Compressive buckling of carbon nanotubes containing polyethylene molecules

The instability of a carbon nanotube containing a polyethylene molecule subjected to compression is investigated using molecular dynamics. A decrease up to 35% in the buckling strain of the (6,6) and (10,10) carbon nanotube/polymer structures due to the attractive van der Waals interaction between the tube wall and the polymer molecule is reported. In particular, the decrease in the buckling strain of the (6,6) carbon nanotube/polymer structure is attributed to the initiation of two flattenings on the tube wall. Simulations show that the buckling strain of the structure is insensitive to the number of units of the polymer molecule.

Graphical abstractSnapshots of flattening induced in the (6,6) CNT/polymer structure by the PE molecule. (a) The first flattening with a distance of 1.15 nm from the left side induced at 2.6 ps; and (b) the second flattening 1.78 nm with a distance of 1.78 nm from the left side induced at 19.2 ps.Figure optionsDownload full-size imageDownload as PowerPoint slideResearch highlights► Buckling strain of a carbon nanotube/polymer structure is less than that of the empty tube. ► The decrease in the buckling strain is due to the attractive interaction between the carbon nanotube and the polymer molecule. ► Buckling strain of a carbon nanotube/polymer structure is insensitive to the number of units of the polymer molecule.