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Author:

Soukiassian, Arsen

Title:

GROWTH OF NANOSCALE BaTiO3/SrTiO3 SUPERLATTICES BY MOLECULAR-BEAM EPITAXY

Graduate Program:

Materials Science and Engineering

Keywords:

Ferroelectric thin films
ferroelectric superlattices
epitaxial growth
oxide MBE
ferroelectric phase transitions
UV Raman spectroscopy

File:

Download Thesis_updated5.pdf

Committee Members:

Xiaoxing Xi, Committee Chair/Co-Chair
Darrell G Schlom, Committee Chair/Co-Chair
Mark William Horn, Committee Member
Long Qing Chen, Committee Member
Venkatraman Gopalan, Committee Member
James Patrick Runt, Committee Member

Author:

Kumar, Amit

Title:

SPIN-CHARGE-LATTICE COUPLING IN MULTIFERROICS AND STRAINED FERROELECTRICS

Graduate Program:

Materials Science and Engineering

Keywords:

Multiferroics
Strained Ferroelectrics
Spin-charge coupling

File:

Download ThesisFinal_Amit.pdf

Committee Members:

Venkatraman Gopalan, Dissertation Advisor/Co-Advisor
Venkatraman Gopalan, Committee Chair/Co-Chair
Clive A Randall, Committee Member
Long Qing Chen, Committee Member
Nitin Samarth, Committee Member

Author:

Arora, Amit

Title:

THERMOMECHANICAL CONDITIONS AND STRESSES ON THE FRICTION STIR WELDING TOOL

Graduate Program:

Materials Science and Engineering

Keywords:

friction stir welding
tool design
stresses
theromechanical modeling

File:

Download Amit_Arora_MATSE_PhD_2011.pdf

Committee Members:

Prof Tarasankar Deb Roy, Dissertation Advisor/Co-Advisor
Tarasankar Debroy, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Kwadwo Osseo Asare, Committee Member
Panagiotis Michaleris, Committee Member
Todd Palmer, Committee Member

Author:

Kumar, Amit

Title:

Tailoring Defect Free Fusion Welds Based on Phenomenological Modeling

Graduate Program:

Materials Science and Engineering

Keywords:

Gas Metal Arc fillet welding
Heat transfer and fluid flow
Optimization
Neural network
Humping defects
Reliability of calculations

File:

Download ThesisMaster.pdf

Committee Members:

Tarasankar Debroy, Committee Chair/Co-Chair
Kwadwo Osseo Asare, Committee Member
Long Qing Chen, Committee Member
Kenneth K Kuo, Committee Member
John W Elmer, Committee Member

Author:

Aravind, Vasudeva Rao

Title:

Probing local structure and dynamics of ferroelectric domain walls using nonlinear optics and scanning probe microscopy

Graduate Program:

Materials Science and Engineering

Keywords:

piezoresponse force microscopy
scanning probe microscopy
optical second harmonic generation
multiferroic
ferroelectric
strontium titanate
lithium niobate

File:

Download Thesis_Final.pdf

Committee Members:

Venkatraman Gopalan, Dissertation Advisor/Co-Advisor
Venkatraman Gopalan, Committee Chair/Co-Chair
Darrell G Schlom, Committee Member
Long Qing Chen, Committee Member
Xiaoxing Xi, Committee Member

Author:

Ribic, Brandon David

Title:

MODELING OF PLASMA AND THERMO-FLUID TRANSPORT IN HYBRID WELDING

Graduate Program:

Materials Science and Engineering

Keywords:

fluid flow
heat transfer
surface active elements
numerical modeling
laser-arc hybrid welding
plasma properties
keyhole mode welding

File:

Download THESIS_RIBIC_B.pdf

Committee Members:

Dr Tarasankar Deb Roy, Dissertation Advisor/Co-Advisor
Tarasankar Debroy, Committee Chair/Co-Chair
Christopher Muhlstein, Committee Member
Long Qing Chen, Committee Member
Jian Xu, Committee Member
Todd Palmer, Committee Member

Author:

Marx, Brian M.

Title:

Exploring the Mechanisms of Passivity on Iron: Experimental Methods for Characterizing and Developing Models to Describe Nano-oxide Growth

Graduate Program:

Materials Science and Engineering

Keywords:

Point Defect Model
XPS
Impedance
Iron Oxide
Iron
Passive layer

File:

Download BrianMarx-Thesis.pdf

Committee Members:

Digby D Macdonald, Committee Chair/Co-Chair
Howard W Pickering, Committee Member
Long Qing Chen, Committee Member
Thomas E Mallouk, Committee Member

Author:

Kim, DongEung

Title:

THERMODYNAMIC MODELING AND PREDICTION OF ELASTIC AND THERMAL EXPANSION PROPERTIES OF NI-BASE SUPERALLOYS: APPLICATION TO NI-AL-PT-CR-HF SYSTEM WITH γ AND γ' PHASES

Graduate Program:

Materials Science and Engineering

Keywords:

thermodynamic modeling
Ni-base superalloys
elastic property
thermal expansion property

File:

Download DongEung_Kim-Dissertation-Final.pdf

Committee Members:

Zi Kui Liu, Dissertation Advisor/Co-Advisor
Zi Kui Liu, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Digby D Macdonald, Committee Member
Jorge Osvaldo Sofo, Committee Member

Author:

Shin, Dongwon

Title:

Thermodynamic properties of solid solutions from special quasirandom structures and CALPHAD modeling: Application to Al-Cu-Mg-Si and Hf-Si-O

Graduate Program:

Materials Science and Engineering

Keywords:

special quasirandom structures
thermodynamic modeling
first-principles calculations
solid solution phases

File:

Download DongwonShin.pdf

Committee Members:

Zi Kui Liu, Committee Chair/Co-Chair
Long Qing Chen, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Vincent Henry Crespi, Committee Member

Author:

Vlahos, Eftihia

Title:

Phase Transitions and Domain Structures in Multiferroics

Graduate Program:

Materials Science and Engineering

Keywords:

confocal microscopy
thin films
multiferroics
nonlinear optics
phase transitions
symmetry

File:

Download EVlahosDissertationFinal.pdf

Committee Members:

Venkatraman Gopalan, Dissertation Advisor/Co-Advisor
Venkatraman Gopalan, Committee Chair/Co-Chair
Clive A Randall, Committee Member
Long Qing Chen, Committee Member
Zhiwen Liu, Committee Member

Author:

Sheng, Guang

Title:

PHASE-FIELD SIMULATION OF PHASE TRANSITIONS, DOMAIN STABILITIES AND STRUCTURES IN FERROELECTRIC THIN FILMS

Graduate Program:

Materials Science and Engineering

Keywords:

thin film
ferroelectric
phase-field
domain stability

File:

Download Guang_Sheng_PhD_thesis.pdf

Committee Members:

Long Chen, Dissertation Advisor/Co-Advisor
Long Qing Chen, Committee Chair/Co-Chair
Zi Kui Liu, Committee Chair/Co-Chair
Venkatraman Gopalan, Committee Member
Qiang Du, Committee Member
Qi Li, Committee Member

Author:

Zhang, Hui

Title:

THERMODYNAMIC PROPERTIES OF MG BASED ALLOYS BY CALPHAD APPROACH COUPLED WITH FIRST-PRINCIPLES: APPLICATION TO MG-AL-CA-CE-SI SYSTEM

Graduate Program:

Materials Science and Engineering

Keywords:

Mg alloys
Intermetallics
First-principles
Calculation of phase diagram

File:

Download Hui_thesis.pdf

Committee Members:

Dr Zi Kui Liu And Dr Long Qing Chen, Dissertation Advisor/Co-Advisor
Zi Kui Liu, Committee Chair/Co-Chair
Long Qing Chen, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Digby D Macdonald, Committee Member

Author:

Bao, Jianer

Title:

FUNDAMENTAL ASPECTS OF ELECTROCATALYSIS OF THE HYDROGEN ELECTRODE REACTION AND OXYGEN ELECTRODE REACTION ON PLATINUM

Graduate Program:

Materials Science and Engineering

Keywords:

tunneling current
electrocatalysis
platinum
platinum oxide film
Fuel cells
quantum electrochemistry

File:

Download ThesisMaster.pdf

Committee Members:

Digby D Macdonald, Committee Chair/Co-Chair
Thomas E Mallouk, Committee Member
Long Qing Chen, Committee Member
Susan E Trolier Mckinstry, Committee Member

Author:

Lee, June Hyuk

Title:

GROWTH OF MULTIFERROIC OXIDES BY MOLECULAR-BEAM EPITAXY

Graduate Program:

Materials Science and Engineering

Keywords:

Molecular-beam epitaxy
Multiferroics
Ferroelectrics
Ferromagnet

File:

Download Thesis-2010-v10.pdf

Committee Members:

L Q Chen, Dissertation Advisor/Co-Advisor
Long Qing Chen, Committee Chair/Co-Chair
Venkatraman Gopalan, Committee Member
Zi Kui Liu, Committee Member
Peter E Schiffer, Committee Member

Author:

Zhang, Jingxian

Title:

PHASE-FIELD SIMULATIONS OF MICORSTRUCTURES INVOLVING LONG-RANGE ELASTIC, MAGNETOSTATIC AND ELECTROSTATIC INTERACTIONS

Graduate Program:

Materials Science and Engineering

Keywords:

multiferroic
ferromagnetic
ferroelectric
phase-field

File:

Download JingxianThesis.pdf

Committee Members:

Long Qing Chen, Committee Chair/Co-Chair
Zi Kui Liu, Committee Chair/Co-Chair
Darrell G Scholm, Committee Member
Qiang Du, Committee Member

Author:

Chang, Kunok

Title:

QUANTITATIVE EVALUATION OF TOPOLOGICAL MEASURES FROM GRAIN STRUCTURES GENERATED BY LARGE-SCALE PHASE-FIELD SIMULATIONS OF GRAIN GROWTH

Graduate Program:

Materials Science and Engineering

Keywords:

Phase-field
Grain growth
Zener pinning
Topological measures

File:

Download KunokChang.pdf

Committee Members:

Long Qing Chen, Dissertation Advisor/Co-Advisor
Long Qing Chen, Committee Chair/Co-Chair
Qiang Du, Committee Member
Christopher Muhlstein, Committee Member
Gary Lynn Messing, Committee Member

Author:

Biegalski, Michael David

Title:

EPITAXIALY STRAINED STRONTIUM TITANATE

Graduate Program:

Materials Science and Engineering

Keywords:

Thin Film
Strontium Titante
Strain
Ferroelectric
Relaxor
Epitaxy

File:

Download Mike_Ph.D._THESIS.pdf

Committee Members:

Susan E Trolier Mckinstry, Committee Chair/Co-Chair
Darrell G Schlom, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Venkatraman Gopalan, Committee Member
Qiming Zhang, Committee Member

Author:

Samantaray, Malay Milan

Title:

Effects of Microstructural Defects on the Performance of Base-metal Multilayer Ceramic Capacitors

Graduate Program:

Materials Science and Engineering

Keywords:

finite element modeling
microstructure
multilayer ceramic capacitors
degradation

File:

Download Thesis_Malay_Samantaray.pdf

Committee Members:

Prof Clive A Randall, Dissertation Advisor/Co-Advisor
Clive A Randall, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Susan E Trolier Mckinstry, Committee Member
Gerald Dennis Mahan, Committee Member
Elizabeth C Dickey, Committee Chair/Co-Chair
Thomas Nelson Jackson, Committee Member

Author:

Mantina, Manjeera

Title:

A FIRST-PRINCIPLES METHODOLOGY FOR DIFFUSION COEFFICIENTS IN METALS AND DILUTE ALLOYS

Graduate Program:

Materials Science and Engineering

Keywords:

First-principles
tracer diffusion coefficients
metals
dilute alloys
fcc
bcc
hcp
self-diffusion
impurity diffusion

File:

Download Manjeera-Dissertation.pdf

Committee Members:

Zi Kui Liu, Committee Chair/Co-Chair
Long Qing Chen, Committee Chair/Co-Chair
Suzanne E Mohney, Committee Member
Jorge Osvaldo Sofo, Committee Member

Author:

Lim, Peck Cheng

Title:

Development and Characterization of Direct Ethanol Fuel Cells Using Alkaline Anion-Exchange Membranes

Graduate Program:

Materials Science and Engineering

Keywords:

Membrane-Electrode Assembly
Anion-Exchange Membrane
Alkaline Membrane Fuel Cell
Hydrogen
Ethanol

File:

Download PCLim_PSU_Dissertation_Final.pdf

Committee Members:

Chao Yang Wang, Dissertation Advisor/Co-Advisor
Chao Yang Wang, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Qing Wang, Committee Member
Mirna Urquidi Macdonald, Committee Member

Author:

Wang, Qinglei

Title:

Grain Boundary Segregation and Blocking Effects in Polycrystalline TiO2

Graduate Program:

Materials Science and Engineering

Keywords:

grain boundary segregation
TiO2

File:

Download Thesis_QingleiWang_final.pdf

Committee Members:

Elizabeth C Dickey, Committee Chair/Co-Chair
Clive A Randall, Committee Member
Long Qing Chen, Committee Member
Theresa Stellwag Mayer, Committee Member

Author:

Rai, Rohit

Title:

MODELING OF HEAT TRANSFER AND FLUID FLOW IN KEYHOLE MODE WELDING

Graduate Program:

Materials Science and Engineering

Keywords:

genetic algorithm
numerical modeling
keyhole mode welding
electron beam
laser

File:

Download Final.pdf

Committee Members:

Tarasankar Debroy, Dissertation Advisor/Co-Advisor
Tarasankar Debroy, Committee Chair/Co-Chair
Ivica Smid, Committee Member
Long Qing Chen, Committee Member
Suzanne E Mohney, Committee Member
Todd Palmer, Committee Member

Author:

Nandan, Rituraj

Title:

Computational modeling of heat transfer and visco-plastic flow in Friction Stir Welding

Graduate Program:

Materials Science and Engineering

Keywords:

torque
reliability
differential algorithm
viscoplastic flow
friction coeffiecient
finite volume method
parametric study
friction stir welding
aluminum alloys
heat generation
heat transfer
variable slip

File:

Download Rituraj-Dissertation.pdf

Committee Members:

Tarasankar Debroy, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Christopher L Muhlstein, Committee Member
Panagiotis Michaleris, Committee Member

Author:

Lee, Sung Hoon

Title:

A STUDY OF IONIC MATERIALS FOR THE ENERGY APPLICATIONS THROUGH FIRST-PRINCIPLES CALCULATIONS AND CALPHAD MODELING

Graduate Program:

Materials Science and Engineering

Keywords:

Ionic materials
energy
CALPHAD
first-principles

File:

Download Sunghoon.pdf

Committee Members:

Dr Zi Kui Liu, Dissertation Advisor/Co-Advisor
Zi Kui Liu, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Clive A Randall, Committee Member
Jorge Osvaldo Sofo, Committee Member

Author:

Mishra, Saurabh

Title:

TAILORING WELD GEOMETRY AND COMPOSITION IN FUSION WELDING THROUGH CONVECTIVE MASS TRANSFER CALCULATIONS

Graduate Program:

Materials Science and Engineering

Keywords:

Neural Network
Genetic Algorithm
Mass Transfer in Welding
Liquation Cracking
Effect of Sulfur

File:

Download Thesis_Saurabh_Mishra.pdf

Committee Members:

Tarasankar Debroy, Committee Chair/Co-Chair
Kwadwo Osseo Asare, Committee Member
Long Qing Chen, Committee Member
Judith Todd Copley, Committee Member

Author:

Choudhury, Samrat

Title:

COMPUTER SIMULATIONS OF FERROELECTRIC DOMAIN STRUCTURE AND SWITCHING USING PHASE-FIELD APPROACH

Graduate Program:

Materials Science and Engineering

Keywords:

phase-field
ceramics
switching
grain
domains
defects

File:

Download thesis-samrat-v6.pdf

Committee Members:

Long Qing Chen, Committee Chair/Co-Chair
Dr C A Randall, Committee Member
Venkatraman Gopalan, Committee Member
Dr D G Schlom, Committee Member
Dr X X Xi, Committee Member

Author:

Ganeshan, Swetha

Title:

A first-principles study of elastic and diffusion properties of Magnesium based alloys

Graduate Program:

Materials Science and Engineering

Keywords:

diffusion coefficients
First-principles
elastic properties
Magnesium

File:

Download Ganeshan_Thesis.pdf

Committee Members:

Dr Zi Kui Liu, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Digby D Macdonald, Committee Member
Long Qing Chen, Committee Member

Author:

Hu, Shenyang

Title:

Phase-field Models of Microstructure Evolution in a System with Elastic Inhomogeneity and Defects

Graduate Program:

Materials Science and Engineering

Keywords:

Phase-field model
microstructure evolution
precipitation in alloys
interfacial energy anisotropy
interface mobility anisotropy
dislocations
thin film and elastic inhomogeneity.

File:

Download PhDThesisSYHU.pdf

Committee Members:

Long Qing Chen, Committee Chair/Co-Chair
David John Green, Committee Chair/Co-Chair
Qiang Du, Committee Member
Zi Kui Lui, Committee Member

Author:

Zhang, Shengjun

Title:

THERMODYNAMIC INVESTIGATION OF THE EFFECT OF ALKALI METAL IMPURIES ON THE PROCESSING OF AL AND MG ALLOYS

Graduate Program:

Materials Science and Engineering

Keywords:

Mg alloys
High temperature embrittlement
alkali metal impurities
Al alloys
first-principles
Thermodynamics

File:

Download Zhang-Thesis-04.pdfDownload Corrected_Title_Page_S_Zhang.pdf

Committee Members:

Zi Kui Liu, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Earle Richard Ryba, Committee Member
Robert Carl Voigt, Committee Member

Author:

Wang, Tao

Title:

AN INTEGRATED APPROACH FOR MICROSTRUCTURE SIMULATION: APPLICATION TO NI-AL-MO ALLOYS

Graduate Program:

Materials Science and Engineering

Keywords:

Microstructure evolution
Ni-base superalloy
First-principle
CALPHAD
Phase-field

File:

Download PhD_Thesis_TaoWang.pdf

Committee Members:

Zi Kui Liu, Committee Chair/Co-Chair
Long Qing Chen, Committee Chair/Co-Chair
Padma Raghavan, Committee Member
Jorge Osvaldo Sofo, Committee Member

Author:

Vaithyanathan, Venugopalan

Title:

Phase-field Simulations of Coherent Precipitate Morphologies and Coarsening Kinetics

Graduate Program:

Materials Science and Engineering

Keywords:

phase-field model
3D simulation
first-principles phase-field coupling
coarsening of gamma-prime precipitates
multiscale model
anomalous coarsening

File:

Download thesis.pdf

Committee Members:

Zi Kui Liu, Committee Member
John Richard Hellmann Jr., Committee Member
Long Qing Chen, Committee Chair/Co-Chair
Darrell G Schlom, Committee Member
Qiang Du, Committee Member

Author:

Feng, Weiming

Title:

PHASE-FIELD MODELS OF MICROSTRUCTURE EVOLUTION AND NEW NUMERICAL STRATEGIES

Graduate Program:

Materials Science and Engineering

Keywords:

phase-field
microstructure
moving mesh
anisotropic mobility

File:

Download Dissertation_Weiming_Feng.pdf

Committee Members:

Long Chen, Dissertation Advisor/Co-Advisor
Long Qing Chen, Committee Chair/Co-Chair
Zi Kui Liu, Committee Member
Qiang Du, Committee Member
Padma Raghavan, Committee Member

Author:

Zhang, Wei

Title:

Probing Heat Transfer, Fluid Flow and Microstructural Evolution during Fusion Welding of Alloys

Graduate Program:

Materials Science and Engineering

Keywords:

fusion welding
phase transformation
fluid flow
heat transfer
diffusion
free surface

File:

Download thesis_weizhang.pdf

Committee Members:

Tarasankar Debroy, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
John W Elmer, Committee Member
Panagiotis Michaleris, Committee Member
Judith Todd Copley, Committee Member

Author:

Guan, Xueyong

Title:

ELECTROCHEMICAL STUDY OF CORROSION PROCESSES IN HIGH SUBCRITICAL AND SUPERCRITICAL AQUEOUS SYSTEMS

Graduate Program:

Materials Science and Engineering

Keywords:

supercritical water oxidation
high subcritical and supercritical aqueous systems
electrochemical noise analysis
electrochemical corrosion mechanism
chemical corrosion mechanism
pressure
volume of activation
corrosion rates
energy of activation of corrosion processes

File:

Download Thesis.pdf

Committee Members:

Digby D Macdonald, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Paul Raymond Howell, Committee Member
Fan Bill B Cheung, Committee Member

Author:

He, Xiuli

Title:

HEAT TRANSFER, FLUID FLOW AND MASS TRANSFER IN LASER WELDING OF STAINLESS STEEL WITH SMALL LENGTH SCALE

Graduate Program:

Materials Science and Engineering

Keywords:

Heat transfer and fluid flow
stainless steel
Laser welding

File:

Download Thesis_Xiuli.pdf

Committee Members:

Tarasankar Debroy, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Christopher Muhlstein, Committee Member
Stephen M Copley, Committee Member

Author:

Huang, Xiaoming

Title:

DEVELOPMENT AND CHARACTERIZATION OF MEMBRANE ELECTRODE ASSMEBLY OF DIRECT METHANOL FUEL CELLS USING HYDROCARBON MEMBRANES AND SUPPORTED CATALYSTS

Graduate Program:

Materials Science and Engineering

Keywords:

DMFC
electrolyte membrane
supported catalyst

File:

Download All.pdf

Committee Members:

Chao Yang Wang, Dissertation Advisor/Co-Advisor
Chao Yang Wang, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Elizabeth C Dickey, Committee Member
Michael John Janik, 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:

Zhong, Yu

Title:

Investigation in Mg-Al-Ca-Sr-Zn System by Computational Thermodynamics Approach Coupled with First-Principles Energetics and Experiments

Graduate Program:

Materials Science and Engineering

Keywords:

Computational Thermodynamics
Mg Alloy
Creep Resistance
First-Principles

File:

Download The_Pennsylvania_State_University.pdf

Committee Members:

Vincent Henry Crespi, Committee Member
Jorge Osvaldo Sofo, Committee Member
Long Qing Chen, Committee Member
Zi Kui Liu, Committee Chair/Co-Chair

Author:

Chen, Yingzi

Title:

THE OXIDATION AND HYDRIDING OF ZIRCALOY FUEL CLADDING IN HIGH TEMPERATURE AQUEOUS SOLUTIONS

Graduate Program:

Materials Science and Engineering

Keywords:

oxidation/hydriding mechanism
Zircaloy-4
zirconium
passive film
point defect model

File:

Download thesis.pdf

Committee Members:

Digby D Macdonald, Committee Chair/Co-Chair
Mirna Urquidi Macdonald, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Earle Richard Ryba, Committee Member
W Murray Small, Committee Member

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:

Heo, Tae Wook

Title:

Phase-field modeling of microstructure evolution in elastically inhomogeneous polycrystalline materials

Graduate Program:

Materials Science and Engineering

Keywords:

Phase-field model
Microstructure evolution
Polycrystalline materials
Diffusional processes
Structural transformations
Inhomogeneous elasticity

File:

Download PhD_Dissertation_TaeWookHeo_final.pdf

Committee Members:

Long Qing Chen, Dissertation Advisor/Co-Advisor
Zi Kui Liu, Committee Member
David John Green, Committee Member
Qiang Du, Committee Member

Author:

Zacherl, Chelsey Leanne

Title:

A computational investigation of the effect of alloying elements on the thermodynamic and diffusion properties of fcc Ni alloys, with application to the creep rate of dilute Ni-X alloys.

Graduate Program:

Materials Science and Engineering

Keywords:

Ni-base superalloys
thermodynamic modeling
self-diffusion
impurity diffusion
non-dilute impurity diffusion
first-principles

File:

Download Zacherl-Dissertation-Final.pdf

Committee Members:

Zi Kui Liu, Dissertation Advisor/Co-Advisor
Zi Kui Liu, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Paul Raymond Howell, Committee Member
Jorge Osvaldo Sofo, Committee Member

Author:

Winchester, Benjamin Michael

Title:

A Phase-field Investigation of Domain Structures in Ferroelectric Bismuth Ferrite Thin Films

Graduate Program:

Materials Science and Engineering

Keywords:

ferroelectric
diffuse interface
phase-field
bismuth ferrite

File:

Download Bens_awesome_thesis.pdf

Committee Members:

Long Qing Chen, Dissertation Advisor/Co-Advisor
Long Qing Chen, Committee Chair/Co-Chair
Venkatraman Gopalan, Committee Member
Roman Engel Herbert, Committee Member
Qiang Du, Committee Member
Qiang Du, Special Member

Author:

Xing, Wenting

Title:

Phase-field Models of iron phosphate and lithium iron phosphate binary system

Graduate Program:

Materials Science and Engineering

Keywords:

Lithium-ion battery
lithium iron phosphate
coherency strain energy

File:

Download Wenting_Xing_MS_Thesis.pdf

Committee Members:

Long Qing Chen, Thesis Advisor/Co-Advisor

Author:

Duan, Chen

Title:

computer simulations of ferroelectric local switching by phase-field approach

Graduate Program:

Materials Science and Engineering

Keywords:

ferroelectric phase-field approach

File:

Download finalthesis_chenduan.pdf

Committee Members:

Long Qing Chen, Thesis Advisor/Co-Advisor

Author:

Lee, Che-hui

Title:

MBE Growth and Properties of Sr(n+1)Ti(n)O(3n+1) Ruddlesden-Popper Phases

Graduate Program:

Materials Science and Engineering

Keywords:

MBE
oxide
Ruddlesden-Popper
strain
tunable dielectrics

File:

Download Che-Hui_thesis_v5.pdf

Committee Members:

Long Qing Chen, Dissertation Advisor/Co-Advisor
Long Qing Chen, Committee Chair/Co-Chair
Zi Kui Liu, Committee Member
Venkatraman Gopalan, Committee Member
Renee Denise Diehl, Committee Member
Darrell Schlom, Special Member
Xiaoxing Xi, Special Member

Author:

Brooks, Charles M

Title:

The growth of strontium titanate and lutetium ferrite thin films by molecular-beam epitaxy

Graduate Program:

Materials Science and Engineering

Keywords:

oxide
thin film
MBE
epitaxy
SrTiO3
LuFe2O4
molecular-beam epitaxy
strontium titanate
lutetium ferrite

File:

Download 1-CMBrooks-Dissertaton.pdf

Committee Members:

Long Qing Chen, Dissertation Advisor/Co-Advisor
Long Qing Chen, Committee Chair/Co-Chair
Venkatraman Gopalan, Committee Member
Zi Kui Liu, Committee Member
Raymond Edward Schaak, Committee Member
Darrell Schlom, Special Member

Author:

Wang, Yi

Title:

A FIRST-PRINCIPLES STUDY OF STACKING FAULTS AND LONG PERIODIC STACKING ORDER STRUCTURES IN MG AND MG ALLOYS

Graduate Program:

Materials Science and Engineering

Keywords:

Stacking fault
Long periodic stacking order (LPSO)
Deformation electron density
Atomic array/cluster

File:

Download 2013-BillYiWang-PhD-Dissertation-Mg-SF-LPSOs--V3.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
Suzanne E Mohney, Committee Member
Suveen N Mathaudhu, Special Member

Author:

Cao, Ye

Title:

Phase-field simulation of defect transport, current evolution and piezoelectric response in dielectric and ferroelectric oxides

Graduate Program:

Materials Science and Engineering

Keywords:

Phase-field model
defect transport
resistance degradation
ferroelectric oxides

File:

Download Ye_Cao_PhD_thesis_v4.pdf

Committee Members:

Long Qing Chen, Dissertation Advisor/Co-Advisor
Long Qing Chen, Committee Chair/Co-Chair
Clive A Randall, Committee Member
Venkatraman Gopalan, Committee Member
Gerald Dennis Mahan, Committee Member

Author:

Maier, Russell Alan

Title:

Dynamics of Oxygen Vacancies and Defect Complexes in the Perovskite Oxide Structure

Graduate Program:

Materials Science and Engineering

Keywords:

oxygen vacancy
EPR
impedance
defect complex
ionic conductivity

File:

Download Russell_Maier_Dissertation.pdf

Committee Members:

Clive A Randall, Dissertation Advisor/Co-Advisor
Susan�Trolier�McKinstry, Committee Chair/Co-Chair
Patrick M Lenahan, Committee Member
Shujun Zhang, Committee Member
Long Qing Chen, Committee Member

Author:

Marincel, Daniel Michael

Title:

The influence of crystal defects on domain wall motion in thin film Pb(zr,ti)o3

Graduate Program:

Materials Science and Engineering

Keywords:

ferroelectrics
domain walls
nonlinear response
piezoresponse force microscopy
transmission electron microscopy

File:

Download Marincel_Dissertation_Final.pdf

Committee Members:

Dr Susan Trolier Mc Kinstry, Dissertation Advisor/Co-Advisor
Dr Susan Trolier Mc Kinstry, Committee Chair/Co-Chair
Clive A Randall, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Dr Qiming Zhang, Committee Member
Sergei V Kalinin, Special Member
Clive A Randall, Dissertation Advisor/Co-Advisor

Author:

GU, YIJIA

Title:

Phase-field Modeling of Flexoelectric Effect in Perovskite Ferroelectrics

Graduate Program:

Materials Science and Engineering

Keywords:

Flexoelectric effect
ferroelectrics
phase-field method

File:

Download PhD_Dissertation_Yijia_Gu__final_.pdf

Committee Members:

Long Qing Chen, Dissertation Advisor/Co-Advisor
Long Qing Chen, Committee Chair/Co-Chair
Venkatraman Gopalan, Committee Member
Clive A Randall, Committee Member
Susan E Trolier Mckinstry, Committee Member
Qiang Du, Committee Member
James Chen, Special Member

Author:

Cao, Lei

Title:

Engineering Of Electrode Structure Of Automotive Li-ion Batteries

Graduate Program:

Materials Science and Engineering

Keywords:

lithium-ion battery
ionic conductivity
solid diffusion coefficient
LS-GITT
PVDF SBR/CMC binder
multifunctional powerpanel

File:

Download Lei_Cao_Dissertation_Final.pdf

Committee Members:

Chao Yang Wang, Dissertation Advisor/Co-Advisor
Chao Yang Wang, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Michael Anthony Hickner, Committee Member
Christopher Rahn, Committee Member

Author:

Liu, Xuan

Title:

Design of Ni-base superalloys and MCrAlY coatings from first-principles and computational thermodynamics

Graduate Program:

Materials Science and Engineering

Keywords:

Superalloy
MCrAlY
CALPHAD
Nb-Re
First-Principles

File:

Download 2015-4-8-X-Liu-Thesis-V31.pdf

Committee Members:

Zi Kui Liu, Dissertation Advisor/Co-Advisor
Zi Kui Liu, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Vincent Henry Crespi, Committee Member
William George Noid, Committee Member
Brian Gleeson, Special Member

Author:

Britson, Jason Curtis

Title:

Phase Field Simulation of Domain Switching Dynamics in Multi-axial Lead Zirconate Titanate Thin Films

Graduate Program:

Materials Science and Engineering

Keywords:

Ferroelectrics
Phase Field
Domain Switching
Thin Films
PZT

File:

Download Britson_Dissertation_2015.pdf

Committee Members:

Long Qing Chen, Dissertation Advisor/Co-Advisor
Clive A Randall, Committee Member
Venkatraman Gopalan, Committee Member
Michael T Lanagan, Special Member

Author:

Vanleeuwen, Brian Kevin

Title:

The symmetry and antisymmetry of distortions

Graduate Program:

Materials Science and Engineering

Keywords:

symmetry
antisymmetry
crystallography
space groups

File:

Download VanLeeuwen_Dissertation_6-28-2015.pdf

Committee Members:

Venkatraman Gopalan, Dissertation Advisor/Co-Advisor
Long Qing Chen, Committee Member
Zhiwen Liu, Committee Member
Vincent Henry Crespi, Committee Member
Daniel Bernard Litvin, Special Member

Author:

Xue, Fei

Title:

Landau Theory and Phase-field Simulations on the Phase Transitions and Domain Structures in Multiferroic Bismuth Ferrite and Hexagonal Manganites

Graduate Program:

Materials Science and Engineering

Keywords:

Landau Theory
Phase-field Simulation
Phase Transitions
Domain Structures
Bismuth Ferrite
Hexagonal Manganites

File:

Download PhD_Dissertation_Fei_Xue__final_.pdf

Committee Members:

Long Qing Chen, Dissertation Advisor/Co-Advisor
Qiang Du, Committee Member
Clive A Randall, Committee Member
Venkatraman Gopalan, Committee Member

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:

Sen Gupta, Arnab

Title:

Topochemical Synthesis & Characterization of Octahedral Rotation Induced Noncentrosymmetric Layered Perovskites

Graduate Program:

Materials Science and Engineering

Keywords:

noncentrosymmetry
octahedral rotations
perovskites
second harmonic generation

File:

Download Tuesday_-_4-19-2016_Dissertation_ASG.pdf

Committee Members:

Venkatraman Gopalan, Dissertation Advisor/Co-Advisor
Thomas E Mallouk, Dissertation Advisor/Co-Advisor
Venkatraman Gopalan, Committee Chair/Co-Chair
Susan E Trolier Mckinstry, Committee Member
Long Qing Chen, Committee Member
Zhiwen Liu, Committee Member