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Author:

Li, Rong

Title:

Molecular Dynamic Simulation of Aluminum/Water Reaction Using Reactive Force Field

Graduate Program:

Mechanical Engineering

Keywords:

aluminum water reaction
reactive force field

File:

Download Thesis_Rong_Li.pdf

Committee Members:

Clinton Matthew Mench, Thesis Advisor/Co-Advisor
Matthew M Mench, Thesis Advisor/Co-Advisor
Adrianus C Van Duin, Thesis Advisor/Co-Advisor

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:

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