Grandinetti is supported by the Experimental Physical Chemistry Program to study non-crystalline silicate glasses using NMR spectroscopy. The primary objectives of this project are (1) to apply two-dimensional solid-state NMR methodologies in the measurement of structural distributions in silicate glasses, and (2) to develop oxygen-17 solid-state NMR as a probe of oxygen coordination number and geometry in silicate materials. The increased understanding of the structure of network modified silicate glasses that will emerge from this work is expected to help refine potential functions used for molecular dynamics simulations of silicates, to assist in confirming structural thermodynamic models of silicate glasses and melts, to improve understanding of ionic transport, and to increase the utility of oxygen-17 NMR as a probe of related systems such as ceramics, catalysts, and biopolymers. The characteristics of non-crystalline materials can be varied by adjusting their compositions, an advantage in the design and preparation of materials with controllable properties. The structure/property relationships in non-crystalline materials, however, need to be understood better in order to facilitate design strategies for materials with predictable features. The combined experimental and computational study of glassy materials in this project will enhance the knowledge base for materials development, and impact as well on fields such as inorganic geochemistry and waste containment glass technology.
