Simulated Characterization of Infrared Ceramics: Workflow Development and Experimental Comparison

Author(s):

Cassidy M. Atkinson and Matthew Guziewski

Abstract:

Characterization is a crucial step in materials development research to understand the structure and behavior of materials. This study focuses on utilizing density functional theory to develop simulated characterization methods, such as X-ray diffraction, IR spectroscopy, and Raman spectroscopy. Examples of each are given to show how these techniques may be useful to speed material processing and development.