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Author:

Saal, James Edward

Title:

Thermodynamic Modeling of the Reactive Sintering of Nd:YAG

Graduate Program:

Materials Science and Engineering

Keywords:

CALPHAD
first-principles
phase equilibria
ceramic processing

File:

Download James-Dissertation.pdf

Committee Members:

Zi Kui Liu, Thesis Advisor/Co-Advisor
Zi Kui Liu, Thesis Advisor/Co-Advisor

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:

Ling, Yan

Title:

FIRST-PRINCIPLES CALCULATIONS AND THERMODYNAMIC MODELING OF THE HF-RE BINARY SYSTEM WITH EXTENSION TO THE HF-NI-RE TERNARY SYSTEM

Graduate Program:

Materials Science and Engineering

Keywords:

thermodynamics
Ni-Hf-Re
hafnium
rhenium
Hf-Re
CALPHAD
first-principles
Ni-based superalloys
modeling

File:

Download Ling_MS_final5.pdf

Committee Members:

Paul Raymond Howell, Thesis Advisor/Co-Advisor
Zi Kui Liu, Thesis Advisor/Co-Advisor

Author:

Zhang, Lei

Title:

Thermodynamic investigation of transition metal oxides via CALPHAD and first-principles methods

Graduate Program:

Materials Science and Engineering

Keywords:

CALPHAD
transition metal oxides
phase stability
first-principles
defect

File:

Download Lei-MSThesis-v6.pdf

Committee Members:

Zi Kui Liu, Thesis Advisor/Co-Advisor

Author:

Marker, Cassie Lou

Title:

Development of a knowledge base of Ti-alloys from first-principles and thermodynamic modeling

Graduate Program:

Materials Science and Engineering

Keywords:

Titanium
CALPHAD
DFT
Biomaterials
first-principles
thermodynamics
mechanical properties

File:

Download Cassie_Marker-Dissertation_final.pdf

Committee Members:

Zi-Kui Liu, Dissertation Advisor/Co-Advisor
Zi-Kui Liu, Committee Chair/Co-Chair
Allison Michelle Beese, Committee Member
Susan B Sinnott, Committee Member
Kristen Ann Fichthorn, Outside Member
Michael Manley, Special Member