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.

纵观历史，人们一直利用他们的材料知识来改善他们的生活方式。目前，我们拥有非常先进的材料，可用于许多用户可能并不总是显而易见的应用。计算机等普通物品都需要先进材料，而不仅仅是防弹夹克等特殊应用。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。材料最重要的特性之一是其内部原子的排列。例如，金刚石（坚硬、透明且有价值）和石墨（柔软、黑色和铅笔状）都是由碳原子组成，但排列方式不同。研究材料原子结构的科学工具的不断进步促进了科学的进步。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内部原子位置的方法，并且应用非常广泛，但它需要 X 射线或中子，供应成本昂贵。光谱学涉及检测材料内原子状态的变化，并从这些变化推断有关原子位置的信息。光谱学可以使用使原子振动（即热量）的红外光来完成，并且可以使用激光廉价地提供红外光。然而，这种振动光谱的解释比衍射数据复杂得多。在研究玻璃时尤其如此，玻璃是一种没有规则原子排列的材料。该提案将改进振动光谱作为研究玻璃原子结构的工具的使用，重点关注由玻璃制成的玻璃二氧化硅（沙子），这是最常见的一种。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内原子位置（使用称为分子动力学的计算机建模技术）做出的预测相结合。其他科学家此前已将这种方法用于纯石英玻璃。我们的建议很重要，因为我们将研究也含有金属原子的硅酸盐玻璃，而这些在日常生活中更为常见。例如，窗玻璃含有二氧化硅以及钠和钙原子，这些是我们将研究的玻璃类型。