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Start Over Degree MS Committee Member Adrianus C Van Duin

1. APPLICATION OF REAXFF BASED REACTIVE MOLECULAR DYNAMICS TO SIMULATE LASER INDUCED INCANDESCENCE OF SOOT AND CHAR OXIDATION

open_access
Open Access
Author:
Kamat, Amar
Title:
APPLICATION OF REAXFF BASED REACTIVE MOLECULAR DYNAMICS TO SIMULATE LASER INDUCED INCANDESCENCE OF SOOT AND CHAR OXIDATION
Graduate Program:
Mechanical Engineering
Keywords:
laser induced incandescence
soot
reaxff
molecular dynamics
accommodation coefficients
File:
Download Kamat_Thesis_Feb7.pdf
Committee Members:
Prof Adri Van Duin, Thesis Advisor/Co-Advisor
Adrianus C Van Duin, Thesis Advisor/Co-Advisor

4. APPLICATION OF THE REAXFF MOLECULAR SIMULATION METHOD FOR INVESTIGATING HYPERGOLICITY OF ENERGETIC IONIC LIQUIDS

open_access
Open Access
Author:
Singhai, Shashank
Title:
APPLICATION OF THE REAXFF MOLECULAR SIMULATION METHOD FOR INVESTIGATING HYPERGOLICITY OF ENERGETIC IONIC LIQUIDS
Graduate Program:
Mechanical Engineering
Keywords:
ionic liquid
energetic
hypergolic
simulation
Reaxff
molecular dynamics
combustion
File:
Download S_Singhai-MSThesis-Fall2010.pdf
Committee Members:
Prof Adri Van Duin, Thesis Advisor/Co-Advisor
Adrianus C Van Duin, Thesis Advisor/Co-Advisor

7. Heating Response Study of Aluminum Nanoparticles with Molecular Dynamics Simulations

open_access
Open Access
Author:
Rocca Bejar, Daniela
Title:
Heating Response Study of Aluminum Nanoparticles with Molecular Dynamics Simulations
Graduate Program:
Mechanical Engineering
Keywords:
reaxff
Energetic materials
Molecular dynamics
Nanoparticle combustion
File:
Download DRB_MS_thesis_2020.pdf
Committee Members:
Bladimir Ramos Alvarado, Thesis Advisor/Co-Advisor
Sean Michael Mcintyre, Committee Member
Karen Ann Thole, Program Head/Chair
Adrianus C Van Duin, Committee Member

8. UNDERSTANDING GROWTH MECHANISM OF COPPER NANOWIRE AND APPLICATION OF MACHINE LEARNING TO CHARACTERIZE SILVER NANOCLUSTERS

open_access
Open Access
Author:
Phul, Saksham
Title:
UNDERSTANDING GROWTH MECHANISM OF COPPER NANOWIRE AND APPLICATION OF MACHINE LEARNING TO CHARACTERIZE SILVER NANOCLUSTERS
Graduate Program:
Chemical Engineering
Keywords:
Nanowire
Machine learning
Molecular Dynamics
Nanotechnology
Nanoclusters
Kinetic
Markov chain
Nanocrystal
Copper
Silver
File:
Download Machine_learning_data.csvDownload thesis_complete_pdf.pdf
Committee Members:
Kristen Fichthorn, Thesis Advisor/Co-Advisor
Ali Borhan, Committee Member
Phillip E Savage, Program Head/Chair
Adrianus C Van Duin, Committee Member

9. Development of a High-Density Initiation Mechanism for Supercritical Nitromethane Decomposition

open_access
Open Access
Author:
Burke, Christopher
Title:
Development of a High-Density Initiation Mechanism for Supercritical Nitromethane Decomposition
Graduate Program:
Mechanical Engineering
Keywords:
High pressure
high density
nitromethane
decomposition
initiation
mechanism
chris burke
christopher burke
hydrogen abstraction
File:
Download Thesis_BurkeCN_FormatReviewed.pdf
Committee Members:
Richard A Yetter, Thesis Advisor/Co-Advisor
Adrianus C Van Duin, Thesis Advisor/Co-Advisor
Jacqueline Antonia O'Connor, Committee Member
Karen Ann Thole, Program Head/Chair

10. Mixed Osmolyte Effects in Solution and Air/Water Interface

open_access
Open Access
Author:
Bian, Yujia
Title:
Mixed Osmolyte Effects in Solution and Air/Water Interface
Graduate Program:
Chemistry
Keywords:
osmolyte
surface tension
simple toy model
protein folding
File:
Download Master_s_thesis_Yujia_final.pdf
Committee Members:
William George Noid, Thesis Advisor/Co-Advisor
Paul S Cremer, Committee Member
Xin Zhang, Committee Member
Adrianus C Van Duin, Committee Member
Philip C Bevilacqua, Program Head/Chair