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1. Testing the Viability of Supercritical Carbon Dioxide as a Fracking Fluid by Computing its Chemical Interaction with Illite

open_access
Open Access
Author:
Ajayi, Oluwaseyi Adebola
Title:
Testing the Viability of Supercritical Carbon Dioxide as a Fracking Fluid by Computing its Chemical Interaction with Illite
Graduate Program:
Geosciences
Keywords:
molecular modeling
fracking
hydraulic fracturing
marcellus shale
supercritical CO2
illite
density functional theory
molecular dynamics
DFT
DFT-MD
scCO2
interfacial tension
interfacial energy
interaction energy
VASP
energy minimization
File:
Download seyi_ajayi_ms_thesis.pdf
Committee Members:
Dr. James Kubicki, Thesis Advisor/Co-Advisor
Dr. Michael Arthur, Committee Member
Dr. Derek Elsworth, Committee Member
Dr. Demian Saffer, Committee Member

2. Development of a knowledge base of Ti-alloys from first-principles and thermodynamic modeling

open_access
Open Access
Author:
Marker, Cassie Lou
Title:
Development of a knowledge base of Ti-alloys from first-principles and thermodynamic modeling
Graduate Program:
Materials Science and Engineering
Keywords:
Titanium
CALPHAD
DFT
Biomaterials
first-principles
thermodynamics
mechanical properties
File:
Download Cassie_Marker-Dissertation_final.pdf
Committee Members:
Zi-Kui Liu, Dissertation Advisor/Co-Advisor
Zi-Kui Liu, Committee Chair/Co-Chair
Allison Michelle Beese, Committee Member
Susan B Sinnott, Committee Member
Kristen Ann Fichthorn, Outside Member
Michael Manley, Special Member