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Author:

Hahn, Seung Ho

Title:

Atomistic-simulations of Silicate Glasses: Surface Water Reaction and Mechanochemical Wear Process

Graduate Program:

Mechanical Engineering

Keywords:

ReaxFF
Molecular Dynamics
Silicate Glass
Glass Surface
Mechanochemical Wear
Water Reaction

File:

Download PhD-Dissertation_Final_SeungHoHAHN.pdf

Committee Members:

Adri C.T. van Duin, Dissertation Advisor/Co-Advisor
Adri C.T. van Duin, Committee Chair/Co-Chair
Seong H. Kim, Committee Member
M. Amanul Haque, Committee Member
Susan B. Sinnott, Outside Member
Daniel Connell Haworth, Program Head/Chair

Author:

Lele, Aditya

Title:

STUDY OF REACTION DRIVEN PROCESSES USING MOLECULAR DYNAMICS: APPLICATIONS OF REAXFF FOR COMBUSTION CHEMISTRY AND MATERIAL SYNTHESIS

Graduate Program:

Mechanical Engineering (PHD)

Keywords:

ReaxFF
Molecular Dynamics
Combustion
2D-materials
Biofuels
CVD
Material synthesis
hBN
soot
pyrolysis

File:

Download Thesis_aditya_lele.pdf

Committee Members:

Jacqueline O'Connor, Major Field Member
Randy Vander Wal, Outside Unit & Field Member
Yuan Xuan, Major Field Member
Adri van Duin, Chair, Minor Member & Dissertation Advisor
Daniel Connell Haworth, Program Head/Chair

Author:

Akbarian, Dooman

Title:

Development and application of the ReaxFF reactive force field method to ferroelectrics and crosslinked polyethylene

Graduate Program:

Mechanical Engineering (PHD)

Keywords:

ReaxFF
Molecular Dynamics
Ferroelectrics
Crosslinked polyethylene

File:

Download Ph.D._Dissertation_-_Dooman_Akbarian-Final_Version.pdf

Committee Members:

Michael Lanagan, Outside Unit & Field Member
Reuben Kraft, Minor Field Member
Adri van Duin, Chair & Dissertation Advisor
Richard Yetter, Major Field Member
Daniel Connell Haworth, Program Head/Chair