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Start Over Graduate Program Mechanical Engineering Committee Member Adrianus C Van Duin

1. APPLICATION OF REAXFF BASED REACTIVE MOLECULAR DYNAMICS TO SIMULATE LASER INDUCED INCANDESCENCE OF SOOT AND CHAR OXIDATION

open_access
Open Access
Author:
Kamat, Amar
Title:
APPLICATION OF REAXFF BASED REACTIVE MOLECULAR DYNAMICS TO SIMULATE LASER INDUCED INCANDESCENCE OF SOOT AND CHAR OXIDATION
Graduate Program:
Mechanical Engineering
Keywords:
laser induced incandescence
soot
reaxff
molecular dynamics
accommodation coefficients
File:
Download Kamat_Thesis_Feb7.pdf
Committee Members:
Prof Adri Van Duin, Thesis Advisor/Co-Advisor
Adrianus C Van Duin, Thesis Advisor/Co-Advisor

3. Influence of Strain on the Physical Properties of Materials at the Nanoscale

open_access
Open Access
Author:
Manoharan, Mohan Prasad
Title:
Influence of Strain on the Physical Properties of Materials at the Nanoscale
Graduate Program:
Mechanical Engineering
Keywords:
Nanoscale
multi domain coupling
size effect
thermal conductivity
electrical conductivity
bandgap
crystallization
File:
Download Manoharan_999805608.pdf
Committee Members:
Md Amanul Haque, Dissertation Advisor/Co-Advisor
Aman Haque, Committee Chair/Co-Chair
Alok Sinha, Committee Member
Adrianus C Van Duin, Committee Member
Jun Huang, Committee Member

5. APPLICATION OF THE REAXFF MOLECULAR SIMULATION METHOD FOR INVESTIGATING HYPERGOLICITY OF ENERGETIC IONIC LIQUIDS

open_access
Open Access
Author:
Singhai, Shashank
Title:
APPLICATION OF THE REAXFF MOLECULAR SIMULATION METHOD FOR INVESTIGATING HYPERGOLICITY OF ENERGETIC IONIC LIQUIDS
Graduate Program:
Mechanical Engineering
Keywords:
ionic liquid
energetic
hypergolic
simulation
Reaxff
molecular dynamics
combustion
File:
Download S_Singhai-MSThesis-Fall2010.pdf
Committee Members:
Prof Adri Van Duin, Thesis Advisor/Co-Advisor
Adrianus C Van Duin, Thesis Advisor/Co-Advisor

7. Processing Energetic Materials with Supercritical Fluid Precipitation Techniques

open_access
Open Access
Author:
Essel, Jonathan Thomas
Title:
Processing Energetic Materials with Supercritical Fluid Precipitation Techniques
Graduate Program:
Mechanical Engineering
Keywords:
energetic materials
supercritical fluids
nanotechnology
RESS process
File:
Download Jonathan_Essel_Final_Thesis__all_color__with_vita.pdf
Committee Members:
Kenneth K Kuo, Dissertation Advisor/Co-Advisor
Kenneth K Kuo, Committee Chair/Co-Chair
James Hansell Adair, Committee Member
Richard A Yetter, Committee Member
Stefan Thynell, Committee Member
Adrianus C Van Duin, Committee Member

8. Development and application of Reaxff reactive force field for hydrocarbon cracking on an aluminosilicate zeolite catalyst

open_access
Open Access
Author:
Joshi, Kaushik
Title:
Development and application of Reaxff reactive force field for hydrocarbon cracking on an aluminosilicate zeolite catalyst
Graduate Program:
Mechanical Engineering
Keywords:
molecular dynamics
reactive force field
hydrocarbon cracking
File:
Download Kaushik_Thesis.pdf
Committee Members:
Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
Richard A Yetter, Committee Member
Md Amanul Haque, Committee Member
Michael John Janik, Committee Member

9. An Experimental Study of Flame Response Mechanisms in a Lean-premixed Gas Turbine Combustor

open_access
Open Access
Author:
Peluso, Stephen
Title:
An Experimental Study of Flame Response Mechanisms in a Lean-premixed Gas Turbine Combustor
Graduate Program:
Mechanical Engineering
Keywords:
combustion instability
flame response
flame dynamics
flame transfer function
flame response mechanisms
gas turbine
File:
Download Stephen_Peluso.pdf.pdf
Committee Members:
Domenic Adam Santavicca, Dissertation Advisor/Co-Advisor
Domenic Adam Santavicca, Committee Chair/Co-Chair
Robert John Santoro, Committee Member
Stephen R Turns, Committee Member
Adrianus C Van Duin, Committee Member
Randy Lee Vander Wal, Committee Member

10. Computational Exploration of High Power Operation in Porous Flow Field Polymer Electrolyte Fuel Cells with a Validated Model

open_access
Open Access
Author:
Zheng, Lijuan
Title:
Computational Exploration of High Power Operation in Porous Flow Field Polymer Electrolyte Fuel Cells with a Validated Model
Graduate Program:
Mechanical Engineering
Keywords:
polymer electrolyte fuel cell
porous flow field
multi-phase model
high power density operation
anode dry-out
net water drag
File:
Download Final_Dissertation_03_05_2013.pdf
Committee Members:
Matthew M Mench, Dissertation Advisor/Co-Advisor
Adrianus C Van Duin, Committee Chair/Co-Chair
Jack Brenizer Jr., Committee Member
John Michael Regan, Committee Member

11. Development Of A Reaxff Reactive Force Field For Titanium Dioxide/ Water Systems And Its Applications To Etching, Nanoparticles With Organic Solvents And Ion Adsorptions On Nanocrystalline Surfaces

open_access
Open Access
Author:
Kim, Sung-yup
Title:
Development Of A Reaxff Reactive Force Field For Titanium Dioxide/ Water Systems And Its Applications To Etching, Nanoparticles With Organic Solvents And Ion Adsorptions On Nanocrystalline Surfaces
Graduate Program:
Mechanical Engineering
Keywords:
ReaxFF
Reactive force field
titanium dioxide
nanoparticle
File:
Download Ph_D_Thesis_Sung-Yup_13Mar13.pdf
Committee Members:
Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
James David Kubicki, Committee Chair/Co-Chair
Richard A Yetter, Committee Member
Donghai Wang, Committee Member
Jorge Osvaldo Sofo, Committee Member

12. experimental studies on condensed-phase interactions of hypergolic propellants

open_access
Open Access
Author:
Wang, Shiqing
Title:
experimental studies on condensed-phase interactions of hypergolic propellants
Graduate Program:
Mechanical Engineering
Keywords:
Hypergolic propellant; Monomethylhydrazine; Tetramethylethylened
File:
Download Shiqing_Wangs_PhD_Thesis.pdf
Committee Members:
Stefan Thynell, Dissertation Advisor/Co-Advisor
Richard A Yetter, Committee Member
Adrianus C Van Duin, Committee Member
James Hansell Adair, Committee Member

13. development of high-energy cathode materials for lithium-sulfur batteries

open_access
Open Access
Author:
Xu, Tianren
Title:
development of high-energy cathode materials for lithium-sulfur batteries
Graduate Program:
Mechanical Engineering
Keywords:
rechargeable batteries
lithium sulfur batteries
porous carbon
adsorption
nanostructures
File:
Download TianrenXu_dessertation_submission.pdf
Committee Members:
Donghai Wang, Dissertation Advisor/Co-Advisor
Christopher Rahn, Committee Member
Adrianus C Van Duin, Committee Member
Qing Wang, Committee Member

15. The Hydrodynamics and Transport Phenomena of Olfaction in the Hammerhead Shark (sphyrna tudes): Implications for Bio-inspired Chemical Sensing

open_access
Open Access
Author:
Rygg, Alex Dale
Title:
The Hydrodynamics and Transport Phenomena of Olfaction in the Hammerhead Shark (sphyrna tudes): Implications for Bio-inspired Chemical Sensing
Graduate Program:
Mechanical Engineering
Keywords:
Olfaction
Computational Fluid Dynamics
Mass Transport
Chemical Sensing
Hammerhead Shark
File:
Download AlexRygg_Dissertation.pdf
Committee Members:
Brent Craven, Dissertation Advisor/Co-Advisor
Brent Craven, Committee Chair/Co-Chair
Eric Paterson, Committee Chair/Co-Chair
John Michael Cimbala, Committee Member
Robert Francis Kunz, Committee Member
Gary Stuart Settles, Committee Member
Adrianus C Van Duin, Committee Member

16. Molecular dynamics analysis of oxidation, segregation and stress corrosion failures of refractory alloys

open_access
Open Access
Author:
Verners, Osvalds
Title:
Molecular dynamics analysis of oxidation, segregation and stress corrosion failures of refractory alloys
Graduate Program:
Mechanical Engineering
Keywords:
oxidation
segregation
stress corrosion cracking
hydrogen embrittlement
alloys
File:
Download dissertation_Verners.pdf
Committee Members:
Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
Adrianus C Van Duin, Committee Chair/Co-Chair
Md Amanul Haque, Committee Member
Zoubeida Ounaies, Committee Member
Sulin Zhang, Committee Member

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

open_access
Open Access
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

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

open_access
Open Access
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

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

open_access
Open Access
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

20. Energetic Intermetallic Materials Formed by Cold Spray

open_access
Open Access
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