Computer Simulations of Carbon Nanostructures under Pressure

M. G. Fyta, P. C. Kelires
2005 Fullerenes, nanotubes, and carbon nanostructures  
Several interesting phenomena are observed when materials are put under pressure. The goal is to achieve modification and control over their mechanical and electronic (conduction) properties. Within this spirit, we have recently focused out attention into how carbon nanostructures respond to hydrostatic pressure. We performed Monte Carlo simulations with the Tersoff potential of various freestanding carbon nanostructures. These range from fullerenes, onions, and carbon spheres to nanotubes and
more » ... anodiamonds. Our simulations show that the nanostructures undergo some notable structural modifications.
doi:10.1081/fst-200039164 fatcat:lrrfux3vineyzgdnmdjuagd6au