Calculation of mechanical, thermal, dielectric, and optical properties of nanotubes using phenomenological, tight-binding, and ab-initio approaches

Project: Research

Project Details

Description

The main objectives are theoretical and computational studies of the mechanical, thermal, dielectric and optical properties of nanotubes, especially, elastic moduli, specific heat, resonant Raman scattering, light absorption and reflection. The study will include various nanotube systems, isolated and bundled, single-walled and multi-walled nanotubes, with different elemental composition carbon, boron, nitrogen, etc. The theoretical analysis will reveal the peculiarities of the physical properties due to the tube geometry. The computational results will be used for the assignment of experimental Raman and optical data and for the needs of industrial applications.
AcronymNANOPROCOMP
StatusFinished
Effective start/end date1/09/0431/08/05

Keywords

  • phonons
  • nanotube
  • dielectric function
  • electronic structures
  • specific heat