Research Institute for Solid State Physics and Optics, POB 49, H-1525 Budapest, Hungary.
J Phys Condens Matter. 2010 Oct 13;22(40):404206. doi: 10.1088/0953-8984/22/40/404206. Epub 2010 Sep 22.
Neutron and high-energy x-ray diffraction measurements have been performed on multi-component 55SiO(2)·10B(2)O(3)·25Na(2)O·5BaO·ZrO(2) borosilicate host glass loaded with 30 wt% UO(3). Both the traditional Fourier transformation technique and the reverse Monte Carlo simulation of the experimental data have been applied to get structural information. It was established that the basic network structure consists of tetrahedral SiO(4) units and of mixed tetrahedral BO(4) and trigonal BO(3) units, similar to the corresponding host glass. Slight changes have been observed in the oxygen surroundings of the Na and Zr modifier cations; both the Na-O and Zr-O distances decrease and a more compact short-range structure has been obtained compared to the host glass. For the U-O correlations two distinct peaks were resolved at 1.84 and 2.24 Å, and for higher distances intermediate-range correlations were observed. Significant correlations have been revealed between U and the network former Si and B atoms. Uranium ions take part in the network forming, which may be the reason for the observed good glassy stability and hydrolytic properties.
已对负载 30wt% UO3的多组分 55SiO2·10B2O3·25Na2O·5BaO·ZrO2硼硅酸盐主体玻璃进行了中子和高能 X 射线衍射测量。传统的傅里叶变换技术和实验数据的反蒙特卡罗模拟都已应用于获取结构信息。结果表明，基本网络结构由四面体 SiO4单元和混合四面体 BO4和三角 BO3单元组成，与相应的主体玻璃相似。Na 和 Zr 改性剂阳离子的氧环境观察到轻微变化；与主体玻璃相比，Na-O 和 Zr-O 距离减小，获得了更紧凑的短程结构。对于 U-O 相关性，在 1.84 和 2.24 Å 处解析出两个明显的峰，对于更高的距离，观察到中间范围的相关性。在 U 和网络前体 Si 和 B 原子之间揭示了显著的相关性。铀离子参与网络形成，这可能是观察到的良好玻璃稳定性和水解性能的原因。
