1. THERMODYNAMIC MODELING AND FIRST-PRINCIPLES CALCULATIONS OF THE CR-HF-Y TERNARY SYSTEM Open Access Author: Hasek, Bradley Title: THERMODYNAMIC MODELING AND FIRST-PRINCIPLES CALCULATIONS OF THE CR-HF-Y TERNARY SYSTEM Graduate Program: Materials Science and Engineering Keywords: CALPHADSQSCrHfY File: Download Brad_Hasek_MS_Thesis.pdf Committee Members: Dr Zi Kui Liu, Thesis Advisor/Co-AdvisorDr Zi Kui Liu, Thesis Advisor/Co-Advisor
2. Thermodynamic Modeling of the Reactive Sintering of Nd:YAG Open Access Author: Saal, James Edward Title: Thermodynamic Modeling of the Reactive Sintering of Nd:YAG Graduate Program: Materials Science and Engineering Keywords: CALPHADfirst-principlesphase equilibriaceramic processing File: Download James-Dissertation.pdf Committee Members: Zi Kui Liu, Thesis Advisor/Co-AdvisorZi Kui Liu, Thesis Advisor/Co-Advisor
3. FIRST-PRINCIPLES CALCULATIONS AND THERMODYNAMIC MODELING OF THE HF-RE BINARY SYSTEM WITH EXTENSION TO THE HF-NI-RE TERNARY SYSTEM 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: thermodynamicsNi-Hf-RehafniumrheniumHf-ReCALPHADfirst-principlesNi-based superalloysmodeling File: Download Ling_MS_final5.pdf Committee Members: Paul Raymond Howell, Thesis Advisor/Co-AdvisorZi Kui Liu, Thesis Advisor/Co-Advisor
4. Thermodynamic investigation of transition metal oxides via CALPHAD and first-principles methods Open Access Author: Zhang, Lei Title: Thermodynamic investigation of transition metal oxides via CALPHAD and first-principles methods Graduate Program: Materials Science and Engineering Keywords: CALPHADtransition metal oxidesphase stabilityfirst-principlesdefect File: Download Lei-MSThesis-v6.pdf Committee Members: Zi Kui Liu, Thesis Advisor/Co-Advisor
5. UPDATED SUBLATTICE MODELS OF TOPOLOGICALLY CLOSE PACKED PHASES WITH A REVISED PHASE DESCRIPTION OF σ PHASE 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: CALPHADFirst PrinciplesTopologically close packed phasesTCP phasesSigma phase File: Download Thesis-v9.pdf Committee Members: Zi-Kui Liu, Thesis Advisor/Co-AdvisorIsmaila Dabo, Committee MemberAllison Michelle Beese, Thesis Advisor/Co-AdvisorSusan B Sinnott, Program Head/Chair
