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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

Open Access

Author:: Nandy, Ashis
Title:: Modeling Gas Purge and Three-phase Transients in a Polymer Electrolyte Fuel Cell
Graduate Program:: Mechanical Engineering
Keywords:: PEM Fuel Cell
Three-phase transients
Cold start
Gas purge
Catalyst layer
File:: Download Ashis_Nandy_dissertation.pdf
Committee Members:: Chao Yang Wang, Dissertation Advisor/Co-Advisor
Chao Yang Wang, Committee Chair/Co-Chair
Seungjin Kim, Committee Member
Daniel Connell Haworth, Committee Member
Michael John Janik, Committee Member

Open Access

Author:: Ji, Yan
Title:: Low-temperature Operation of Li-ion Batteries for Hybrid and Electric Vehicles
Graduate Program:: Mechanical Engineering
Keywords:: lithium
battery
electrochemistry
modeling
low temperature
electric vehicles
File:: Download YanJi_final.pdf
Committee Members:: Chao Yang Wang, Dissertation Advisor/Co-Advisor
Chao Yang Wang, Committee Chair/Co-Chair
Daniel Connell Haworth, Committee Member
Fan Bill B Cheung, Committee Member
Michael John Janik, Committee Member
Karen Ann Thole, Special Member

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

Open Access

Author:: Yoon, Kichul
Title:: Applications of the ReaxFF reactive force field towards chemomechanical and electrocatalytic systems
Graduate Program:: Mechanical Engineering
Keywords:: ReaxFF
reactive force field
irradiation of graphene
bombardment of graphene
defects in graphene
fracture of graphene
penetration of graphene
bismuth force field
nanopores
mechanical failure
File:: Download Kichul_Dissertation_final.pdf
Committee Members:: Adri van Duin, Dissertation Advisor/Co-Advisor
Adri van Duin, Committee Chair/Co-Chair
Md Amanul Haque, Committee Member
Donghai Wang, Committee Member
Michael John Janik, Outside Member

Open Access

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

Open Access

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

Open Access

Author:: Kim, Jinyong
Title:: Modeling Micro- and Macro-Scale Two-Phase Flow in 3D Flow Channels of Proton Exchange Membrane Fuel Cells
Graduate Program:: Mechanical Engineering
Keywords:: Fuel Cell
3D fine mesh
Flow-field
Water management
High current density
Mass transport
Two-phase flow
Modeling
PEMFC
File:: Download JinyongKim_PhD_Dissertation.pdf
Committee Members:: Chao-Yang Wang, Dissertation Advisor/Co-Advisor
Chao-Yang Wang, Committee Chair/Co-Chair
Daniel Connell Haworth, Committee Member
Sukwon Choi, Committee Member
Michael John Janik, Outside Member

Open Access

Author:: Shabnam, Sharmin
Title:: ReaxFF reactive force field investigations in combustion and nascent soot formation
Graduate Program:: Mechanical Engineering
Keywords:: ReaxFF
Combustion
Soot Formation
Pyrolysis and Oxidation
Molecular Dynamics Simulations
Inert Dilution
Nickel
Fuel Mixtures
File:: Download Dissertation_Sharmin_MAY2020.pdf
Committee Members:: Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
Adrianus C Van Duin, Committee Chair/Co-Chair
Richard A Yetter, Committee Member
Randy Lee Vander Wal, Committee Member
Michael John Janik, Outside Member
Karen Ann Thole, Program Head/Chair

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