Dynamic Simulation of Energy Dissipation in Carbon Nanotubes

On a macroscopic level, distinguishing between mechanical and thermal forms of energy is a relatively simple task – the science of thermodynamics is based on the clear distinction between work and heat. When making observations on the molecular scale, however, these definitions become less clearcut. Both forms of energy are the result of the motion of individual atoms and can be expressed as the total kinetic energy of a collection of molecules. The goal of this work is to model the flow of energy from mechanical oscillations into thermal vibrations in carbon nanotubes without tracking the trajectory of every atom in the system.