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Start Over Graduate Program Materials Science and Engineering Committee Member Long Qing Chen Committee Member Vincent Henry Crespi

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

open_access
Open Access
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

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

open_access
Open Access
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

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

open_access
Open Access
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

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

open_access
Open Access
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

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

open_access
Open Access
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

6. The symmetry and antisymmetry of distortions

open_access
Open Access
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