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Author:

Proctor, David James

Title:

Studies of the Molecular Origins of Thermodynamic Stability in RNA Secondary Structure

Graduate Program:

Chemistry

Keywords:

RNA
biophysics
structure
thermodynamics

File:

Download thesis.pdf

Committee Members:

Philip C. Bevilacqua, Committee Chair/Co-Chair
Juliette T J Lecomte, Committee Member
George I Makhatadze, Committee Member
Paul Lee Babitzke, Committee Member

Author:

Moody, Ellen Marie

Title:

Stability in Nucleic Acid Hairpins: 1. Molecular Determinants of Cooperativity and 2. Linkage between Proton Binding and Folding

Graduate Program:

Chemistry

Keywords:

RNA
DNA
pKa shifting
cooperativity
expandability
thermodynamics

File:

Download EMM_thesis.pdf

Committee Members:

Philip C. Bevilacqua, Committee Chair/Co-Chair
Christopher Falzone, Committee Member
Juliette T J Lecomte, Committee Member
James Gregory Ferry, Committee Member

Author:

Ritchie, Lindsey Thomson

Title:

ENERGETICS OF A SINGLE-CELL THUNDERSTORM

Graduate Program:

Meteorology

Keywords:

available energy
traditional energy
thermodynamics
thunderstorm
energetics
energy conservation

File:

Download RitchieMSThesis.pdf

Committee Members:

Peter R Bannon, Thesis Advisor/Co-Advisor
Peter R Bannon, Thesis Advisor/Co-Advisor

Author:

Urban, Nathan Mark

Title:

Thermodynamics and structure of fluids physisorbed on nanotubes

Graduate Program:

Physics

Keywords:

semiclassical
heat capacity
low dimensional physics
restricted geometries
cylindrical geometry
nanotube bundle
thin film
nanopore
nanotube
Monte Carlo
condensed matter physics
thermodynamics
quantum mechanics
statistical mechanics
physisorption
simulation
computational physics
surface physics
surface science
surface adsorption
effective potential
Bose gas
quantum gas
quantum fluid
quantum solid
argon
hydrogen
carbon
magnesium oxide

File:

Download nurban-thesis.pdf

Committee Members:

Milton Walter Cole, Committee Chair/Co-Chair
James Bernhard Anderson, Committee Member
Jayanth R Banavar, Committee Member
Vincent Henry Crespi, Committee Member

Author:

Li, Xin

Title:

CHARGED POINT DEFECT IN RUTILE TIO2: FROM DEFECT CHARGE DISTRIBUTION TO DEFECT PHONON FREE ENERGY

Graduate Program:

Materials Science and Engineering

Keywords:

TiO2
defect formation energy
phonon free energy
thermodynamics
defect phase diagram

File:

Download PhD_Dissertation.pdf

Committee Members:

Sarah Elizabeth Dickey, Dissertation Advisor/Co-Advisor
Elizabeth C Dickey, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Clive A Randall, Committee Member
Vincent Henry Crespi, Committee Member
Suzanne E Mohney, Committee Member

Author:

Ling, Yan

Title:

FIRST-PRINCIPLES CALCULATIONS AND THERMODYNAMIC MODELING OF THE HF-RE BINARY SYSTEM WITH EXTENSION TO THE HF-NI-RE TERNARY SYSTEM

Graduate Program:

Materials Science and Engineering

Keywords:

thermodynamics
Ni-Hf-Re
hafnium
rhenium
Hf-Re
CALPHAD
first-principles
Ni-based superalloys
modeling

File:

Download Ling_MS_final5.pdf

Committee Members:

Paul Raymond Howell, Thesis Advisor/Co-Advisor
Zi Kui Liu, Thesis Advisor/Co-Advisor

Author:

Mei, Zhigang

Title:

First-principles Thermodynamics of Phase Transition: from Metal to Oxide

Graduate Program:

Materials Science and Engineering

Keywords:

First-principles
thermodynamics
phase transitions
Ti
TiO2
BiFeO3

File:

Download ZhigangMei_Dissertation.pdf

Committee Members:

Zi Kui Liu, Dissertation Advisor/Co-Advisor
Long Qing Chen, Committee Member
Vincent Henry Crespi, Committee Member
Clive A Randall, Committee Member

Author:

Moschetta, Eric Gregory

Title:

Understanding thermodynamics and kinetics of organometallic complexes for tailoring analogous immobilized metal catalysts

Graduate Program:

Chemical Engineering

Keywords:

heterogeneous catalysis
homogeneous catalysis
calorimetry
thermodynamics
solvent effects

File:

Download Moschetta_-_Final_Dissertation.pdf

Committee Members:

Robert Martin Rioux Jr., Dissertation Advisor/Co-Advisor
Michael John Janik, Committee Member
Kyle Jeffrey Magnuson Bishop, Committee Member
Alexander Thomas Radosevich, Special Member

Author:

Szedlmayer, Michael Thomas

Title:

An Experimental Study of the Velocity-Forced Flame Response of Lean-Fremixed Multi-Nozzle Can Combustor for Gas Turbines

Graduate Program:

Mechanical Engineering

Keywords:

combustion instability
natural gas turbine
acoustics
thermodynamics
vortex formation

File:

Download Szedlmayer_Dissertation.pdf

Committee Members:

Domenic Adam Santavicca, Dissertation Advisor/Co-Advisor
Domenic Adam Santavicca, Committee Chair/Co-Chair
Richard A Yetter, Committee Member
Horatio Perez Blanco, Committee Member
Cengiz Camci, Committee Member
Gary Stuart Settles, Committee Member

Author:

Huang, Changjin

Title:

A Mechanistic Study on Cellular Uptake of Nanoparticles for Enhanced Drug Delivery

Graduate Program:

Engineering Science and Mechanics

Keywords:

Nanoparticle
cellular uptake
substrate stiffness
topography
thermodynamics
molecular dynamics
drug delivery
cancer

File:

Download CJH_Dissertation.pdf

Committee Members:

Sulin Zhang, Dissertation Advisor/Co-Advisor
Sulin Zhang, Committee Chair/Co-Chair
Bernhard R Tittmann, Committee Member
Melik C Demirel, Committee Member
Jian Xu, Committee Member
Peter J Butler, Committee Member
Cheng Dong, Committee Member

Author:

Zidell, Anthony Wallace

Title:

The relationship between latent secondary structure within an unbound intrinsically disordered protein and the thermodynamics of complexation with a target molecule

Graduate Program:

Chemistry

Keywords:

intrinsically disordered protein
thermodynamics
isothermal titration calorimetry
circular dichroism spectroscopy

File:

Download Zidell_Thesis.pdf

Committee Members:

Scott A Showalter, Thesis Advisor/Co-Advisor

Author:

Zhou, Bicheng

Title:

A computational study of the effects of alloying elements on the thermodynamic and diffusion properties of Mg alloys

Graduate Program:

Materials Science and Engineering

Keywords:

Mg alloys
thermodynamics
diffusion
thermodynamic modeling
CALPHAD
first-principles calculations
DFT
kinetics

File:

Download Bi-Cheng_Zhou-Dissertation.pdf

Committee Members:

Zi Kui Liu, Dissertation Advisor/Co-Advisor
Zi Kui Liu, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Jorge Osvaldo Sofo, Committee Member
Tarasankar Debroy, Committee Member

Author:

Elliott, Kyle A

Title:

Combining Radar and Aircraft Observations to Investigate the Kinematic and Microphysical Properties of the 20 May 2011 Squall Line

Graduate Program:

Meteorology

Keywords:

radar
aircraft
meteorology
squall line
midlatitude
dual-wavelength ratio
reflectivity
correlation coefficient
Cloud Imaging Probe
Rear Inflow Jet
thermodynamics
microphysics
mesoscale
sublimation
aggregation
vapor deposition
MC3E

File:

Download MS_Thesis_Kyle_Elliott.pdf

Committee Members:

Matthew Robert Kumjian, Thesis Advisor/Co-Advisor

Author:

Otis, Richard Albert

Title:

Software architecture for CALPHAD modeling of phase stability and transformations in alloy additive manufacturing processes

Graduate Program:

Materials Science and Engineering

Keywords:

CALPHAD
software
Python
thermodynamics
alloys
additive manufacturing
uncertainty quantification

File:

Download main.pdf

Committee Members:

Zi-Kui Liu, Dissertation Advisor/Co-Advisor
Zi-Kui Liu, Committee Chair/Co-Chair
Allison Michelle Beese, Committee Member
Ismaila Dabo, Committee Member
Qiang Du, Outside Member
Bryan McEnerney, Special Member

Author:

Kamali Shahri, Seyed Mehdi Mehdi

Title:

STUDY OF AMINOSILICA ADSORBENTS FOR CO2 CAPTURE: EXPERIMENTAL STRUCTURE-FUNCTION RELATIONSHIPS

Graduate Program:

Energy and Mineral Engineering

Keywords:

CO2 adsorption
Kinetics
thermodynamics
heat of adsorption
efficiency
aminosilica material
type I adsorbent
surface chemistry
surface modification
CO2 adsorption modeling

File:

Download MehdiThesis--_Final_version.pdf

Committee Members:

Robert Rioux, Dissertation Advisor/Co-Advisor
Caroline Clifford, Committee Chair/Co-Chair
Chunshan Song, Committee Member
Xiaoxing Wang, Committee Member
Ramakrishnan Rajagopalan, Outside Member

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

Author:

Awadelkarim, Amel Osama

Title:

FINITE-ELEMENT IMPLEMENTATION AND VERIFICATION OF COMPLEX FLUID MODELS BASED ON EVOLVING NATURAL CONFIGURATIONS, MOTIVATED BY STUDIES OF BLOOD

Graduate Program:

Engineering Science and Mechanics

Keywords:

blood
fluid mechanics
COMSOL Multiphysics
continuum mechanics
arbitrary-Lagrangian-Eulerian
Method of Manufactured Solutions
clotting
lysis
modeling
viscoelastic fluids
finite element
complex fluids
verification
thermodynamics
natural configuration
Oldroyd-B fluid

File:

Download Awadelkarim_MSThesis.pdf

Committee Members:

Francesco Costanzo, Thesis Advisor/Co-Advisor

Author:

Qi, Xin

Title:

Probing monocrystalline and multiply-twinned nanocrystal growth from thermodynamic and kinetic perspectives

Graduate Program:

Chemical Engineering

Keywords:

Ag
nanocrystal growth
MD simulation
Theory
thermodynamics
kinetics

File:

Download XinQi_Dissertation.pdf

Committee Members:

Kristen Ann Fichthorn, Dissertation Advisor/Co-Advisor
Kristen Ann Fichthorn, Committee Chair/Co-Chair
Michael John Janik, Committee Member
Adrianus C Van Duin, Committee Member
Seong Han Kim, Outside Member

Author:

Williams, Matthew

Title:

Causes and Impacts of Sea Ice Variability in the Sea of Okhotsk Using CESM-LE

Graduate Program:

Meteorology and Atmospheric Science

Keywords:

CESM
Okhotsk
sea ice
interannual variability
atmospheric dynamics
CESM-LE
thermodynamics

File:

Download MatthewWilliams_Thesis.pdf

Committee Members:

Melissa Marie Gervais, Thesis Advisor/Co-Advisor
Chris Eliot Forest, Committee Member
Sukyoung Lee, Committee Member

Author:

Lebold, Kathryn

Title:

A Dual Potential Approach for Modeling Structure and Energetics with Coarse-Grained Models

Graduate Program:

Chemistry

Keywords:

coarse-graining
dual-potential
transferability
representability
thermodynamics

File:

Download Lebold-Dissertation.pdf

Committee Members:

Will Noid, Dissertation Advisor/Co-Advisor
Will Noid, Committee Chair/Co-Chair
Lasse Jensen, Committee Member
Mark Maroncelli, Committee Member
Adrianus C Van Duin, Outside Member

Author:

Getz, David

Title:

Design, Modeling and Testing of an Electro-Thermal Ice Protection System for Wind Turbines

Graduate Program:

Aerospace Engineering

Keywords:

electrothermal
deicing
antiicing
ice protection system
wind turbines
thermodynamics
icing

File:

Download Getz_thesis_FINAL.pdf

Committee Members:

Jose Palacios, Thesis Advisor/Co-Advisor
Amy Ruth Pritchett, Program Head/Chair
Dennis K Mc Laughlin, Committee Member

Author:

Magzymov, Daulet

Title:

Thermodynamics of Complex Fluids for Chemical Enhanced Oil Recovery

Graduate Program:

Energy and Mineral Engineering

Keywords:

thermodynamics
enhanced oil recovery
complex fluids
chemical EOR; EOR; phase behavior
microemulsion
flash calculation
characteristic length
solubilization
alkali
soap
viscous layer
emulsion
k-value
partitioning
viscosity
percolation
composition
ternary diagram
lowsal
low salinity
waterflooding
reservoir simulation
kinetics
dispersion
reactive transport
porous media
transport
thermodynamics enhanced oil recovery
EOR
chemical EOR
surfactant
phase behavior
equilibrium
K-value

File:

Download Daulet_Magzymov_PhD_Dissertation_Penn_State.pdf

Committee Members:

Russell Taylor Johns, Dissertation Advisor/Co-Advisor
Russell Taylor Johns, Committee Chair/Co-Chair
Zuleima T Karpyn, Committee Member
Gregory R King, Committee Member
Themis Matsoukas, Outside Member
Mort D Webster, Program Head/Chair

Author:

Zhao, Tiankai

Title:

Mechanics of cell-substrate interaction

Graduate Program:

Engineering Science and Mechanics

Keywords:

cell-substrate interaction
traction force
focal adhesion
myosin motor
thermodynamics
phase-field model
finite elements method

File:

Download Tiankai_Zhao_Dissertation.pdf

Committee Members:

Sulin Zhang, Dissertation Advisor/Co-Advisor
Sulin Zhang, Committee Chair/Co-Chair
Long-Qing Chen, Committee Member
Christian Peco, Committee Member
Spencer Szczesny, Outside Member
Judith Todd Copley, Program Head/Chair

Author:

Wang, Lin

Title:

Computational methods for designing de novo metabolic pathways and genome-minimized chassis strains

Graduate Program:

Chemical Engineering

Keywords:

de novo pathway
minimal genome
metabolic engineering
thermodynamics

File:

Download Dissertation_Lin_Wang.pdf

Committee Members:

Costas D Maranas, Dissertation Advisor/Co-Advisor
Costas D Maranas, Committee Chair/Co-Chair
Andrew Zydney, Committee Member
Antonios Armaou, Committee Member
Andrew David Patterson, Outside Member
Phillip E Savage, Program Head/Chair

Author:

Bocklund, Brandon

Title:

Computational design of additively manufactured functionally graded materials by thermodynamic modeling with uncertainty quantification

Graduate Program:

Materials Science and Engineering

Keywords:

thermodynamics
CALPHAD
alloys
additive manufacturing
uncertainty quantification
functionally graded materials

File:

Download Bocklund-Dissertation-final.pdf

Committee Members:

John Mauro, Program Head/Chair
Zi-Kui Liu, Chair & Dissertation Advisor
Allison Beese, Major Field Member
John Mauro, Major Field Member
Michael Janik, Outside Unit, Field & Minor Member
Richard Otis, Special Member

Author:

Duan, Qiuhua

Title:

Energy Performance Analysis of Photothermal Building Windows

Graduate Program:

Architectural Engineering

Keywords:

building windows
solar infrared radiation
thermodynamics
condensation
low-e coating
energy performance

File:

Download Energy_Performance_Analysis_of_Photothermal_Building_Windows.pdf

Committee Members:

Ali Memari, Major Field Member
Somayeh Asadi, Major Field Member
Julian Wang, Chair & Dissertation Advisor
John Mauro, Outside Unit & Field Member
Sez Atamturktur, Program Head/Chair

Author:

Gesualdi, Jarrod

Title:

Chemistry-structure-property relations in the AlCrFeMnNi alloy system

Graduate Program:

Materials Science and Engineering

Keywords:

electrochemistry
metallurgy
corrosion
microstructure
thermodynamics

File:

Login to Download

Committee Members:

Amanda Johnsen, Outside Unit & Field Member
Hojong Kim, Chair & Dissertation Advisor
Allison Beese, Major Field Member
Susan Sinnott, Major Field Member
John Mauro, Program Head/Chair

Author:

Mandalaparthy, Varun

Title:

The Influence of Cosolvent Interactions Upon Interfaces and Macromolecules

Graduate Program:

Chemistry

Keywords:

protein stability
polymers
proteins
osmolytes
thermodynamics
statistical mechanics
lattice models
protein folding
urea
tmao
simulations
theory
solute interactions
molecular dynamics
monte carlo

File:

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Committee Members:

Paul Cremer, Major Field Member
William Noid, Chair & Dissertation Advisor
Edward O'Brien, Major Field Member
Xiantao Li, Outside Unit & Field Member
Philip Bevilacqua, Program Head/Chair

Author:

Usher, Emery

Title:

Examination of the many regulatory roles of intrinsically disordered proteins

Graduate Program:

Biochemistry, Microbiology, and Molecular Biology

Keywords:

intrinsically disordered proteins
nuclear magnetic resonance
NMR
thermodynamics
biochemistry
biophysics
transcription
regulation
phosphorylation
proteins

File:

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Committee Members:

David Gilmour, Major Field Member
Scott Showalter, Chair & Dissertation Advisor
Song Tan, Major Field Member
Scott Lindner, Outside Unit Member
Amie Boal, Outside Field Member
Wendy Hanna-Rose, Program Head/Chair

Author:

Judd, Kenneth Duane

Title:

Investigating Specific Cation Interactions with Anionic Surfactant Monolayers at the Air/Water Interface Using Nonlinear Spectroscopy and Thermodynamics

Graduate Program:

Chemistry

Keywords:

ion pairing
ion specific effects
monolayers
spectroscopy
nonlinear optics
vibrational spectroscopy
thermodynamics
surfactants

File:

Login to Download

Committee Members:

Paul Cremer, Chair & Dissertation Advisor
Benjamin Lear, Major Field Member
Seong Kim, Outside Unit & Field Member
Mark Maroncelli, Major Field Member
Philip Bevilacqua, Program Head/Chair

Author:

Choi, Saehyun

Title:

COMPLEX COACERVATES AS EXPERIMENTAL MODEL SYSTEMS FOR PREBIOTIC COMPARTMENTS AND CELLULAR BIOCONDENSATES

Graduate Program:

Chemistry

Keywords:

Coacervates
liquid-liquid phase separation
origin of life
protocell
biocondensates
RNA chemistry
thermodynamics

File:

Login to Download

Committee Members:

Paul Cremer, Major Field Member
Christine Keating, Chair & Dissertation Advisor
Philip Bevilacqua, Major Field Member
Philip Bevilacqua, Program Head/Chair
Christopher House, Outside Unit & Field Member

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:

Godzieba, Daniel

Title:

Numerical Studies in Lattice QCD

Graduate Program:

Physics

Keywords:

physics
particle physics
computational physics
qcd
lattice qcd
thermodynamics
quantum field theory
phase transitions

File:

Download godzieba_dissertation.pdf

Committee Members:

Mauricio Terrones, Program Head/Chair
Sarah Shandera, Major Field Member
Anna Stasto, Major Field Member
Hyungsuk Tak, Outside Unit & Field Member
Zoltan Fodor, Chair & Dissertation Advisor