4) composition is at the limit of glass formation. Here, the structure of MgSiO3 and Mg2Si04 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 Mg2SiO4 glass is associated with a topologically ordered and very narrow ring distribution. The MgOx polyhedra have a variety of irregular shapes in MgSiO3 and Mg2SiO4 glasses and a cavity analysis demonstrates that both glasses have almost no free volume due to a large contribution from edge sharing of MgOx-MgOx 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-0 contacts is reduced, although the effective chemical interaction of Mg2+ remains similar. This unusual structure-property relation of Mg2Si04 glass demonstrates that by using containerless processing it may be possible to synthesize new families of dense glasses and glass ceramics with zero porosity.
机译：硅酸镁熔体的原子结构是理解与地球地幔演化有关的过程的关键，并且代表了大多数火成岩形成的前兆。硅酸镁组合物也代表了许多玻璃陶瓷的主要成分，并且取决于它们的组成可以跨越玻璃形成的整个脆性范围。富含二氧化硅的顽辉石（MgSiO3）组成是良好的玻璃形成剂，而镁橄榄石（Mg2SiO4）组成处于玻璃形成的极限。在这里，已经使用悬浮数据的反向蒙特卡罗拟合和密度泛函理论对由悬浮液获得的MgSiO3和Mg2SiO4组成的玻璃的结构进行了建模。环统计分析表明，Mg2SiO4玻璃的较低的玻璃形成能力与拓扑结构有序且非常窄的环分布有关。 MgOx多面体在MgSiO3和Mg2SiO4玻璃中具有多种不规则形状，并且腔分析表明，由于MgOx-MgOx多面体的边缘共享，这两种玻璃几乎没有自由体积。发现尽管与结晶相相比，玻璃中的Mg阳离子的原子量增加，但Mg-0 +的接触数却减少了，尽管Mg2 +的有效化学相互作用仍然相似。 Mg2SiO4玻璃的这种不寻常的结构-特性关系表明，通过使用无容器处理，可以合成零孔隙率的新系列致密玻璃和玻璃陶瓷。

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    S. Kohara; J. Akola; H. Morita; K. Suzuya; J. K. R. Weber; M. C. Wilding; C. J. Benmore;

  • 作者单位

    Research and Utilization Division, Japan Synchrotron Radiation Research lnstitute/SPring-8, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198, Japan;

    Department of Physics, Tampere University of Technology, P.O. Box 692, FI-33101, Tampere, Finland,Department of Physics, Nanoscience Center, University of Jyvaskyla, P.O. Box 35, FI-40014, Jyvaskyla, Finland,Institut fur Festkorperforschung, Forschungszentrum Jiilich, D-52425 Julich, Germany;

    Graduate School of Science and Engineering, Yamagata University, 1-4-12 Kojirakawa, Yamagata-City, Yamagata 990-8560, Japan;

    Japan Proton Accelerator Research Complex Center, Japan Atomic Energy Agency, Tokai-mura, Naka-gun, Ibaraki 319-1195, Japan;

    Materials Development, 3090, Daniels Court, Arlington Heights, IL 60004,Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439;

    Center for Advanced Functional Materials and Devices, Institute of Mathematics and Physics, Aberystwyth University, Aberystwyth SY23 3BZ, United Kingdom;

    Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439;

  • 收录信息 美国《科学引文索引》(SCI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
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  • 正文语种 eng
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  • 关键词

    earth science; glass structure;

    机译：地球科学;玻璃结构;

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