info:eu-repo/semantics/article
On the structural and mechanical properties of Fe-filled carbon nanotubes-a computer simulation approach
Fecha
2009-04Registro en:
Soldano, Germán; Mariscal, Marcelo; On the structural and mechanical properties of Fe-filled carbon nanotubes-a computer simulation approach; IOP Publishing; Nanotechnology; 20; 16; 4-2009; 165705-165712
0957-4484
1361-6528
CONICET Digital
CONICET
Autor
Soldano, Germán
Mariscal, Marcelo
Resumen
The structural and mechanical properties of single-and multi-walled carbon nanotubes filled with iron nanowires are studied using a recent parameterization of the modified embedded atom model. We have analyzed the effect of different crystal structures of iron (bcc and fcc) inside carbon nanotubes of different topographies. We have computed strain energy versus strain curves for pure systems: Fe nanowires, carbon and Fe-filled carbon nanotubes. A noticeable difference is found when these monatomic systems are joined to form iron-capped nanowires and where multi-layers of graphite are added to the nanotubes.