Disorder and Dynamics in Silicate and Aluminosilicate Liquids, Glasses, and Crystals Relevant to Geochemical Processes: Nuclear Magnetic Resonance Studies

该项目的总体目标是更好地理解并最终能够预测热力学和输运性质，从而最终控制涉及结晶、玻璃和熔融硅酸盐材料的复杂地质过程。所提出的研究方法是确定需要中短程结构的关键细节并可以通过光谱学阐明的重要问题，在适当简化的系统中进行精确测量，并确定结果对基本参数（如构型熵，自由能，组分活度，扩散率和粘度）的影响。主要的研究工具将继续是固态核磁共振（NMR），它在测量硅酸盐和氧化物的无序和动态的程度和性质方面特别有用。本研究将成为几位博士研究生科学训练的重要组成部分，并与材料科学、物理化学和无序系统物理学等其他领域密切相关。

The overall goal of this project is to better understand, and eventually to be able to predict, the thermodynamic and transport properties that ultimately control complex geological processes involving crystalline, glassy and molten silicate materials. The approach taken in the proposed research is to identify important problems where critical details of short- to intermediate-range structure are needed and can be elucidated by spectroscopy, make accurate measurements in appropriately simplified systems, and determine the consequences of the results for fundamental parameters such as configurational entropy, free energy, component activities, diffusivity, and viscosity. The primary research tool will continue to be solid-state Nuclear Magnetic Resonance (NMR), which is particularly useful for measuring the extent and nature of disorder and dynamics in silicates and oxides. This research will be a critical part of the scientific training of several Ph.D. students, and has close ties to other fields such as materials science, physical chemistry, and the physics of disordered systems.