Committee Chair

Barisik, Murat

Committee Member

Sreenivas, Kidambi; Ranjan, Reetesh

Department

Dept. of Mechanical Engineering

College

College of Engineering and Computer Science

Publisher

University of Tennessee at Chattanooga

Place of Publication

Chattanooga (Tenn.)

Abstract

This study investigates the decomposition mechanism of Methyl trichlorosilane during Silicon Carbide deposition from Chemical Vapor Infiltration to produce SiC-based ceramic matrix composites. High-performance applications require SiC-based materials; however, producing them presents difficulties due to limited deposition rates, high energy consumption, and uneven coatings. To overcome these challenges, the mechanism of SiC formation needed to be understood completely. Modeling surface reactions of decomposition on the substrate using Density Functional Theory is the key point of current research. By focusing on the adsorption, reaction, and desorption mechanisms that control SiC development, our method incorporates quantum mechanical models. Using Transition State Theory, the study examines reaction routes and identifies key intermediates, including methyl and other hydrocarbon species. The findings expand our knowledge of the rate-limiting steps in MTS breakdown and offer guidance for refining CVI/CVD procedures, which could increase material quality and deposition efficiency for cutting-edge engineering applications.

Acknowledgments

This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under award number DE-SC0024510. I am immensely grateful to my advisor, Dr. Murat Barisik, who has offered valuable guidance, support, and motivation throughout my graduate studies. His insight and intuition have shaped this work’s depth and scope. For their time, feedback, and encouragement, I am particularly thankful to my committee members, Drs. Kidambi Sreenivas and Reetesh Ranjan. I would specifically like to thank my teachers, friends, and colleagues in the Mechanical Engineering Department for their encouraging discussions and motivation. The facilities provided by the University of Tennessee at Chattanooga made this effort possible. I would like to offer my heartfelt thanks to my family for their unwavering encouragement and love.

Degree

M. S.; A thesis submitted to the faculty of the University of Tennessee at Chattanooga in partial fulfillment of the requirements of the degree of Master of Science.

Date

8-2025

Subject

Chemical vapor deposition; Density functionals; Silicon carbide--Thermal properties; Surface chemistry--Mathematical models

Keyword

Methyltrichlorosilane, Density Functional Theory, VASP, Transition state search, Molecular Dynamics, Quantum Mechanics, Chemistry, Surface Reaction

Document Type

Masters theses

DCMI Type

Text

Extent

xi, 67 leaves

Language

English

Rights

http://rightsstatements.org/vocab/InC/1.0/

License

http://creativecommons.org/licenses/by/4.0/

Date Available

1-1-2026

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Available for download on Thursday, January 01, 2026

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