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Author:

Hong, Sung Wook

Title:

ATOMISTIC-SCALE INVESTIGATION OF THE GROWTH KINETICS OF ALUMINUM OXIDE LAYERS ON ALUMINUM NANOPARTICLES AND GERMANIUM-BASED SEMICONDUCTORS USING THE REAXFF REACTIVE FORCE FIELD

Graduate Program:

Mechanical Engineering

Keywords:

ReaxFF
Molecular Dynamics Simulations
Aluminum oxide layer
Aluminum nanoparticles
Ge slab

File:

Download Dissertation_SHong_final.pdf

Committee Members:

Adri C.T. van Duin, Dissertation Advisor/Co-Advisor
Adri C.T. van Duin, Committee Chair/Co-Chair
Yuan Xuan, Committee Member
Richard A Yetter, Committee Member
Roman Engel-Herbert, Outside Member

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

Author:

Damirchi, Behzad

Title:

Development and Application of the ReaxFF Reactive Force Field in Carbon Nanotube - Polymer Materials

Graduate Program:

Mechanical Engineering

Keywords:

ReaxFF Reactive Force Field
Carbon Nanotube - Polymer Material
Molecular Dynamics Simulations
Flattened Carbon Nanotube
Polyaramid-Carbon Nanotube

File:

Download PhD_Dissertation_-_Behzad_Damirchi_-_Final_Version.pdf

Committee Members:

Michael Lanagan, Outside Unit & Field Member
Bladimir Ramos Alvarado, Major Field Member
Reuben Kraft, Major Field Member
Adri van Duin, Chair & Dissertation Advisor
Daniel Connell Haworth, Program Head/Chair

Author:

Yu, Tracy

Title:

Influence of ligands, DNA, and interdomain crosstalk on farnesoid X receptor function

Graduate Program:

Biochemistry, Microbiology, and Molecular Biology

Keywords:

Farnesoid X Receptor
Nuclear Receptors
Molecular Dynamics Simulations
Ligand Specificity
Transcriptional Regulation

File:

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Committee Members:

Andrew Patterson, Major Field Member
C Okafor, Chair & Dissertation Advisor
Amie Boal, Major Field Member
Katsuhiko Murakami, Outside Field Member
Santhosh Girirajan, Program Head/Chair
David Boehr, Outside Unit Member