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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

Open Access

Author:: Mantina, Manjeera
Title:: A FIRST-PRINCIPLES METHODOLOGY FOR DIFFUSION COEFFICIENTS IN METALS AND DILUTE ALLOYS
Graduate Program:: Materials Science and Engineering
Keywords:: First-principles
tracer diffusion coefficients
metals
dilute alloys
fcc
bcc
hcp
self-diffusion
impurity diffusion
File:: Download Manjeera-Dissertation.pdf
Committee Members:: Zi Kui Liu, Committee Chair/Co-Chair
Long Qing Chen, Committee Chair/Co-Chair
Suzanne E Mohney, Committee Member
Jorge Osvaldo Sofo, Committee Member

Open Access

Author:: Ganeshan, Swetha
Title:: A first-principles study of elastic and diffusion properties of Magnesium based alloys
Graduate Program:: Materials Science and Engineering
Keywords:: diffusion coefficients
First-principles
elastic properties
Magnesium
File:: Download Ganeshan_Thesis.pdf
Committee Members:: Dr Zi Kui Liu, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Digby D Macdonald, Committee Member
Long Qing Chen, Committee Member

Open Access

Author:: Mei, Zhigang
Title:: First-principles Thermodynamics of Phase Transition: from Metal to Oxide
Graduate Program:: Materials Science and Engineering
Keywords:: First-principles
thermodynamics
phase transitions
Ti
TiO2
BiFeO3
File:: Download ZhigangMei_Dissertation.pdf
Committee Members:: Zi Kui Liu, Dissertation Advisor/Co-Advisor
Long Qing Chen, Committee Member
Vincent Henry Crespi, Committee Member
Clive A Randall, Committee Member

Open Access

Author:: Keilbart, Nathan Daniel
Title:: Understanding the pseudocapacitive response of transition metal oxide and carbide electrodes
Graduate Program:: Materials Science and Engineering
Keywords:: Pseudocapacitor
DFT
Monte Carlo
First-principles
Energy Storage
File:: Download NathanKeilbart-Dissertation.pdf
Committee Members:: Ismaila Dabo, Dissertation Advisor/Co-Advisor
Clive A Randall, Committee Chair/Co-Chair
Susan B Sinnott, Committee Member
Ramakrishnan Rajagopalan, Committee Member
Kwadwo Asare Osseo-Asare, Outside Member

Open Access

Author:: Chen, Weinan
Title:: Heat Transport in Semiconducting Metalattices
Graduate Program:: Materials Science and Engineering
Keywords:: Heat transport
Computational Materials Science
First-principles
Phononics
File:: Download submit_version_thesis.pdf
Committee Members:: Ismaila Dabo, Dissertation Advisor/Co-Advisor
Ismaila Dabo, Committee Chair/Co-Chair
Susan B Sinnott, Committee Member
Vincent Henry Crespi, Committee Member
Brian Foley, Outside Member
John C Mauro, Program Head/Chair

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