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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

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:

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:

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:

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