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Author:

Shah, Yash Girish

Title:

Dominant Interscale Dynamics in Premixed Turbulent Combustion for Application to Large-Eddy Simulation

Graduate Program:

Mechanical Engineering

Keywords:

Large-Eddy Simulation
Premixed Turbulent Flames
Chemical Reaction Rates
Interscale Interactions
Direct Numerical Simulation
Combustion Modeling

File:

Download Shah_ME_Thesis_final-12Apr21.pdf

Committee Members:

Yuan Xuan, Dissertation Advisor/Co-Advisor
Yuan Xuan, Committee Chair/Co-Chair
Daniel Connell Haworth, Committee Member
Jacqueline Antonia O'Connor, Committee Member
Xiaofeng Liu, Outside Member
James Gordon Brasseur, Dissertation Co-Advisor
Daniel Connell Haworth, Program Head/Chair

Author:

Zhu, Wenbo

Title:

Atomistic-Level Investigation for Selected Metal-based Catalytic Reactions Utilizing the REAXFF Reactive Force Field

Graduate Program:

Mechanical Engineering (PHD)

Keywords:

ReaxFF
Molecular Dynamics Simulation
Energy Production

File:

Download PhD_Dissertation_Wenbo_Zhu_final_version.pdf

Committee Members:

Yuan Xuan, Major Field Member
Adri van Duin, Chair & Dissertation Advisor
Richard Yetter, Major Field Member
Chunshan Song, Outside Unit & Field Member
Daniel Connell Haworth, Professor in Charge/Director of Graduate Studies

Author:

Lele, Aditya

Title:

STUDY OF REACTION DRIVEN PROCESSES USING MOLECULAR DYNAMICS: APPLICATIONS OF REAXFF FOR COMBUSTION CHEMISTRY AND MATERIAL SYNTHESIS

Graduate Program:

Mechanical Engineering (PHD)

Keywords:

ReaxFF
Molecular Dynamics
Combustion
2D-materials
Biofuels
CVD
Material synthesis
hBN
soot
pyrolysis

File:

Download Thesis_aditya_lele.pdf

Committee Members:

Jacqueline O'Connor, Major Field Member
Randy Vander Wal, Outside Unit & Field Member
Yuan Xuan, Major Field Member
Adri van Duin, Chair, Minor Member & Dissertation Advisor
Daniel Connell Haworth, Program Head/Chair