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1. Thermodynamic properties of solid solutions from special quasirandom structures and CALPHAD modeling: Application to Al-Cu-Mg-Si and Hf-Si-O

open_access
Open Access
Author:
Shin, Dongwon
Title:
Thermodynamic properties of solid solutions from special quasirandom structures and CALPHAD modeling: Application to Al-Cu-Mg-Si and Hf-Si-O
Graduate Program:
Materials Science and Engineering
Keywords:
special quasirandom structures
thermodynamic modeling
first-principles calculations
solid solution phases
File:
Download DongwonShin.pdf
Committee Members:
Zi Kui Liu, Committee Chair/Co-Chair
Long Qing Chen, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Vincent Henry Crespi, Committee Member

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