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Author:

Togai, Kuninori

Title:

Kinetic Modeling and Sensitivity Analysis of Plasma-assisted Combustion

Graduate Program:

Mechanical Engineering

Keywords:

plasma-assisted combustion
low-temperature combustion
chemical kinetics
plasma chemistry
nonequilibrium plasma

File:

Download Dissertation_Togai.pdf

Committee Members:

Richard A Yetter, Dissertation Advisor/Co-Advisor
Richard A Yetter, Committee Chair/Co-Chair
Thomas Litzinger, Committee Member
Adrianus C Van Duin, Committee Member
Randy Lee Vander Wal, Committee Member

Author:

Yeon, Jejoon

Title:

Development of a ReaxFF reactive force field for silicon/oxygen/hydrogen/fluorine interactions and applications to hydroxylation and friction.

Graduate Program:

Mechanical Engineering

Keywords:

friction
tribology
tribochemistry
computational chemistry
reactive molecular dynamics
ReaxFF
MD

File:

Download 20160202_JejoonYeon_PhD_Dissertation_final.pdf

Committee Members:

Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
Adrianus C Van Duin, Committee Chair/Co-Chair
Md Amanul Haque, Committee Member
Liming Chang, Committee Member
Seong Han Kim, Committee Member
James David Kubicki, Special Member

Author:

Sim, Hyung Sub

Title:

Understanding the role of multifunctional nanoengineered particulate additives on supercritical pyrolysis and combustion of hydrocarbon fuels/propellants

Graduate Program:

Mechanical Engineering

Keywords:

Supercritical Pyrolysis
Supercritical Combustion
Particulate Fuel Additives
Graphene
Platinum Nanoparticles
Hydrocarbons

File:

Download Hyung_Sub_Sim_-_Final_PhD_Thesis_May_2016.pdf

Committee Members:

Richard A Yetter, Dissertation Advisor/Co-Advisor
Richard A Yetter, Committee Chair/Co-Chair
Domenic Adam Santavicca, Committee Member
Adrianus C Van Duin, Committee Member
Robert Martin Rioux Jr., Committee Member

Author:

Rahnamoun, Ali

Title:

STUDY OF PERFORMANCE AND CHARACTERISTICS OF MATERIALS UNDER EXTREME ENVIRONMENT USING THE REAXFF REACTIVE MOLECULAR DYNAMICS SIMULATIONS

Graduate Program:

Mechanical Engineering

Keywords:

Molecular Dynamics
ReaxFF
Material Simulation
Extreme Environment

File:

Download thesis_revised_after_defense.pdf

Committee Members:

Adrianus C Van Duin, Dissertation Advisor/Co-Advisor

Author:

Islam, Md Mahbubul

Title:

Reactive Molecular Dynamics Simulations of Lithium Secondary Batteries - Interfaces and Electrodes

Graduate Program:

Mechanical Engineering

Keywords:

eReaxFF
ReaxFF
Reactive molecular dynamics
Solid eletrolyte interphase
Lithium-sulfur battery
Lithium-ion battery

File:

Download dissertation_Mahbub.pdf

Committee Members:

Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
Adrianus C Van Duin, Committee Chair/Co-Chair
Donghai Wang, Committee Member
Hosam Kadry Fathy, Committee Member
Lasse Jensen, Outside Member

Author:

Li, Yubai

Title:

Modeling Pt and Catalyst Layer Degradation in Polymer Electrolyte Fuel Cells

Graduate Program:

Mechanical Engineering

Keywords:

Polymer Electrolyte Fuel Cells
Durability
Catalyst Degradation

File:

Download Yubai_Dissertation_Submission.pdf

Committee Members:

Chao-Yang Wang, Dissertation Advisor/Co-Advisor
Chao-Yang Wang, Committee Chair/Co-Chair
Donghai Wang, Committee Member
Adrianus C Van Duin, Committee Member
Michael John Janik, Outside Member

Author:

Yu, Zhaoxin

Title:

DEVELOPMENT OF ADVANCED ANODE MATERIALS AND SOLID-STATE ELECTROLYTES FOR SODIUM-ION BATTERY

Graduate Program:

Mechanical Engineering

Keywords:

Sodium ion battery
red phosphorus
solid state electrolyte
solid state battery
anode

File:

Download Ph.D_Thesis-Zhaoxin_Yu_final.pdf

Committee Members:

Donghai Wang, Dissertation Advisor/Co-Advisor
Donghai Wang, Committee Chair/Co-Chair
Adrianus C Van Duin, Committee Member
Zi-Kui Liu, Committee Member
Thomas E Mallouk, Outside Member
Sulin Zhang, Outside Member

Author:

Hudson, Robert Benjamin

Title:

Vibration of Carbon Nanotubes with Defects and Their Composites: Reduced-Order Model and Damping

Graduate Program:

Mechanical Engineering

Keywords:

carbon nanotube
defect
vibration
phonon
composite
order reduction

File:

Download Hudson_Robert_Dissertation.pdf

Committee Members:

Alok Sinha, Dissertation Advisor/Co-Advisor
Alok Sinha, Committee Chair/Co-Chair
Reuben H Kraft, Committee Member
Adrianus C Van Duin, Committee Member
Mauricio Terrones Maldonado, Outside Member

Author:

Jain, Abhishek

Title:

Multi-Scale Investigations in Soot Formation and Chemical Vapor Deposition

Graduate Program:

Mechanical Engineering

Keywords:

Multi-scale
Soot formation
Chemical Vapor Deposition
simulation
nanomaterials

File:

Download AJ-Dissertation.pdf

Committee Members:

Yuan Xuan, Dissertation Advisor/Co-Advisor
Adrianus C Van Duin, Committee Chair/Co-Chair
Daniel Connell Haworth, Committee Member
Richard A Yetter, Committee Member
Michael John Janik, Outside Member

Author:

Zhang, Kaiqiang

Title:

THERMAL DECOMPOSITION MECHANISM OF AQUEOUS HYDROXYLAMMONIUM NITRATE

Graduate Program:

Mechanical Engineering

Keywords:

Energetic Material
Computational Chemistry
Molecular Dynamics
Hydroxylammonium Nitrate
Thermal Decomposition

File:

Download HAN_decomposition_Dissertation_Kaiqiang_Zhang_V6.pdf

Committee Members:

Stefan Thynell, Dissertation Advisor/Co-Advisor
Stefan Thynell, Committee Chair/Co-Chair
Richard A Yetter, Committee Member
Adrianus C Van Duin, Committee Member
Michael Matthew Micci, Outside Member