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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

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

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

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