Structure and Dynamics of High T Liquids in the CMAS System

这项研究旨在研究原子水平 液体和玻璃的结构和动力学性质 CaO-MgO-Al_2O_3-SiO_2系统，利用NMR 和振动（IR和拉曼）光谱，以及分子 动力学仿真 这项工作的主要目标是 表征原子数量和类型的变化 构型，特别是Si和Al配位，以及 检查下一个最近的邻居环境中存在的 液体作为组成和温度的函数。 这 研究应该增加对温度的理解-和 天然岩浆的成分依赖行为 火成过程

The proposed research is designed to study the atomic level structures and dynamic properties of liquids and glasses in the system CaO-MgO-Al2O3-SiO2, using a combination of NMR and vibrational (IR and Raman) spectroscopies, and molecular dynamics simulations. The main objective of this work is to characterize the variation in number and type of atomic configurations, especially the Si and Al coordinations, and to examine next-nearest neighbor environments present in the liquids as a function of composition and temperature. This study should increase understanding of the temperature- and composition-dependent behavior of natural magmas during igneous processes.