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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:

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:

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