Tribological Properties And Thermal Transport Regulation Of Sp~3 Hybrid Carbon Nanotubes

With the rapid development of nanotechnology,carbon nanotubes have shown many excellent properties and attracted wide attention.Carbon nanotubes,as one-dimensional materials,have good mechanical properties,heat transport properties,electromagnetic properties and adsorption properties,so they are the preferred materials for nanodevices.In this paper,the frictional and heat transport properties of local sp~3 hybrid carbon nanotubes and their potential applications in regulating the motion of nanomotors are studied by molecular dynamics.By simulating the movement of carbon nanotubes in local carbon nanotubes hybridized with sp~3,the surface friction properties of carbon nanotubes hybridized with sp~3 were studied,and the influence of the number and distribution of sp~3 hybridized chains on the friction force of internal carbon nanotubes was studied.It is found that the change of cross section shape of carbon nanotubes with sp~3 hybridization affects the contact area and contact mode of the inner surface of carbon nanotubes with sp~3 hybridization,and affects the movement of the inner carbon nanotubes.The heat transport performance of local sp~3 hybrid carbon nanotubes was studied,and the influence of the number and distribution of sp~3 hybrid chains on the thermal conductivity of carbon nanotubes was studied.In general,the higher the number of sp~3 hybrid chains,the lower the thermal conductivity of carbon nanotubes.For the same number of sp~3 hybridized chains,the larger the distribution Angle,the smaller the thermal conductivity of carbon nanotubes.Therefore,a method to regulate the thermal conductivity of carbon nanotubes with local sp~3 hybridized chains is proposed.The motion of nanomotor in a carbon nanotube with temperature gradient and local sp~3hybridization is simulated and studied.Due to the existence of temperature gradient,the thermal swimming force pushes the nanomotor to move from the high temperature region to the low temperature region,and the local sp~3 hybridization region of carbon nanotube affects the motion of the nanomotor.In addition to the size of the nanomotor,the temperature gradient of the carbon nanotubes,the number of sp~3 hybridization chains and the position in the carbon nanotubes are also related to the nanomotor movement.The research results of this paper provide a theoretical basis for the design of nanodevices based on carbon nanotubes,and have a guiding role in controlling the motion and positioning of nanomotors in carbon nanotubes.