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Author:

Sun, Hui

Title:

Computational materials design by thermodynamic modeling

Graduate Program:

Materials Science and Engineering

Keywords:

CALPHAD
FGM
Thermodynamic modeling
Cr-Fe-Mo-Nb-Ni
Materials Design

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Committee Members:

John Mauro, Program Head/Chair
Zi-Kui Liu, Co-Chair & Dissertation Advisor
Jingjing Li, Outside Unit & Field Member
Hojong Kim, Major Field Member
Allison Beese, Co-Chair & Dissertation Advisor

Author:

Fair, Ryan

Title:

EHANCEMENT OF CONJUGATED POLYMER CHARACTERIZATION METHODS; FROM THE INDIVIDUAL CHAIN TO MORPHOLOGICAL FEATURES

Graduate Program:

Materials Science and Engineering

Keywords:

Conjugated polymers
TEM
Persistence Length
Gel Permeation Chromatorgraphy
Light Scattering
GIWAXS
SANS
4D STEM
Organic Photovoltaic
Organic Field Effect Transistor
Organic Electronics

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Committee Members:

Robert Hickey, Major Field Member
Enrique Gomez, Chair & Dissertation Advisor
Christian Pester, Outside Field Member
John Mauro, Program Head/Chair
Ralph Colby, Outside Unit Member

Author:

Chen, Xin

Title:

MATERIALS DESIGN OF DIELECTRIC POLYMERS FOR ENERGY STORAGE, ELECTROCALORIC COOLING, AND ELECTRO-ACTUATORS

Graduate Program:

Materials Science and Engineering

Keywords:

Dielectric polymer
PVDF-based polymers
Electrocaloric cooling
electromechanical coupling
capacitors
energy storage

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Committee Members:

Qiming Zhang, Co-Chair of Committee
Michael Lanagan, Outside Unit & Field Member
Qing Wang, Co-Chair & Dissertation Advisor
Weihua Guan, Major Field Member
Michael Hickner, Major Field Member
John Mauro, Program Head/Chair
Qiming Zhang, Co-Chair & Dissertation Advisor

Author:

Lin, Yinan

Title:

Mixed Modifier Effect in Aluminosilicate Glasses

Graduate Program:

Materials Science and Engineering

Keywords:

aluminosilicate-based glass
dissolution
dynamic
mixed modifier effect.
aluminosilicate glass
mixed modifier effect
mechanical
glass transition

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Committee Members:

Hojong Kim, Major Field Member
John Mauro, Chair & Dissertation Advisor
John Mauro, Program Head/Chair
Robert Kimel, Major Field Member
Seong Kim, Outside Unit & Field Member

Author:

Wang, Yuxiang

Title:

COMPUTATIONAL INVESTIGATION OF THE INTERACTION OF MULTI-FUNCTIONALIZED POROUS AROMATIC FRAMEWORKS WITH PURE SO2 AND GAS MIXTURES

Graduate Program:

Materials Science and Engineering

Keywords:

Functionalized Porous Aromatic Frameworks
Acid Gas Adsorption
Grand Canonical Monte Carlo Simmulations

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Committee Members:

Susan Sinnott, Chair & Dissertation Advisor
Ismaila Dabo, Major Field Member
Lauren Zarzar, Outside Field Member
Adri van Duin, Outside Unit & Field Member
John Mauro, Program Head/Chair

Author:

Hayden, John

Title:

Growth and Ferroelectric Properties of Sputtered Aluminum Nitride-Based Thin Films

Graduate Program:

Materials Science and Engineering

Keywords:

Ferroelectrics
Wurtzite
Nitride
Thin Film
Sputtering

File:

Download Hayden_Dissertation_final.pdf

Committee Members:

John Mauro, Program Head/Chair
Susan Trolier-McKinstry, Major Field Member
Tom Jackson, Outside Unit & Field Member
Jon-Paul Maria, Chair & Dissertation Advisor
Ismaila Dabo, Major Field Member

Author:

Mena Garcia, Javier

Title:

Cold sintering of ceramic matrix composites for varistors and microwave dielectric substrates

Graduate Program:

Materials Science and Engineering

Keywords:

cold sintering
ceramic matrix composite
microwave substrate
varistor

File:

Download 2024-06-27_JavierMenaGarciaDissertation_V08.pdf

Committee Members:

John Mauro, Program Head/Chair
Susan Trolier-McKinstry, Major Field Member
Qiming Zhang, Outside Unit & Field Member
Andrea Arguelles, Major Field Member
Clive Randall, Chair & Dissertation Advisor

Author:

Liu, Derrick Shao

Title:

Growth of the III-VI Two Dimensional Chalcogenide Layered Semiconductors for Electronic Device Applications by Molecular Beam Epitaxy

Graduate Program:

Materials Science and Engineering

Keywords:

Molecular Beam Epitaxy
thin film
2D materials
indium selenide
growth kinetics
chalcogens

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Committee Members:

John Mauro, Program Head/Chair
Suzanne Mohney, Major Field Member
Joan Redwing, Chair & Dissertation Advisor
Joshua Robinson, Major Field Member
Ying Liu, Outside Unit & Field Member

Author:

Gong, Rushi

Title:

Investigation of Atomic Environments by Computational Thermodynamics: Applications in Intermetallic Catalysts and Molten Salts

Graduate Program:

Materials Science and Engineering

Keywords:

CALPHAD
Thermodynamics
First-principles calculations
Catalysts
Intermetallics
Molten salts
Short-range ordering
Software

File:

Download Gong_Dissertation_Final.pdf

Committee Members:

John Mauro, Program Head/Chair
Zi-Kui Liu, Chair & Dissertation Advisor
Hojong Kim, Major Field Member
Michael Janik, Outside Unit & Field Member
John Mauro, Major Field Member

Author:

Britt, Cole

Title:

Integrated Experimental and Computational Approach for Heterogeneous Microstructures of Martensitic Functional Gradients

Graduate Program:

Materials Science and Engineering

Keywords:

additive manufacturing
functionally graded materials
CALPHAD
high-strength low-alloy steels
stainless steel

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Committee Members:

John Mauro, Program Head/Chair
Zi-Kui Liu, Chair & Dissertation Advisor
Jay Keist, Chair & Dissertation Advisor
Hojong Kim, Major Field Member
Allison Beese, Chair & Dissertation Advisor
Todd Palmer, Outside Unit & Field Member

Author:

Baksa, Steven Michael

Title:

Modeling and optimization of wurtzite ferroelectrics in memory applications

Graduate Program:

Materials Science and Engineering

Keywords:

Ferroelectrics
heterostructures
device scaling
energy efficiency
Ferroelectrics
Heterostructures
Device scaling
Energy efficiency
Ceramics
Semiconductors
Thin films
First principles

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Committee Members:

John Mauro, Program Head/Chair
Susan Trolier-McKinstry, Major Field Member
Jon-Paul Maria, Major Field Member
Susan Sinnott, Major Field Member
Ismaila Dabo, Chair & Dissertation Advisor
Adri van Duin, Outside Unit, Field & Minor Member

Author:

Welch, Rebecca

Title:

Oxygen Triclusters in Aluminosilicate Glasses: A Computational Approach

Graduate Program:

Materials Science and Engineering

Keywords:

glass structure
oxygen triclusters
molecular dynamics
modeling
aluminosilicate

File:

Download Welch_Dissertation_v10.pdf

Committee Members:

John Mauro, Program Head/Chair
Seong Kim, Outside Unit & Field Member
John Mauro, Chair & Dissertation Advisor
Ismaila Dabo, Major Field Member
Wesley Reinhart, Major Field Member

Author:

Vera, Alexander

Title:

Synthesis of Air-Stable 2-Dimensional Heavy Metal Crystals

Graduate Program:

Materials Science and Engineering

Keywords:

monolayer Pb
spintronics
confinement heteroepitaxy
2D materials
superconductivity
CHet
2D-metals
2D-Pb
2D-Bi
2D alloys

File:

Download Alexander_Vera_Final_v2_vita.pdf

Committee Members:

John Mauro, Program Head/Chair
Venkatraman Gopalan, Major Field Member
Jun Zhu, Outside Unit & Field Member
Joan Redwing, Major Field Member
Joshua Robinson, Chair & Dissertation Advisor
Maxwell Wetherington, Major Field Member

Author:

Holoviak, Stephen

Title:

Atomistic Materials Modeling Applied to 2D Heterostructures and Electrocatalysis

Graduate Program:

Materials Science and Engineering

Keywords:

Density functional theory
molecular dynamics
platinum
gallium oxide

File:

Download Holoviak_Dissertation_final.pdf

Committee Members:

John Mauro, Program Head/Chair
Kristen Fichthorn, Outside Unit & Field Member
Susan Sinnott, Chair & Dissertation Advisor
Joshua Robinson, Major Field Member
Ismaila Dabo, Major Field Member

Author:

Tipsawat, Pannawit

Title:

Released Piezoelectric Thin Films for Piezoelectric Micromachined Ultrasound Transducers (PMUT)

Graduate Program:

Materials Science and Engineering

Keywords:

Piezoelectric thin films
PMUT
MEMS
Effective longitudinal piezoelectric coefficient
PZT
Neurostimulation
Released piezoelectric thin films
Acoustic
Ultrasound

File:

Download Pannawit_Dissertation.pdf

Committee Members:

John Mauro, Program Head/Chair
Susan Trolier-McKinstry, Chair & Dissertation Advisor
Tom Jackson, Major Field Member
Sri-Rajasekhar Kothapalli, Outside Unit & Field Member
Andrea Arguelles, Major Field Member

Author:

Wang, Jiayang

Title:

A first-principles study of low dimensional transition metal carbides and transition metal dichalcogenides

Graduate Program:

Materials Science and Engineering

Keywords:

2D materials
transition metal carbides
transition metal dichalcogenides
DFT
superconductivity

File:

Download Dissertation.pdf

Committee Members:

John Mauro, Program Head/Chair
Mauricio Terrones, Outside Unit & Field Member
Ismaila Dabo, Major Field Member
Joshua Robinson, Major Field Member
Susan Sinnott, Chair & Dissertation Advisor

Author:

Krajewski, Adam

Title:

Efficient Materials Informatics between Rockets and Electrons

Graduate Program:

Materials Science and Engineering

Keywords:

materials informatics
materials discovery
scientific computing
machine learning
artificial intelligence
database design
high entropy alloys
compositionally complex materials
functionally graded materials
extreme environments
hypersonics
data driven
thermodynamics
graphs
compositional spaces
python
nim
CALPHAD
HEA
FGM
ULTERA
pySIPFENN
MPDD
alloy design
inverse design

File:

Download SelectedSourceCodes.zipDownload PhD_Dissertation_Submitted.pdf

Committee Members:

John Mauro, Program Head/Chair
Zi-Kui Liu, Chair, Minor Member & Dissertation Advisor
Allison Beese, Major Field Member
Wenrui Hao, Outside Unit & Field Member
Ismaila Dabo, Major Field Member

Author:

Yousefian, Pedram

Title:

Oxygen Vacancy Dynamics and Their Impact on Reliability of BaTiO3-based Multilayer Ceramic Capacitors

Graduate Program:

Materials Science and Engineering

Keywords:

Multilayer ceramic capacitors (MLCCs)
BaTiO3
Reliability
Oxygen Vacancy
Lifetime Prediction
Machine Learning
Common Cause Failure
HALT
TSDC

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Committee Members:

John Mauro, Program Head/Chair
Susan Trolier-McKinstry, Major Field Member
John Mauro, Major Field Member
Clive Randall, Chair & Dissertation Advisor
Yang Yang, Outside Unit & Field Member

Author:

Nordlander, Josh

Title:

Magnetron Sputtering of III-N Thin Films

Graduate Program:

Materials Science and Engineering

Keywords:

GaN
III-N
sputter deposition

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Committee Members:

John Mauro, Program Head/Chair
Rongming Chu, Outside Unit & Field Member
Jon-Paul Maria, Chair & Dissertation Advisor
Joan Redwing, Major Field Member
Stephanie Law, Major Field Member

Author:

Shimanek, John

Title:

Predictive Crystal Plasticity Modeling of Face-Centered Cubic Metals using Multiscale Computational Techniques

Graduate Program:

Materials Science and Engineering

Keywords:

crystal plasticity
density functional theory
dislocation dynamics
finite element method
graph theory

File:

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Committee Members:

John Mauro, Program Head/Chair
Zi-Kui Liu, Co-Chair & Dissertation Advisor
Reuben Kraft, Outside Unit & Field Member
Allison Beese, Co-Chair & Dissertation Advisor
Wesley Reinhart, Major Field Member