The chemically powered nanomotor can perform various tasks and diverseapplications, such as, delivering drugs to cancer cells, nanoscale cargo transport andso on. But on demand control of the movement of nanomotor, which includes controlof nanomotor direction as well as control of motor speed, are essential for fulfillingthese applications. However, the precise navigation of nanoscale subjects isextremely challenging because of combination of Brownian motion and lowReynolds numbers. Therefore, it is essential to study the control method of thenanomotor direction and speed. Up to now, there’s nearly no study on nanomotormotion control in China. As for the study on the nanomotor motion control abroad,most of them are done experimentally. Only a few of them are done numerically. Inthis work, the study is carried out by simulation based on molecular dynamics, andthe effect of nanomotor structure, system temperature and solvent concentration onthe nanomotor speed is studied. One of the two tasks of the nanomotor control iscompleted by this work. This work can provide theoretical foundation for the studyof nanomotor application.The study of this work is based on two models of the nanomotor——nanodimermodel and nanowire model. The flow diagram of the model is established.Algorithms of the flow diagram are established.Force analysis of the nanodimer model is carried out based on moleculardynamics. Kinetics analysis of the nanodimer is carried out based on Rattle algorithm.Based on the kinetics analysis, the effect of system temperature and solventconcentration on the nanodimer model speed is obtained by simulation analysis.Finally, by comparing the simulation results with the experimental results, thevalidity of the simulation results is proved.Based on molecular dynamics and rigid body dynamics in space, the motionmodel of the nanowire is built for the first time. Kinetics analysis is carried out.Therefore, kinetics analysis of the nanowire is carried out based on rigid bodydynamics in space. Based on the kinetics analysis, the effect of nanomotor structure,system temperature and solvent concentration on the nanowire model speed isobtained by simulation analysis. Finally, by comparing the simulation results with theexperimental results, the validity of the simulation results is proved. |