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Start Over Graduate Program Mechanical Engineering Year 2016 Committee Member Adrianus C Van Duin

1. Development of a ReaxFF reactive force field for silicon/oxygen/hydrogen/fluorine interactions and applications to hydroxylation and friction.

open_access
Open Access
Author:
Yeon, Jejoon
Title:
Development of a ReaxFF reactive force field for silicon/oxygen/hydrogen/fluorine interactions and applications to hydroxylation and friction.
Graduate Program:
Mechanical Engineering
Keywords:
friction
tribology
tribochemistry
computational chemistry
reactive molecular dynamics
ReaxFF
MD
File:
Download 20160202_JejoonYeon_PhD_Dissertation_final.pdf
Committee Members:
Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
Adrianus C Van Duin, Committee Chair/Co-Chair
Md Amanul Haque, Committee Member
Liming Chang, Committee Member
Seong Han Kim, Committee Member
James David Kubicki, Special Member

2. Understanding the role of multifunctional nanoengineered particulate additives on supercritical pyrolysis and combustion of hydrocarbon fuels/propellants

open_access
Open Access
Author:
Sim, Hyung Sub
Title:
Understanding the role of multifunctional nanoengineered particulate additives on supercritical pyrolysis and combustion of hydrocarbon fuels/propellants
Graduate Program:
Mechanical Engineering
Keywords:
Supercritical Pyrolysis
Supercritical Combustion
Particulate Fuel Additives
Graphene
Platinum Nanoparticles
Hydrocarbons
File:
Download Hyung_Sub_Sim_-_Final_PhD_Thesis_May_2016.pdf
Committee Members:
Richard A Yetter, Dissertation Advisor/Co-Advisor
Richard A Yetter, Committee Chair/Co-Chair
Domenic Adam Santavicca, Committee Member
Adrianus C Van Duin, Committee Member
Robert Martin Rioux Jr., Committee Member

3. STUDY OF PERFORMANCE AND CHARACTERISTICS OF MATERIALS UNDER EXTREME ENVIRONMENT USING THE REAXFF REACTIVE MOLECULAR DYNAMICS SIMULATIONS

open_access
Open Access
Author:
Rahnamoun, Ali
Title:
STUDY OF PERFORMANCE AND CHARACTERISTICS OF MATERIALS UNDER EXTREME ENVIRONMENT USING THE REAXFF REACTIVE MOLECULAR DYNAMICS SIMULATIONS
Graduate Program:
Mechanical Engineering
Keywords:
Molecular Dynamics
ReaxFF
Material Simulation
Extreme Environment
File:
Download thesis_revised_after_defense.pdf
Committee Members:
Adrianus C Van Duin, Dissertation Advisor/Co-Advisor

4. Reactive Molecular Dynamics Simulations of Lithium Secondary Batteries - Interfaces and Electrodes

open_access
Open Access
Author:
Islam, Md Mahbubul
Title:
Reactive Molecular Dynamics Simulations of Lithium Secondary Batteries - Interfaces and Electrodes
Graduate Program:
Mechanical Engineering
Keywords:
eReaxFF
ReaxFF
Reactive molecular dynamics
Solid eletrolyte interphase
Lithium-sulfur battery
Lithium-ion battery
File:
Download dissertation_Mahbub.pdf
Committee Members:
Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
Adrianus C Van Duin, Committee Chair/Co-Chair
Donghai Wang, Committee Member
Hosam Kadry Fathy, Committee Member
Lasse Jensen, Outside Member