Search

Start Over Graduate Program Materials Science and Engineering Keyword CALPHAD

1. A Computational Study of Superconducting Materials: A Case Study in Carbon-Doped MgB<sub>2</sub>

open_access
Open Access
Author:
Saengdeejing, Arkapol
Title:
A Computational Study of Superconducting Materials: A Case Study in Carbon-Doped MgB<sub>2</sub>
Graduate Program:
Materials Science and Engineering
Keywords:
thermodynamic modeling
density functional theory
superconductor
CALPHAD
MgB<sub>2</sub>
File:
Download Saengdeejing-Dissertation.pdf
Committee Members:
Zi Kui Liu, Dissertation Advisor/Co-Advisor
Zi Kui Liu, Committee Chair/Co-Chair
Joan Marie Redwing, Committee Member
Vincent Henry Crespi, Committee Member
Qi Li, Committee Member

4. 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

5. AN INTEGRATED APPROACH FOR MICROSTRUCTURE SIMULATION: APPLICATION TO NI-AL-MO ALLOYS

open_access
Open Access
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

6. 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

8. Design of Ni-base superalloys and MCrAlY coatings from first-principles and computational thermodynamics

open_access
Open Access
Author:
Liu, Xuan
Title:
Design of Ni-base superalloys and MCrAlY coatings from first-principles and computational thermodynamics
Graduate Program:
Materials Science and Engineering
Keywords:
Superalloy
MCrAlY
CALPHAD
Nb-Re
First-Principles
File:
Download 2015-4-8-X-Liu-Thesis-V31.pdf
Committee Members:
Zi Kui Liu, Dissertation Advisor/Co-Advisor
Zi Kui Liu, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Vincent Henry Crespi, Committee Member
William George Noid, Committee Member
Brian Gleeson, Special Member

9. 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

10. 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