Publication Date
2025
Document Type
Thesis
Committee Members
Amir Farajian, Ph.D. (Advisor); Marina Ruggles-Wrenn, Ph.D. (Committee Member); Darryl Ahner, Ph.D., P.E. (Committee Member)
Degree Name
Master of Science in Materials Science and Engineering (MSMSE)
Abstract
Ultra-High Temperature Ceramics are a class of ceramics that possess high strength and melting points in excess of 3000°C. These ceramics are promising for aerospace applications, where materials need to endure high-temperature and high-stress environments. Utilizing ab initio simulations, this thesis research focuses on the atomistic details of oxidation for a typical ultra-high temperature ceramic material, namely hafnium diboride. The simulations provide energy barriers for transition from the initial to final structures via transition states on the (0 0 0 1) surface. These result in estimates for reaction rates and other thermodynamic features that are essential for assessing applicability under extreme aerospace conditions.
Page Count
66
Department or Program
Department of Mechanical and Materials Engineering
Year Degree Awarded
2025
Copyright
Copyright 2025, all rights reserved. My ETD will be available under the "Fair Use" terms of copyright law.
