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1. THERMODYNAMIC PROPERTIES OF MG BASED ALLOYS BY CALPHAD APPROACH COUPLED WITH FIRST-PRINCIPLES: APPLICATION TO MG-AL-CA-CE-SI SYSTEM

open_access
Open Access
Author:
Zhang, Hui
Title:
THERMODYNAMIC PROPERTIES OF MG BASED ALLOYS BY CALPHAD APPROACH COUPLED WITH FIRST-PRINCIPLES: APPLICATION TO MG-AL-CA-CE-SI SYSTEM
Graduate Program:
Materials Science and Engineering
Keywords:
Mg alloys
Intermetallics
First-principles
Calculation of phase diagram
File:
Download Hui_thesis.pdf
Committee Members:
Dr Zi Kui Liu And Dr Long Qing Chen, Dissertation Advisor/Co-Advisor
Zi Kui Liu, Committee Chair/Co-Chair
Long Qing Chen, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Digby D Macdonald, Committee Member

2. Investigation of Atomic Environments by Computational Thermodynamics: Applications in Intermetallic Catalysts and Molten Salts

open_access
Open Access
Author:
Gong, Rushi
Title:
Investigation of Atomic Environments by Computational Thermodynamics: Applications in Intermetallic Catalysts and Molten Salts
Graduate Program:
Materials Science and Engineering
Keywords:
CALPHAD
Thermodynamics
First-principles calculations
Catalysts
Intermetallics
Molten salts
Short-range ordering
Software
File:
Download Gong_Dissertation_Final.pdf
Committee Members:
John Mauro, Program Head/Chair
Zi-Kui Liu, Chair & Dissertation Advisor
Hojong Kim, Major Field Member
Michael Janik, Outside Unit & Field Member
John Mauro, Major Field Member