Now showing items 1-5 of 5

    • Dynamical properties of nanocarbon 

      Daniels, Colin Robert (Rensselaer Polytechnic Institute, Troy, NY, 2019-12)
      In this thesis, we give insight into this problem in two ways. In the first half, we investigate the mechanisms behind two processes that can be used for the engineering of graphene-based devices using a Monte-Carlo approach ...
    • Exploiting microstructure and symmetry in new ferroelectric materials 

      Florio, Fred (Rensselaer Polytechnic Institute, Troy, NY, 2020-12)
      Ferroelectric materials exhibit naturally occurring electronic polarization states, inspiring a wide array of potential use and function in technology. Charge separation from internal fields and the bulk photovoltaic effect ...
    • First-principles studies of defect dynamics in crystalline solids 

      Yoshimura, Anthony (Rensselaer Polytechnic Institute, Troy, NY, 2020-05)
      To this end, two classes of defect dynamics are considered. The first is passive dynamics, in which the evolution of defects is probabilistic, and its rate is dictated only by the environmental conditions in which the ...
    • Large-scale atomistic computations of the phonons in twisted bilayer graphene 

      Lamparski, Michael (Rensselaer Polytechnic Institute, Troy, NY, 2020-08)
      To help explore new combinations of techniques not available in existing software, a new code is written specialized to meet the unique demands of this problem. Details of the implementation are discussed in depth, ...
    • Vibrational properties of long linear carbon chains and hyperbolic graphene 

      Siegel, Ross (Rensselaer Polytechnic Institute, Troy, NY, 2020-05)
      Carbon nanostructures exhibit important physical, chemical, and mechanical properties, however, not all of these have been fully explored. In this thesis I focus on two carbon morphologies, linear carbon chains and hyperbolic ...