Search

Start Over 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

3. THEORETICAL STUDIES OF ALUMINUM AND ALUMINIDE ALLOYS USING CALPHAD AND FIRST-PRINCIPLES APPROACH

open_access
Open Access
Author:
Jiang, Chao
Title:
THEORETICAL STUDIES OF ALUMINUM AND ALUMINIDE ALLOYS USING CALPHAD AND FIRST-PRINCIPLES APPROACH
Graduate Program:
Materials
Keywords:
DICTRA
B2 Aluminide
Aluminum Alloy
SQS
First-Principles
CALPHAD
File:
Download PhD_Thesis.pdf
Committee Members:
Zi Kui Liu, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Jorge Osvaldo Sofo, Committee Member
Robert Carl Voigt, Committee Member

5. 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

6. 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

7. 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

9. 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

10. 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