José Escorcia-Gutierrez

Buckling of carbon nanotubes using molecular dynamics simulation: Investigating the effect of boron doping by considering the interaction energy

This study investigates the atomic-scale stability and buckling behavior of boron-doped carbon nanotubes (CNTs) using molecular dynamics simulations. After equilibration in the NVT ensemble, we applied compressive deformation to evaluate the mechanical response and structural evo...