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Author:

Abdullah, Aboubakr Moustafa

Title:

The USE OF MICROELECTRODES IN THE STUDY OF LOCALIZED CORROSION OF ALUMINUM 6111-LIKE ALLOYS

Graduate Program:

Materials Science and Engineering

Keywords:

Corrosion
Crevice
Intergranular
mechanism
microelectrode
aluminum
aluminum alloys
potential drop
IR
chloride
nitric acid
pH

File:

Download bakr.pdf

Committee Members:

Howard W Pickering, Committee Chair/Co-Chair
Barbara Shaw, Committee Chair/Co-Chair
Zi Kui Liu, Committee Member
Elzbieta Sikora, Committee Member
James Patrick Runt, Committee Member

Author:

Saengdeejing, Arkapol

Title:

A Computational Study of Superconducting Materials: A Case Study in Carbon-Doped MgB₂

Graduate Program:

Materials Science and Engineering

Keywords:

thermodynamic modeling
density functional theory
superconductor
CALPHAD
MgB₂

File:

Download Saengdeejing-Dissertation.pdf

Committee Members:

Zi Kui Liu, Dissertation Advisor/Co-Advisor
Zi Kui Liu, Committee Chair/Co-Chair
Joan Marie Redwing, Committee Member
Vincent Henry Crespi, Committee Member
Qi Li, 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:

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:

Robinson, Joshua Alexander

Title:

Study of Palladium/Gallium Antimonide Rections and Ohmic Contacts to n-type Gallium Antimonide

Graduate Program:

Materials Science and Engineering

Keywords:

Ohmic Contact
Palladium
GaSb

File:

Download JARobinson_-_PhD_Thesis.pdf

Committee Members:

Suzanne E Mohney, Committee Chair/Co-Chair
Elizabeth C Dickey, Committee Member
Zi Kui Liu, Committee Member
S Ashok, 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:

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:

Dellas, Nicholas S

Title:

Silicide and Germanide Contacts to Silicon and Germanium Nanowires

Graduate Program:

Materials Science and Engineering

Keywords:

silicide
Schottky barrier
nanowire
kinetics
nickel

File:

Download NSDellas_PhD_Thesis_Corrections_Final.pdf

Committee Members:

Suzanne E Mohney, Dissertation Advisor/Co-Advisor
Suzanne E Mohney, Committee Chair/Co-Chair
Theresa Stellwag Mayer, Committee Member
Zi Kui Liu, Committee Member
Joan Marie Redwing, 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:

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:

Golumbfskie, William Joseph

Title:

Modeling of the Al-rich Region of the Al-Co-Ni-Y System Via Computational and Experimental Methods for the Development of High Temperature Al-Based Alloys

Graduate Program:

Materials Science and Engineering

Keywords:

Alloy Development
Thermodynamic Modeling
First-Principles Calculations
Al-based Alloy

File:

Download Golumbfskie_Dissertation.pdf

Committee Members:

Zi Kui Liu, Committee Chair/Co-Chair
Maurice Francis Amateau, Committee Chair/Co-Chair
Paul Raymond Howell, Committee Member
Jorge Osvaldo Sofo, Committee Member
Timothy John Eden, 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:

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:

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:

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:

Topbasi, Cem

Title:

microstructural evolution of ferritic-martensitic steels under heavy ion irradiation

Graduate Program:

Materials Science and Engineering

Keywords:

nuclear materials
steels
ion irradiation
iron
defects

File:

Download FINAL_VERSION_THESIS_CEM.pdf

Committee Members:

Arthur Thompson Motta, Dissertation Advisor/Co-Advisor
Clifford Jesse Lissenden Iii, Committee Member
Zi Kui Liu, Committee Member
Clive A Randall, Committee Member
Brian D Wirth, Special 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:

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