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Start Over Graduate Program Materials Science and Engineering Committee Member Zi-Kui Liu Keyword CALPHAD

1. 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

2. Thermodynamic Modeling of Phase Transformations and Defects: from Cobalt to Doped Cobaltate Perovskites

open_access
Open Access
Author:
Saal, James Edward
Title:
Thermodynamic Modeling of Phase Transformations and Defects: from Cobalt to Doped Cobaltate Perovskites
Graduate Program:
Materials Science and Engineering
Keywords:
ceramics
thermodynamic modeling
defect chemistry
perovskites
CALPHAD
density functional theory
File:
Download Saal-Dissertation.pdf
Committee Members:
Zi-Kui Liu, Committee Chair/Co-Chair
Long-Qing Chen, Committee Member
Clive Randall, Committee Member
Jorge Sofo, Committee Member
Michael Carolan, Committee Member

3. 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

4. Study of phase equilibria and defect chemistry of the Cu-Zn-Sn-S system from first-principles and computational thermodynamics towards photovoltaic applications

open_access
Open Access
Author:
Guan, Pinwen
Title:
Study of phase equilibria and defect chemistry of the Cu-Zn-Sn-S system from first-principles and computational thermodynamics towards photovoltaic applications
Graduate Program:
Materials Science and Engineering
Keywords:
Thermodynamics
DFT
CALPHAD
Solar materials
Defect
Semiconductors
File:
Download Pinwen-Thesis-final.pdf
Committee Members:
Zi-Kui Liu, Dissertation Advisor/Co-Advisor
Zi-Kui Liu, Committee Chair/Co-Chair
Roman Engel-Herbert, Committee Member
Ismaila Dabo, Committee Member
John B. Asbury, Outside Member
Vincent Crespi, Committee Member

5. UPDATED SUBLATTICE MODELS OF TOPOLOGICALLY CLOSE PACKED PHASES WITH A REVISED PHASE DESCRIPTION OF σ PHASE

open_access
Open Access
Author:
Feurer, Matthew
Title:
UPDATED SUBLATTICE MODELS OF TOPOLOGICALLY CLOSE PACKED PHASES WITH A REVISED PHASE DESCRIPTION OF σ PHASE
Graduate Program:
Materials Science and Engineering
Keywords:
CALPHAD
First Principles
Topologically close packed phases
TCP phases
Sigma phase
File:
Download Thesis-v9.pdf
Committee Members:
Zi-Kui Liu, Thesis Advisor/Co-Advisor
Ismaila Dabo, Committee Member
Allison Michelle Beese, Thesis Advisor/Co-Advisor
Susan B Sinnott, Program Head/Chair