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Start Over Graduate Program Materials Science and Engineering Keyword thermodynamics Keyword CALPHAD

1. 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

2. A computational study of the effects of alloying elements on the thermodynamic and diffusion properties of Mg alloys

open_access
Open Access
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

3. Software architecture for CALPHAD modeling of phase stability and transformations in alloy additive manufacturing processes

open_access
Open Access
Author:
Otis, Richard Albert
Title:
Software architecture for CALPHAD modeling of phase stability and transformations in alloy additive manufacturing processes
Graduate Program:
Materials Science and Engineering
Keywords:
CALPHAD
software
Python
thermodynamics
alloys
additive manufacturing
uncertainty quantification
File:
Download main.pdf
Committee Members:
Zi-Kui Liu, Dissertation Advisor/Co-Advisor
Zi-Kui Liu, Committee Chair/Co-Chair
Allison Michelle Beese, Committee Member
Ismaila Dabo, Committee Member
Qiang Du, Outside Member
Bryan McEnerney, Special Member

4. 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