Advancing the vibrational spectroscopy of silicate glasses

推进硅酸盐玻璃的振动光谱研究

基本信息

批准号：
EP/D06001X/1
负责人：
Gavin Mountjoy
金额：
$ 29.79万
依托单位：
University of Kent
依托单位国家：
英国
项目类别：
Research Grant
财政年份：
2006
资助国家：
英国
起止时间：
2006 至无数据
项目状态：
已结题

来源：
https://gtr.ukri.org/projects?ref=EP%2FD06001X%2F1
关键词：
Advancing vibrational spectroscopy silicate glasses

项目摘要

Throughout history people have used their knowledge of materials to improve their way of life. In current times we have very advanced materials which are used for many applications that may not always be obvious to the user. Advanced materials are required for ordinary things like computers, and not just in special applications like bullet-proof jackets. To develop more and better materials we need improved scientific tools for studying materials. One of the most important properties of a material is the arrangement of atoms inside it. For example, both diamond (hard, clear and valuable) and graphite (soft, black and in pencils) are made of carbon atoms, but with different arrangements. The progress of science has been aided by a continuing advance in the scientific tools for studying the atomic structure of materials. Two of the standard tools for this are diffraction and spectroscopy . Diffraction provides a way of directly measuring the positions of atoms inside a material, and is very widely used, but it requires X-rays or neutrons which are expensive to supply. Spectroscopy involves detecting changes in the states of atoms within a material, and inferring information about the positions of atoms from these changes. Spectroscopy can be done using infrared light which makes atoms vibrate (i.e. heat), and infrared light can be cheaply supplied using lasers. However, this vibrational spectroscopy is much more complicated to interpret than diffraction data. This is especially the case when studying glasses, which are materials that don't have a regular arrangement of atoms.This proposal will improve the use of vibrational spectroscopy as a tool for investigating the atomic structure of glasses, and it focuses on glasses made of silica (sand), which are the most common kind. To make these improvements, we will use different tools to measure the vibrational spectra (infrared and Raman spectroscopy, and inelastic neutron scattering). The results will be combined with predictions made by simulating the positions of atoms within the glasses (using a computer modelling technique called molecular dynamics ). Other scientists have previously used this approach with pure silica glass. Our proposal is important because we will look at silicate glasses which also contain metal atoms, and these are far more common in everyday life. For example, window glass contains silica and also sodium and calcium atoms, and these are the type of glasses we will study.

在整个历史中，人们都利用材料知识来改善自己的生活方式。在当前，我们有非常高级的材料，这些材料用于许多对用户可能并不总是显而易见的应用程序。普通物品（例如计算机）所需的高级材料，而不仅仅是在防弹外套等特殊应用中。为了开发更多更好的材料，我们需要改进研究材料的科学工具。材料中最重要的特性之一是原子内部的排列。例如，钻石（硬，透明和有价值）和石墨（柔软，黑色和铅笔）都是由碳原子制成的，但布置不同。科学的进步得到了研究材料原子结构的科学工具的持续进步。这两个标准工具是衍射和光谱。衍射提供了一种直接测量材料中原子位置的方法，并且非常广泛使用，但是它需要X射线或中子供应昂贵。光谱涉及检测材料内原子状态的变化，并从这些变化中推断出有关原子位置的信息。可以使用使原子振动（即热）的红外光进行光谱法，并且红外光可以使用激光廉价提供。但是，这种振动光谱比衍射数据要复杂得多。当研究玻璃杯（不是定期安排原子的材料）时，尤其是这种情况。此提案将改善振动光谱的使用作为研究玻璃的原子结构的工具，并且专注于二氧化硅（Sand）的玻璃，这是最常见的类型。为了进行这些改进，我们将使用不同的工具来测量振动光谱（红外和拉曼光谱以及非弹性中子散射）。结果将与通过模拟玻璃中原子的位置（使用称为Molecular Dynamics）的原子位置进行预测。其他科学家以前已经使用纯二氧化硅玻璃使用了这种方法。我们的建议很重要，因为我们将查看还包含金属原子的硅酸盐眼镜，并且在日常生活中更为普遍。例如，窗玻璃包含二氧化硅以及钠和钙原子，这些是我们将研究的玻璃类型。