Search

Start Over Year 2016 Committee Member Michael John Janik Keyword ReaxFF

1. Multi-scale Atomistic Modeling for Electrocatalytic Applications

open_access
Open Access
Author:
Akhade, Sneha Anil
Title:
Multi-scale Atomistic Modeling for Electrocatalytic Applications
Graduate Program:
Chemical Engineering
Keywords:
electrocatalysis
DFT
ReaxFF
carbon dioxide electroreduction
electrokinetics
File:
Download Sneha_Akhade_PhDdissertation_final.pdf
Committee Members:
Michael John Janik, Dissertation Advisor/Co-Advisor
Michael John Janik, Committee Chair/Co-Chair
Phillip E Savage, Committee Member
Scott Thomas Milner, Committee Member
Adrianus C Van Duin, Outside Member
Janna Kay Maranas, Dissertation Advisor/Co-Advisor

2. 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