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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

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

Author:

Shi, Yin

Title:

Phase-Field Study of Metal-Insulator Transition in Strongly Correlated Vanadium Dioxide

Graduate Program:

Materials Science and Engineering

Keywords:

Phase-field method
Metal-insulator transition
Strongly correlated material

File:

Download PhDThesis_YinShi.pdf

Committee Members:

Long-Qing Chen, Dissertation Advisor/Co-Advisor
Long-Qing Chen, Committee Chair/Co-Chair
Venkatraman Gopalan, Committee Member
Ismaila Dabo, Committee Member
Raymond Edward Schaak, Outside Member
John Mauro, Program Head/Chair

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

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

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

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

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

Author:

Fanghanel, Julian

Title:

Semiconductor Photoelectrodes For Photocatalytic Energy Conversion & Semiconductor Nanorods For Solid State Lighting

Graduate Program:

Materials Science and Engineering

Keywords:

Photocatalysis
Photocatalytic
Hydrogen
Water Splitting
Quantum Wells
Solid State Lighting
Nanorods
Optoelectronics
Heterojunctions
Energy
Photoelectrodes

File:

Download Julian_Thesis_Final_2.pdf

Committee Members:

Raymond Edward Schaak, Thesis Advisor/Co-Advisor
Ismaila Dabo, Thesis Advisor/Co-Advisor
Venkatraman Gopalan, Committee Member
John C Mauro, Program Head/Chair