Dissertations and Theses

Dissertations and Theses

  • Simon Phillpot, Adiabatic Nonlinear Dynamics in Models of Quasi-one-dimensional Conjugated Polymers, University of Florida, May 1985. 1985_Phillpot_dissertation

Phillpot Group Doctoral Dissertations

  • Taku Watanabe, Thermal Transport in Uranium Dioxide and Diamond by Atomic Level Simulations, May 2008. (2008_Watanabe_ Dissertation)
  • Dilpuneet Singh Aidhy, Evolution of Intrinsic Point Defects in Fluorite-based Materials: Insights from Simulation, May 2009. (2009_Aidhy_Dissertation)
  • Peter R. Barry, Elucidation of Atomic Scale Mechanisms for Polytetrafluoroethylene Tribology using Molecular Dynamics Simulation, December 2009. (2009_Barry_Dissertation)
  • Rakesh K. Behera, Effects of Surfaces, Domain Walls and Grain Boundaries on Ferroelectricity in Lead Titanate using Atomic Scale Simulations, December 2009. (2009_Behera_Dissertation)
  • Haixuan ‘Stephen’ Xu, From Electronic Structure of Point Defects to Physical Properties of Complex Materials Using Atomic-Level Simulations, May 2010. (2010_Xu_Dissertation)
  • Donghwa Lee, Structure and Dynamics of Interfaces in Organic and Inorganic Materials using Atomic Level Simulation, August 2010. (2010_Lee_Dissertation)
  • Priyank Shukla, Thermal Transport in Selected Ceramic Materials for Potential Application as Inert Matrix Fuel or Thermal Barrier Coating using Atomic Level Simulation, August 2010.  (2010_Shukla_Dissertation)
  • Jasmine Davenport Crenshaw, Computational Investigations of Organic Materials for Hybrid Nanodevice and Optoelectronic Applications, May 2011. (2011_Crenshaw_Dissertation)
  • Dong-Hyun Kim, Computational Studies of Deformation in HCP Metals and Defects in a Lead-Free Ferroelectric Ceramic, August 2011. (2011_Kim_Dissertation)
  • Tsu-Wu Chiang, Computation Studies of Vacancy and Void Defect Interactions in Polycrystalline UO2, August 2014. (2014_Chiang_Dissertation)
  • Bowen Deng, Thermal Transport at Dislocations and Interfaces by Atomistic Simulation, August 2014. (2014_Deng_Dissertation)
  • Yangzhong Li, Molecular Dynamics Simulation of Defected Structures by COMB and EAM Potentials, August 2014. (2014_Li_Dissertation)
  • Mark J. Noordhoek, Development of Classical Interatomic Potentials for Applications in Corrosion and Phase Transitions, August 2014. (2014_Noordhoek_Dissertation)
  • Anuj Goyal, Multiscale Computational Modeling of Defects in Uranium Dioxide, August 2015. (2015_Goyal_Dissertation)
  • Zizhe Lu, Mechanical Properties of Zirconium and Zirconia Systems by Molecular Dynamics Simulation, December 2015. (2015_Lu_Dissertation)
  • Jackelyn Martinez, Methodologies and Tools for the Development of Empirical Potentials with Application for Nitrogen Containing Compounds, May 2016. (2016_Martinez_Dissertation)
  • Brian Demaske, Transport and Phase Transitions in Ceramics and Amorphous Metals by Atomic-Level Simulation, December 2017 (2017_Demaske_Dissertation)
  • Eugene J. Ragasa, Machine Learning Techniques for the Rational Design of Analytic Interatomic Potentials, August 2019 (2019_Ragasa_Dissertation)
  • David L. Brown, Phase Properties of Semiconductor and Transition Metal Materials from Experimental and Computational Principles, December 2019 (2019_Brown_Dissertation)
  • Shubham Pandey, Evolution of Alloys and Radionuclide Sequestration by First Principles Calculations, May 2020 (2020_Pandey_Dissertation)
  • Michele L. Fullarton, Thermodynamics and Charged Defects in Nuclear Alloys and Semiconductor Materials from First Principles Calculations, August 2020 (2020_Fullarton_Dissertation)

Phillpot Group Masters Theses

  • Kun-Ta Tsai, Diffusion-controlled Kinetic Evolution of Radiation-induced Point Defects in Polycrystalline UO2 from Atomic-level Simulation, August 2010 2010_Tsai_MSThesis