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Open Access

Author:: Lichtenstein, Timothy Thomas
Title:: FUNDAMENTALS AND APPLICATIONS OF LIQUID METALS TOWARDS ELECTROCHEMICAL SEPARATIONS
Graduate Program:: Materials Science and Engineering
Keywords:: Electrorefining
Thermodynamics
barium-alloys
electromotive force
Electrochemical separation
Phase diagram
File:: Download Thesis_TimothyLichtenstein_Final.pdf
Committee Members:: Hojong Kim, Dissertation Advisor/Co-Advisor
Hojong Kim, Committee Chair/Co-Chair
Zi-Kui Liu, Committee Member
Ismaila Dabo, Committee Member
Thomas Mallouk, Outside Member
John C Mauro, Program Head/Chair
James L. Willit, Special Member

Open Access

Author:: Liu, Zhe
Title:: MULTISCALE MODELING OF LITHIUM METAL ANODE FOR NEXT-GENERATION BATTERY DESIGN
Graduate Program:: Materials Science and Engineering
Keywords:: Lithium ion battery
Lithium metal anode
Dendrite growth
Phase-field modeling
Electrodeposition
Density functional theory
File:: Download Zhe_Liu_PhD_Dissertation_Final.pdf
Committee Members:: Long-Qing Chen, Dissertation Advisor/Co-Advisor
Long-Qing Chen, Committee Chair/Co-Chair
Chao-Yang Wang, Committee Member
Ismaila Dabo, Committee Member
Adrianus C Van Duin, Outside Member
John C Mauro, Program Head/Chair

Open Access

Author:: Lu, Yanfu
Title:: Discovery of low-dimensional functional materials from first-principles calculations
Graduate Program:: Materials Science and Engineering
Keywords:: perovskite oxides
transition metal dichalcogenides
density functional theory
epitaxy
piezielectricity
ferroelectricity
strain engineering
File:: Download Yanfu__Kelvin__Lu_dissertation_v7.pdf
Committee Members:: Susan B Sinnott, Dissertation Advisor/Co-Advisor
Susan B Sinnott, Committee Chair/Co-Chair
Ismaila Dabo, Committee Member
Roman Engel-Herbert, Committee Member
Mauricio Terrones, Outside Member
John C Mauro, Program Head/Chair

Open Access

Author:: Sengul, Mert Yigit
Title:: ATOMISTIC LEVEL INVESTIGATION OF DISSOLUTION, PRECIPITATION AND SURFACE DIFFUSION DYNAMICS AT THE AQUEOUS INTERFACES USING REAXFF AND APPLICATION OF DEEP LEARNING TO FORCE FIELD PARAMETERIZATION
Graduate Program:: Materials Science and Engineering
Keywords:: Cold Sintering Process
ReaxFF
Aqueous Interfaces
Deep Learning
Machine Learning
Molecular Dynamics
Surface Diffusion
Langmuir Model
File:: Download Sengul_MY_Dissertation_MatSE.pdf
Committee Members:: Clive A Randall, Dissertation Advisor/Co-Advisor
Clive A. Randall, Committee Chair/Co-Chair
Adrianus C Van Duin, Committee Chair/Co-Chair
Ismaila Dabo, Committee Member
Enrique Daniel Gomez, Outside Member
Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
John C Mauro, Program Head/Chair

Open Access

Author:: Chen, Weinan
Title:: Heat Transport in Semiconducting Metalattices
Graduate Program:: Materials Science and Engineering
Keywords:: Heat transport
Computational Materials Science
First-principles
Phononics
File:: Download submit_version_thesis.pdf
Committee Members:: Ismaila Dabo, Dissertation Advisor/Co-Advisor
Ismaila Dabo, Committee Chair/Co-Chair
Susan B Sinnott, Committee Member
Vincent Henry Crespi, Committee Member
Brian Foley, Outside Member
John C Mauro, Program Head/Chair

Open Access

Author:: Talreja, Disha
Title:: Time-Domain Thermoreflectance Probing of Tunable Thermal Transport in Silicon Metalattices
Graduate Program:: Materials Science and Engineering
Keywords:: Time-domain thermoreflectance
Silicon metalattices
Ballistic transport
Mie transition
Thermal transport metalattices
Delay stage configuration
High pressure confined chemical vapor deposition
Thermal rectification
File:: Download PhDthesisDTalreja.pdf
Committee Members:: Venkatraman Gopalan, Dissertation Advisor/Co-Advisor
Venkatraman Gopalan, Committee Chair/Co-Chair
Ismaila Dabo, Committee Member
Suzanne E Mohney, Committee Member
Brian Foley, Outside Member
John C Mauro, Program Head/Chair

Open Access

Author:: Burgess, Maximiliano
Title:: The Acetophenone Radical Anion: A Computational Investigation of Preferred Geometries
Graduate Program:: Materials Science and Engineering
Keywords:: Acetophenone
Crosslinked polyethylene (XLPE)
DFT
Molecular dynamics
Reactive force fields
High-voltage cables
File:: Download BurgessM_Thesis_Final_Submission.pdf
Committee Members:: Ismaila Dabo, Thesis Advisor/Co-Advisor
Adrianus C Van Duin, Thesis Advisor/Co-Advisor
Michael T Lanagan, Committee Member
John C Mauro, Program Head/Chair

Open Access

Author:: Cooley, Kayla Anne
Title:: The Effect of Metal Incorporation on Properties and Critical Interfaces in Germanium Telluride Based Devices
Graduate Program:: Materials Science and Engineering
Keywords:: Phase Change Materials
Electrical Contacts
GeTe
Solid-State Reactions
Contact Resistance
Metal-Incorporation
Ternary Phase Diagrams
Transmission Electron Microscopy
Thin Films
File:: Download KaylaCooley-Dissertation-FINAL-Corrected.pdf
Committee Members:: Suzanne E Mohney, Dissertation Advisor/Co-Advisor
Suzanne E Mohney, Committee Chair/Co-Chair
Ismaila Dabo, Committee Member
Nasim Alem, Committee Member
Nitin Samarth, Outside Member
John C Mauro, Program Head/Chair

Open Access

Author:: Wilkinson, Collin
Title:: Adventures In High Dimensions: Understanding Glass For The 21ST Century
Graduate Program:: Materials Science and Engineering
Keywords:: Glass
glass relaxation
glass-ceramics
machine learning
crystallization
File:: Download Dissertation_Final_ReformatedUpdated.pdf
Committee Members:: John C Mauro, Dissertation Advisor/Co-Advisor
John C Mauro, Committee Chair/Co-Chair
Susan B Sinnott, Committee Member
Ismaila Dabo, Committee Member
Seong Han Kim, Outside Member
John C Mauro, Program Head/Chair

Open Access

Author:: Wang, Bo
Title:: Phase-field study on electromechanical phenomena in ferroelectric single crystals and thin films
Graduate Program:: Materials Science and Engineering
Keywords:: Phase-field modeling
Ferroelectric materials
Piezoelectric effect
Flexoelectric effect
Domain structure
File:: Download Dissertation-vfin.pdf
Committee Members:: Long-Qing Chen, Dissertation Advisor/Co-Advisor
Long-Qing Chen, Committee Chair/Co-Chair
Ismaila Dabo, Committee Member
Venkatraman Gopalan, Committee Member
Francesco Costanzo, Outside Member
Qiang Du, Outside Member
John C Mauro, Program Head/Chair

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