Analysis of Structural Transition Phenomena in Amorphous Functional Materials

非晶功能材料的结构转变现象分析

基本信息

批准号：
09640595
负责人：
IWADATE Yasuhiko
金额：
$ 1.6万
依托单位：
Chiba University
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (C)
财政年份：
1997
资助国家：
日本
起止时间：
1997 至 1998
项目状态：
已结题

来源：
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-09640595/
关键词：
Glass Melt X-ray diffraction Radial distribution Borate Tellurite Network structure Complex ion 構造解析 X線回析ボロキソル環

项目摘要

X-ray diffraction analyses were performed for two B_2O_3-CaO and TeO_2-Li_2O glassy systems and two Na_3ErCl_6 and K_3ErCl_6 ionic melts. The samples of glasses and melts were prepared by rapidly quenching of the starting chemicals. The scattered intensity data were corrected in a conventional manner for background, polarization, absorption and Compton scattering, normalized to the coherent scattering intensity of the stoichiometric unit, and Fourier-transformed to obtain radial distribution functions, from which structural information was extracted. Most probable structural parameters such as coordination number. interatomic distance, and temperature factor were optimized for each atomic pair by the correlation method in the reciprocal lattice space as well as the radial distribution analysis in the real space in order to clarify the effects of oxide modifiers or alkali chlorides on the structure of glasses or melts.The obtained results were as follows, (1) network structure consisting of boroxol rings was formed in B_2O_3 glass, (2) 4-coordinated borons transformed from 3-coordinated ones existed in B_2O_3-CaO glasses, (3) distortion of boroxol rings and decrease in symmetricity of rings were observed, (4) Ca_<2-> ions in B_2O_3-CaO glasses entered the octahedral cavity composed of six oxygen atoms, (5) network-forming units in TeO_2-Li_2O glasses were trigonal bipyramids TeO_4 and trigonal pyramids TeO_3 in which the former was thought to be transformed, via the transient species of polyhedra with non-bridging oxygens, into the latter with increasing Li_2O contents, (6) there were clustered complex ions in molten pure ErCl_<3+>, but the existence of discrete octahedral complex ions ErCl_6^<3->, due to cluster decomposition, was recognized in Na_3ErCl_6 and K_3ErCl_6 melts according to the geometrical calculations of bond lengths and bond angles.

对两个B_2O_3-CAO和TEO_2-LI_2O玻璃系统以及两个Na_3ercl_6和K_3ercl_6离子熔体进行了X射线衍射分析。玻璃和熔体样品是通过快速淬火开始化学物质来制备的。以常规方式校正了散射的强度数据，以使背景，极化，吸收和康普顿散射标准化为化学计量单元的相干散射强度，并从从结构信息中提取径向分布功能，从而获得了径向分布功能。最可能的结构参数，例如协调数。通过相关晶格空间中的相关方法以及真实空间中的径向分布分析，为每个原子对优化了原子间距离和温度因子，以阐明氧化物修饰剂或碱性氯化物对玻璃结构或碱的影响熔体。所获得的结果如下，（1）在B_2O_3玻璃中形成由硼氧醇环组成的网络结构，（2）4条配位的硼从B_2O_3-CAO玻璃杯中存在于3配音的硼中，（3）硼ca醇的失真观察到环的环和降低环的对称性，（4）B_2O_3-CAO玻璃中的Ca__ <2->离子进入了八面体腔，该腔体由六个氧原子组成，（5）TEO_2-LI_2O玻璃中的网络形式单位是Trigonal Biponal Biponal Bipyonal bipyramids teo__444和三角金字塔TEO_3，其中认为前者通过具有非桥接氧的Polyhedra的瞬态物种转化为后者，而Li_2o含量增加，（6）熔融纯ERCL_ <3+> <3+> ，但是由于群集分解，在Na_3ercl_6中识别了离散的八面体复合物离子ERCL_6^<3->，并且根据键长和键角的几何计算，在Na_3ercl_6和K_3ercl_6中识别。