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首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >Static and dynamics mapping of energy landscape in potassium-silicate glass structure
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Static and dynamics mapping of energy landscape in potassium-silicate glass structure

机译：硅酸钾玻璃结构能量分布的静态和动态映射

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摘要

The structure of 5K(2)O(.)85SiO(2)(K0(5)) and 15K(2)O (.) 75SiO(2)(K15) glasses were obtained with help of molecular dynamics method. The relation between the glass structure in the vicinity of potassium ions and the potential-energy hypersurface was studied by means of the static and the dynamic approaches. The energy maps of ions in open and closed sites are presented up to 3.5 angstrom. Calculated activation energy distributions were compared for case of static and dynamic approaches and both glasses. The dynamic approach significantly decreased the activation energy due to the enabled relaxation of the surrounding glass. However, due to the neglecting of correlations in potassium transport the mean activation energy of potassium is still higher in glass with higher alkali content (K15). (c) 2005 Elsevier B.V. All rights reserved.
机译：借助分子动力学方法获得了5K（2）O（。）85SiO（2）（K0（5））和15K（2）O（。）75SiO（2）（K15）玻璃的结构。通过静态和动态方法研究了钾离子附近的玻璃结构与势能超表面之间的关系。打开和关闭位置中离子的能量图显示为3.5埃。比较了静态方法和动态方法以及两种眼镜的计算活化能分布。由于周围玻璃的松弛，动态方法大大降低了活化能。但是，由于忽略了钾运输的相关性，因此在碱含量较高的玻璃（K15）中，钾的平均活化能仍然更高。 （c）2005 Elsevier B.V.保留所有权利。

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