Investigating the structure of novel fluoride-containing bioactive glasses for dental applications

We propose to study a range of novel fluorine-containing bioactive glasses with potential applications in dentistry and orthopaedics. At present little is known about the atomic structure of these materials and how it impacts the macroscopic properties. This proposal aims to undertake neutron diffraction studies on these glasses as part of a wider series of structural studies. In order to model and predict the behaviour of these materials and optimise dissolution and selective ion release it is important to understand the connections between the glass composition, its atomic structure and relevant macroscopic properties such as glass degradation and apatite formation in solution. We therefore propose to undertake a detailed study of these materials using a combination of neutron and X-ray diffraction and molecular dynamics modelling.本研究拟针对一系列具备牙科与骨科潜在应用价值的新型含氟生物活性玻璃展开探究。目前学界对这类材料的原子结构及其对宏观性能的影响机制尚缺乏充分认知。本项目拟将此类玻璃的中子衍射（neutron diffraction）研究纳入更广泛的结构研究体系当中。为实现该类材料行为的建模与预测，并优化其溶解过程与选择性离子释放特性，明确玻璃成分、原子结构与玻璃降解、溶液中磷灰石形成等相关宏观性能之间的关联至关重要。因此，本研究拟结合中子衍射、X射线衍射（X-ray diffraction）与分子动力学模拟（molecular dynamics modelling）技术，对这类材料开展系统性深入研究。