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2. A STUDY OF IONIC MATERIALS FOR THE ENERGY APPLICATIONS THROUGH FIRST-PRINCIPLES CALCULATIONS AND CALPHAD MODELING

open_access
Open Access
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

3. THERMODYNAMIC INVESTIGATION OF THE EFFECT OF ALKALI METAL IMPURIES ON THE PROCESSING OF AL AND MG ALLOYS

open_access
Open Access
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

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

open_access
Open Access
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

5. 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.

open_access
Open Access
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

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

open_access
Open Access
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