Structure and Dynamics of High T Liquids in the CMAS System

该研究旨在结合核磁共振和振动（红外和拉曼）光谱以及分子动力学模拟，研究 CaO-MgO-Al2O3-SiO2 系统中液体和玻璃的原子级结构和动态特性。 这项工作的主要目的是表征原子构型的数量和类型的变化，特别是硅和铝的配位，并检查液体中存在的下一个最近邻环境作为成分和温度的函数。 这项研究应该增加对火成岩过程中天然岩浆与温度和成分相关的行为的理解。

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.