“…Fortunately, molecular dynamics simulation [ 14 , 15 ], which is based on the statistical physics and Newton’s laws of motion, is a powerful tool for the design and performance prediction of a nanodevice whose size is less than 10 nm. The numerical experiments have been widely applied in the design of nanostructures [ 16 ] or devices such as rotary nanomotors [ 17 , 18 , 19 , 20 , 21 , 22 ] and nano-strain sensors [ 23 , 24 , 25 ]. On the other hand, multi-walled carbon nanotubes (MWNTs) are usually adopted in the design of nanomotors due to the extremely low coefficient of intertubular friction and high strength of the nanotube.…”