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Start Over Committee Member Adrianus C Van Duin

21. 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

22. 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

23. 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

24. Multiscale Chemo-mechanical Mechanics of High-capacity Anode Materials in Lithium-ion Nano-batteries

open_access
Open Access
Author:
Yang, Hui
Title:
Multiscale Chemo-mechanical Mechanics of High-capacity Anode Materials in Lithium-ion Nano-batteries
Graduate Program:
Engineering Science and Mechanics
Keywords:
Lithium-ion battery
Anode materials
Chemomechanical modeling
Diffusion
Orientation-dependent interfacial mobility
Fracture
File:
Download MULTISCALE_CHEMO-MECHANICAL_MECHANICS_OF_HIGH-CAPACITY_ANODE_MATERIALS_IN_LITHIUM-ION_NANO-BATTERIES.pdf
Committee Members:
Sulin Zhang, Dissertation Advisor/Co-Advisor
Sulin Zhang, Committee Chair/Co-Chair
Charles E Bakis, Committee Member
Long Qing Chen, Committee Member
Adrianus C Van Duin, Committee Member

26. Development of Structure-property Relationships for Intrinsically Microporous Polymers through Molecular Simulations

open_access
Open Access
Author:
Hart, Kyle E
Title:
Development of Structure-property Relationships for Intrinsically Microporous Polymers through Molecular Simulations
Graduate Program:
Materials Science and Engineering
Keywords:
Molecular Simulation
Polymers of intrinsic microporosity
carbon dioxide adsorption
gas separation
PIMs
File:
Download Hart-Dissertation.pdf
Committee Members:
Coray M Colina, Dissertation Advisor/Co-Advisor
William George Noid, Committee Member
James Patrick Runt, Committee Member
Adrianus C Van Duin, Committee Member

27. 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

28. 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

29. Cleanup of Biomass Gasification Effluent Using M-doped Ceria Catalysts

open_access
Open Access
Author:
Krcha, Matthew David
Title:
Cleanup of Biomass Gasification Effluent Using M-doped Ceria Catalysts
Graduate Program:
Chemical Engineering
Keywords:
Density Functional Theory
Catalysis
Ceria
Dopant
Hydrocarbon
Sulfur
File:
Download MatthewKrchaDissertation.pdf
Committee Members:
Michael John Janik, Dissertation Advisor/Co-Advisor
Michael John Janik, Committee Chair/Co-Chair
Robert Martin Rioux Jr., Committee Member
Scott Thomas Milner, Committee Member
Adrianus C Van Duin, Committee Member

30. Use of Advanced Particle Methods in Modeling Space Propulsion and its Supersonic Expansions

open_access
Open Access
Author:
Borner, Arnaud
Title:
Use of Advanced Particle Methods in Modeling Space Propulsion and its Supersonic Expansions
Graduate Program:
Aerospace Engineering
Keywords:
Molecular Dynamics
Water
Electrospray
DSMC
Electric Field
Ionic Liquid
Coarse-Grained
File:
Download AB-Dissertation.pdf
Committee Members:
Deborah A Levin, Dissertation Advisor/Co-Advisor
Adrianus C Van Duin, Committee Member
Barbara Jane Garrison, Committee Member
Dennis K Mc Laughlin, Committee Member