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Author:

Hatzell, Marta Catherine

Title:

Electrochemical Energy Generation from Natural and Synthetic Salinity Gradients using Reverse Electrodialysis and Capacitive Mixing

Graduate Program:

Mechanical Engineering

Keywords:

Salinity Gradient Energy
Reverse Electrodialysis
Capacitive Mixing
Electrochemical Conversion
Hydrogen
Capacitor

File:

Download MartaHatzell_Dissertation08042014.pdf

Committee Members:

Bruce Ernest Logan, Dissertation Advisor/Co-Advisor
Adrianus C Van Duin, Committee Member
Chao Yang Wang, Committee Member
Michael Anthony Hickner, Committee Member

Author:

Parsons, Neal S

Title:

Improved Molecular Collision Models for Nonequilibrium Rarefied Gases

Graduate Program:

Aerospace Engineering

Keywords:

Rarefied Gases
Direct Simulation Monte Carlo
Nonequilibrium Gases
Reacting Flows
Hypersonics
Planetary Science

File:

Download ParsonsDissertation.pdf

Committee Members:

Deborah A Levin, Dissertation Advisor/Co-Advisor
Adrianus C Van Duin, Committee Member
Michael Matthew Micci, Committee Member
Michael John Janik, Committee Member

Author:

Goverapet Srinivasan, Sriram

Title:

Hyperthermal Oxidation and Pyrolysis of Carbon based Materials: Chemistry and Dynamics using the Reaxff Reactive Force Field

Graduate Program:

Mechanical Engineering

Keywords:

ReaxFF
Graphite oxidation
Diamond oxidation
Fullerene fragmentation
Gas surface interaction
hyperthermal etching

File:

Download Sriram_thesis.pdf

Committee Members:

Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
Zoubeida Ounaies, Committee Member
Randy Lee Vander Wal, Committee Member
Lasse Jensen, Committee Member

Author:

Huang, Chung-hsuan

Title:

Soot nanostructure evolution from gas turbine engine, premixed and diffusion flame: Equivalence ratio, flame temperature, and fuel dependencies.

Graduate Program:

Energy and Mineral Engineering

Keywords:

Soot nanostructrue
AAFEX II
Premixed flame
diffusion
bunsen
SERDP
ChemKin
fullerenic soot
curvature
cyclopentadiene.

File:

Download 2014-12-1-Final-Chung-Hsuan_Huang_Thesis.1.pdf

Committee Members:

Randy Vander Wal, Dissertation Advisor/Co-Advisor
Randy Vander Wal, Committee Chair/Co-Chair
Andre Louis Boehman, Committee Member
Adrianus C Van Duin, Special Member
Thomas Litzinger, Special Member

Author:

Zou, Chenyu

Title:

Development and Application of the ReaxFF Potential for Heterogeneous Catalysis and Metal Oxidation: Toward the Dynamic Sampling of Large Free Energy Surface

Graduate Program:

Mechanical Engineering

Keywords:

ReaxFF
Heterogeneous Catalysis
Metal Oxidation and Diffusion

File:

Download mythesis.pdf

Committee Members:

Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
Adrianus C Van Duin, Committee Chair/Co-Chair
Michael John Janik, Committee Member
Donghai Wang, Committee Member
Lasse Jensen, Committee Member

Author:

Raju, Muralikrishna

Title:

Applications of Molecular Dynamics, Monte Carlo and Metadynamics Simulations using ReaxFF Reactive Force Fields to Fluid/Solid Interfaces

Graduate Program:

Physics

Keywords:

Computational Chemistry
ReaxFF Reactive Force Fields
Fluid/Solid Interfaces
Titania-Water Interactions
Li/C ReaxFF

File:

Download Muralikrishna_Raju_Dissertation.pdf

Committee Members:

Kristen Ann Fichthorn, Committee Chair/Co-Chair
Adrianus C Van Duin, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Milton Walter Cole, Committee Member
James David Kubicki, Committee Member

Author:

Dean, Steven Wesley

Title:

Energetic Intermetallic Materials Formed by Cold Spray

Graduate Program:

Mechanical Engineering

Keywords:

Cold Spray
Intermetallic
Energetic Material
Nickel
Aluminum
Combustion Synthesis
Additive Manufacturing

File:

Download SWD_Dissertation.pdf

Committee Members:

Richard A Yetter, Dissertation Advisor/Co-Advisor
Stephen R Turns, Committee Member
Adrianus C Van Duin, Committee Member
James Hansell Adair, Committee Member
Timothy John Eden, Special Member

Author:

Senftle, Thomas Patrick

Title:

Development of Multi-scale Computational Methods for Modeling Phase Formation in Pd-Based Catalysts

Graduate Program:

Chemical Engineering

Keywords:

Catalysis
DFT
ReaxFF
Palladium
Ceria

File:

Download Senftle_Dissertation_Final.pdf

Committee Members:

Michael John Janik, Dissertation Advisor/Co-Advisor
Michael John Janik, Committee Chair/Co-Chair
Adrianus C Van Duin, Committee Chair/Co-Chair
Robert Martin Rioux Jr., Committee Member
Scott Thomas Milner, Committee Member

Author:

Gaddam, Chethan Kumar

Title:

Electron Microscopic and Spectroscopic Characterization for Soot Source Differentiation by Laser Derivatization

Graduate Program:

Energy and Mineral Engineering

Keywords:

SSILD
HRTEM
pulsed laser heating
soot source identification
partial graphitization
radial profile analysis

File:

Download Gaddam_Chethan_Dissertation.pdf

Committee Members:

Randy Lee Vander Wal, Dissertation Advisor/Co-Advisor
Randy Lee Vander Wal, Committee Chair/Co-Chair
Andre Louis Boehman, Committee Member
Jonathan P Mathews, Committee Member
Adrianus C Van Duin, Committee Member

Author:

Zhu, Tong

Title:

Modeling of Energy Transfer in Hypersonic Shocks using High Fidelity Models

Graduate Program:

Aerospace Engineering

Keywords:

DIRECT SIMULATION MONTE CARLO
HYPERSONIC SHOCK FLOWS
NONEQUILIBRIUM FLOWS
RADIATION FROM SHOCKS
RELAXATIONS OF NITROGEN

File:

Download Modeling_of_Energy_Transfer_in_Hypersonic_Shocks_using_High_Fidelity_Models.pdf

Committee Members:

Deborah Levin, Dissertation Advisor/Co-Advisor
Deborah Levin, Committee Chair/Co-Chair
Cengiz Camci, Committee Member
Michael Matthew Micci, Committee Member
Adrianus C Van Duin, Committee Member
Marco Panesi, Special Member