拓扑束缚理论及磷硅酸盐玻璃光纤材料物性关联规律研究

Phosphate glass optical fibers possess good optical properties, high quantum efficiency, and low nonlinear coefficient, but with weak thermodynamics and mechanical properties. To overcome such two shortages and maintaining excellent optical properties in the meantime has been a challenge and research focus. This project will investigate the correlation between topological constraint theory and phosphate glass optical fibers. This project involves the correlation between topological constraint theory and properties of phosphosilicate optical fibers. The investigation is applied in exploring thermodynamics and mechanical behavior of multicomponent glasses with their quantitative calculation and prediction in terms of topological constraint theory, which is subsequently used to obtain the optimal compositions with theoretical basis. Additionally the parametric change of viscosity is derived by mathematic formula lying on the base of structural model. The rationality of the established model is validated through presentative experiment of introducing various oxides, which is aimed to figure out the correlation of composition-structure-properties. This research focuses on investigating spectral characteristic of rare-earth luminescence centers doped in phosphosilicate glass local network environment, and technical problems of perform and fiber drawing. It could make a success to prepare novel phosphosilicate optical fibers with high thermo-chemical properties and excellent optical properties. This research is aim to deepen the fundamental study of functional glasses and property oriented calculation method, promote the development of glass science, and provide theoretical and technical support for new generation of high-performance rare-earth doped glass optical fibers as well as their industrialization.

磷酸盐玻璃光纤具有光谱性能好、量子效率高、非线性系数小等特点，但其热力学、机械性能相对较差。如何在保持其良好发光性能的基础上，进一步提高其热力学和机械性能，一直都是研究热点和难题。本课题研究拓扑束缚理论及磷硅酸盐玻璃光纤材料的物性关联规律。利用拓扑束缚理论研究多组分玻璃的热力学、机械性能及其定量计算和预测,以获得具有理论依据的优化配方；在结构模型基础上用数学方程表达基于温度的粘度等物性量变化过程，建立功能模型；掌握物性关联规律，获得“玻璃基因”，并通过代表性实验来验证模型的合理性，进一步完善拓扑束缚理论。研究磷硅酸盐玻璃混合网络局域环境的光谱性能，探索适合磷硅酸盐玻璃光纤的制备技术，制备磷硅酸盐玻璃光纤。并将深化功能玻璃基础研究和性能计算等基础理论，促进玻璃科学的发展；为大数据快速计算、开发新型高性能玻璃提供技术参数和理论指导，为新一代玻璃光纤产业化提供理论基础与技术支撑。

本项目以设计高功率、强耐热冲击性能的磷酸盐基激光玻璃光纤材料为对象，采用拓扑束缚理论进行物性关联的应用基础研究，主要内容为：针对该多组分磷硅酸盐玻璃的热力学、机械性能及其定量计算和预测展开探求,以获得具有理论依据的优化配方；考察氧化物如碱金属氧化物、碱土金属氧化物，以及氧化铝等引入对结构和性能的影响，并揭示结构和性能变化成因；在结构模型基础上用数学方程表达基于温度的粘度等物性量变化过程，建立功能模型；基于物联规律获得“玻璃基因”，并通过代表性实验来验证模型的合理性，进一步完善了拓扑束缚理论，模拟的转变温度、硬度、膨胀、粘度等性能与实验值基本一致。研究了磷硅酸盐玻璃混合网络局域环境的光谱性能，获得高转变温度强发光的玻璃配方，并将模拟及其计算结果运用到磷硅酸盐玻璃光纤的制备技术，此外，在项目支持下还对机器学习、分子动力学等模拟方法进行了初探。研究工作按计划及时完成，该项目为深化功能玻璃基础研究和性能计算等基础理论，促进玻璃科学的发展，并为开发新型高性能玻璃提供技术参数和理论指导，为高性能玻璃光纤研发提供理论参考。在该项目支持下，已发表学术论文20余篇，申请专利1项，培养研究生7名。