TY - JOUR
T1 - Compression of Carbon Nanotubes Filled with [Formula presented], [Formula presented], or Ne
T2 - Predictions from Molecular Dynamics Simulations
AU - Ni, Boris
AU - Sinnott, Susan B.
AU - Mikulski, Paul T.
AU - Harrison, Judith A.
PY - 2002
Y1 - 2002
N2 - The effect of filling nanotubes with [Formula presented], [Formula presented], or Ne on the mechanical properties of the nanotubes is examined. The approach is classical molecular dynamics using the reactive empirical bond order (REBO) and the adaptive intermolecular REBO potentials. The simulations predict that the buckling force of filled nanotubes can be larger than that of empty nanotubes, and the magnitude of the increase depends on the density of the filling material. In addition, these simulations demonstrate that the buckling force of empty nanotubes depends on temperature. Filling the nanotube disrupts this temperature effect so that it is no longer present in some cases.
AB - The effect of filling nanotubes with [Formula presented], [Formula presented], or Ne on the mechanical properties of the nanotubes is examined. The approach is classical molecular dynamics using the reactive empirical bond order (REBO) and the adaptive intermolecular REBO potentials. The simulations predict that the buckling force of filled nanotubes can be larger than that of empty nanotubes, and the magnitude of the increase depends on the density of the filling material. In addition, these simulations demonstrate that the buckling force of empty nanotubes depends on temperature. Filling the nanotube disrupts this temperature effect so that it is no longer present in some cases.
UR - http://www.scopus.com/inward/record.url?scp=85038291585&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85038291585&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.88.205505
DO - 10.1103/PhysRevLett.88.205505
M3 - Article
AN - SCOPUS:85038291585
SN - 0031-9007
VL - 88
SP - 4
JO - Physical review letters
JF - Physical review letters
IS - 20
M1 - 205505
ER -