基于A/B位离子固溶的新型AlON系尖晶石型透明陶瓷体系设计、制备与性能调控研究

Possessing both outstanding optical and mechanical properties, transparent structural ceramics have been widely used in national defense and civil application fields. However, There are only two spinel-type ceramics (MgAl2O4 and γ-AlON), which has already made it difficult to meet the requirements of application. Thus, it is necessity to develop novel materials and property-adjustment approaches. In this project, novel AlON serial spinels will be constructed by purposefully introducing cations into A/B sites through substitutional solid solute based on γ-AlON crystal structure. By the first-principles calculation, the influence of A/B site cations on crystal structures and intrinsic properties of spinels, which will be used as the guidance for the design of novel AlON serial transparent ceramics, will be clarified. According to the combination of theoretical simulation and experimental studies, novel AlON serial transparent ceramics with designed composition and crystal structure will be prepared. After analyzing the distribution of A/B site cations in detail and systematically evaluating material properties, the influence of A/B site cations on materials composition, crystal structures and properties of spinels will be revealed. Finally, the design, preparation and property adjustment of novel AlON serial transparent ceramics will be realized. Through these research, it is anticipated that some innovative achievement will be made in the fields of the design and preparation of novel transparent ceramics, the relation among composition-crystal structure-intrinsic properties in complex spinels as well as the approach for property adjustment in spinel-type transparent ceramics. The research results will give significant impact on both basic theories and engineering application.

透明结构陶瓷兼具优异光学和机械性能，在国防和民用领域用途广阔。但目前仅有的两种尖晶石型陶瓷（MgAl2O4和γ-AlON）已难以满足需求，因此发展新的材料体系及性能调控手段势在必行。本项目从γ-AlON晶体结构出发，通过固溶取代在A/B位有目的地引入不同离子，构建AlON系尖晶石新晶体；基于第一性原理计算，阐明A/B位离子固溶对晶体结构及本征性质的影响，指导新型AlON系透明陶瓷的体系设计；以理论模拟结合实验研究，制备出具有设计组成与晶体结构的新型AlON系透明陶瓷；详细分析A/B位离子分布特征、系统评价材料性能，揭示离子引入对材料组成、结构和性能的影响规律，实现新型AlON系透明陶瓷的设计、制备与性能调控。通过本项目研究，预期在透明陶瓷新体系设计与制备、复杂尖晶石组成-晶体结构-本征性质关系、尖晶石型透明陶瓷性能调控等方面取得若干创新性成果，相关研究在基础理论和工程应用方面都具有重要意义

透明结构陶瓷兼具优异的光学透明性能和良好的机械性能，使它在国防和国民经济等领域均显现出巨大的应用需求和价值。本项目以A/B位金属离子固溶的新型AlON系尖晶石型透明陶瓷体系设计、制备与性能调控为主要研究内容，以揭示离子固溶对AlON系尖晶石组成、晶体结构和本征性质以及相应透明陶瓷机械、光学等性能的影响规律为主要研究目标。.项目组依据《项目任务书》以及研究工作计划的要求，超额完成了本项目的研究内容、全面达到了本项目的研究目标。建立了新型AlON系尖晶石组成-晶体结构-本征性质的第一性原理理论计算与键价理论预测新模型，揭示了A/B位金属离子固溶取代对材料组成、晶体结构的影响规律，确立了尖晶石型透明陶瓷新体系的设计原则；将第一性原理理论计算、MAS NMR与x射线Rietveld全谱拟合分析有机结合，发展出复杂尖晶石型化合物晶体结构解析的新方法；发展了尖晶石型透明陶瓷的胶态成型技术，为复杂形状、大尺寸透明陶瓷器件的可靠制备奠定了基础；系统研究了新型AlON系透明陶瓷的烧结动力学特征，建立了陶瓷组成-结构-性能关系，实现了尖晶石型透明陶瓷的设计、制备与性能调控；发展了稀土、过渡金属离子掺杂新型AlON系透明陶瓷及其制备技术，实现了尖晶石型透明陶瓷的光功能化。上述研究在透明陶瓷新体系设计与制备、复杂尖晶石晶体的组成-结构-本征性质关系、尖晶石型透明陶瓷性能调控等方面取得了若干创新性成果，相关研究在基础理论和工程应用方面都具有重要价值。