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Start Over Graduate Program Mechanical Engineering Committee Member Adri van Duin

1. Applications of the ReaxFF reactive force field towards chemomechanical and electrocatalytic systems

open_access
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

3. Chemical kinetic investigation of the thermal decomposition of energetic materials: ammonia borane, ammonium perchlorate & hmx-tagzt

open_access
Open Access
Author:
Chatterjee, Tanusree
Title:
Chemical kinetic investigation of the thermal decomposition of energetic materials: ammonia borane, ammonium perchlorate & hmx-tagzt
Graduate Program:
Mechanical Engineering
Keywords:
Ammonia borane
Quantum mechanics
Hydrogen release
Reaction pathway
perchloric acid
oxygen release
numerical simulation
HMX
TAGzT
TGA
FTIR
thermal decomposition
nitramine-based energetic materials
File:
Download Tanusree_Chatterjee_Dissertation_final2.pdf
Committee Members:
Stefan Thynell, Dissertation Advisor/Co-Advisor
Stefan Thynell, Committee Chair/Co-Chair
Adri van Duin, Committee Member
Jacqueline O’Connor, Committee Member
Joseph F. Horn, Outside Member
Daniel Connell Haworth, Program Head/Chair