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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:

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:

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