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Author:

Puri, Puneesh

Title:

Multi Scale Modeling of Ignition and Combustion of Micro and Nano Aluminum Particles

Graduate Program:

Mechanical Engineering

Keywords:

Ignition and Combustion
Energetic Materials
Nano Scales
Aluminum
Modeling
Molecular Dynamics

File:

Download PhD_Thesis-Puneesh_Puri.pdf

Committee Members:

Dr Vigor Yang, Committee Chair/Co-Chair
Richard A Yetter, Committee Member
Daniel Connell Haworth, Committee Member
Robert Francis Kunz, Committee Member
Dr Steve Son, Committee Member

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

Author:

Zhang, Kaiqiang

Title:

THERMAL DECOMPOSITION MECHANISM OF AQUEOUS HYDROXYLAMMONIUM NITRATE

Graduate Program:

Mechanical Engineering

Keywords:

Energetic Material
Computational Chemistry
Molecular Dynamics
Hydroxylammonium Nitrate
Thermal Decomposition

File:

Download HAN_decomposition_Dissertation_Kaiqiang_Zhang_V6.pdf

Committee Members:

Stefan Thynell, Dissertation Advisor/Co-Advisor
Stefan Thynell, Committee Chair/Co-Chair
Richard A Yetter, Committee Member
Adrianus C Van Duin, Committee Member
Michael Matthew Micci, Outside Member

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:

Almishal, Saeed

Title:

Using First-Principles Calculations and Molecular Dynamics to Investigate the Properties of Cesium-Based Halide Perovskites for Photovoltaic Applications

Graduate Program:

Mechanical Engineering

Keywords:

First-principles calculations
Density Functional Theory
Molecular Dynamics
Cs-based halide perovskite
Ge-based halide perovskite
structural properties
phase transformation
photovoltaic perovskites
electronic properties

File:

Download Saeed_Almishal_s_Thesis.pdf

Committee Members:

Ola Hamada Rashwan, Thesis Advisor/Co-Advisor
Brian Allen Maicke, Committee Member
Abdallah Ramini, Committee Member
Rick Ciocci, Special Signatory