Structure and Dynamics of High T Liquids in the CMAS System

这项研究旨在利用核磁共振和振动(红外和拉曼)光谱和分子动力学模拟相结合的方法，研究CaO-MgO-Al_2O_3-SiO_2系统中液体和玻璃的原子能级结构和动力学性质。这项工作的主要目标是表征原子组态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次最近邻环境作为组成和温度的函数。这项研究应该会增加对自然岩浆在火成过程中与温度和成分有关的行为的理解。

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.