I³MS - Gupta Seminar

Prof. Dr. Shakti Gupta - Carbon nanostructures: Molecular Simulations, Continuum Models and Some Related Issues

Department of Mechanical Engineering, Indian Institute of Technology, India

Abstract

Continuum hypothesis based properties, for example, elastic modulli or
thermal conductivity of a material at small lengths scale can be derived
efficiently using molecular mechanics or dynamics. While doing so one
makes a few key assumptions and develops what are called as equivalent
continuum structures (ECSs). Accuracy of the derived quantity for a given
structure thus depends strongly on its ECS. In this talk we will first
present development of ECSs for single-walled carbon nanotubes (SWCNTs)
and graphene based on the theory of linear vibrations and show instances
when these ECSs may fail or behave counterintuitively. Subsequently,
results from two methods leading to conflicting values of critical
buckling strain in SWCNTs under compression will be presented. Lastly, we
will present some very recent results on instabilities in carbon nanocone
stacks motivating to development of continuum models.