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Correlation between Structures and Physical Properties of Binary ZnO–P2O5 Glasses
Physica Status Solidi (B) - Basic Solid State Physics ( IF 1.6 ) Pub Date : 2020-07-16 , DOI: 10.1002/pssb.202000186
Hirokazu Masai 1 , Yohei Onodera 2 , Shinji Kohara 3 , Takahiro Ohkubo 4 , Akitoshi Koreeda 5 , Yasuhiro Fujii 5 , Masanori Koshimizu 6 , Masato Yamawaki 7
Affiliation  

The structures and various corresponding physical parameters of non‐crystalline materials have attracted much attention owing to their wide diversity. Because solving the structure of glass is one of the most challenging issues in glass science, it is essential to combine several experimental and modeling techniques. Herein, the physical properties and structures at different length scales of binary zinc phosphate (ZP) glass are examined using different probes. The 3D structures constructed by reverse Monte Carlo modeling based on the datasets of 31P nuclear magnetic resonance, neutron and X‐ray diffraction, and Zn K‐edge X‐ray absorption fine structure indicate that the volume fraction and the connectivity of cavities in these ZP glasses vary significantly depending on the chemical composition. In addition, the compositional‐dependent modification of the network structure is examined through the diffraction peaks in X‐ray and neutron data, the boson peak of Raman scattering, and positron annihilation lifetime data. Furthermore, the correlations between structural parameters at different length scales are discussed using statistical principal component analysis. It is demonstrated that such numerical analysis based on the experimental results is important not only for simple oxide systems, but also for multicomponent glass systems.

中文翻译:

二元ZnO–P2O5玻璃的结构与物理性质的相关性

非晶态材料的结构和各种相应的物理参数由于其多样性而备受关注。由于解决玻璃的结构是玻璃科学中最具挑战性的问题之一,因此必须结合多种实验和建模技术。在本文中,使用不同的探针检查了二元磷酸锌(ZP)玻璃在不同长度尺度上的物理性质和结构。通过反向蒙特卡洛建模基于31个数据集构建的3D结构P核磁共振,中子和X射线衍射以及Zn K边缘X射线吸收精细结构表明,这些ZP玻璃的体积分数和腔的连通性根据化学成分而有很大不同。此外,还通过X射线和中子数据中的衍射峰,拉曼散射的玻色子峰以及正电子an灭寿命数据来检查网络结构的成分依赖性修饰。此外,使用统计主成分分析讨论了不同长度尺度的结构参数之间的相关性。结果表明,基于实验结果的这种数值分析不仅对于简单的氧化物体系,而且对于多组分玻璃体系也很重要。
更新日期:2020-07-16
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