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Start Over Graduate Program Mechanical Engineering Keyword Combustion Keyword ReaxFF

1. DEVELOPMENT AND APPLICATIONS OF REAXFF REACTIVE FORCE FIELD SIMULATIONS IN COMBUSTION: FROM KINETICS TO DYNAMICS

open_access
Open Access
Author:
Ashraf, Chowdhury Mahbub
Title:
DEVELOPMENT AND APPLICATIONS OF REAXFF REACTIVE FORCE FIELD SIMULATIONS IN COMBUSTION: FROM KINETICS TO DYNAMICS
Graduate Program:
Mechanical Engineering
Keywords:
Molecular dynamics
ReaxFF
Combustion
Chemical Kinetics
Pyrolysis
Oxidation
File:
Download dissertation_Chowdhury.pdf
Committee Members:
Prof. Adri van Duin, Dissertation Advisor/Co-Advisor
Prof. Adri van Duin, Committee Chair/Co-Chair
Prof. Richard Yetter, Committee Member
Prof. Jacqueline O'Connor, Committee Member
Prof. Lasse Jensen, Outside Member

2. ReaxFF reactive force field investigations in combustion and nascent soot formation

open_access
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