Inside power and temperature of a carbon nanotube: Fullerenes, Nanotubes and Carbon Nanostructures: Vol 0, No 0

Summary

Modelling the hydrogen combustion response confined in carbon nanotubes (CNTs) implies the efficient management of the preliminary circumstances of place and velocities of the gasoline and of the nanocontainer, in order to breed the stress and temperature of the system. On this work, the preliminary circumstances of the gasoline particles have been randomly generated in accordance with the Maxwell-Boltzmann distributions at a given temperature. As for the CNT construction, we comply with a process which relates the interior power of the CNT to its temperature, which allowed us to outline the kinetic power to distribute as a way to receive a CNT on the identical temperature because the reactive combination. Outcomes point out that we are able to find the carbon atoms at their equilibrium geometries and use $3N{\mathrm{ok}}_{\mathrm{B}}T$ for his or her common kinetic power.