Study On Collective Dynamics Simulation Of Dimer Nanomotors In Complex Environments

In organisms,molecular motors can hydrolyze ATP to release energy and drive the motor to perform mechanical movements such as translation and rotation.Drawing on these important functions of molecular motors,scientists have synthesized nanomotors with simple structures for directional transportation of drugs,water quality monitoring,environmental improvement and so on.In addition,in the past two decades,properties of active medium kinetics has led to extensive research in the field of statistical mechanics,chemistry and biology.In this paper,the mesoscopic simulation method is used to study the dynamical properties of interaction and dynamic mechanism of two types of self-propelled motors.In the first chapter,the research background,motion mechanism and application prospects of the self-propelled motor are briefly introduced.In the second chapter,numerical simulation method of molecular dynamics,which is the particle-based mesoscopic simulation method-multiparticle collision dynamics(MPC),is introduced.In the third chapter,we proposed a particle-based micro-dimer nano-motor model,and MD-RMPC method is used to study the dynamic properties of dimer pairs through numerical simulation and theoretical analysis.We have found that dimer motors can exhibit clustering phenomena such as aggregation and cluster formation.The dimer motor forms a stable mating structure like a doublet.From the numerical simulation and theoretical analysis,the results are consistent.In Chapter 4,we studied the placement of two dimer motors in a chemically active medium,and the reaction on the motor was coupled to the solution reaction.The solution reaction changes the non-equilibrium concentration gradient.Furthermore,by changing the intrinsic reaction rate constant to change the chemical activity of the medium,the motor pair was found to have rich and complex dynamic behavior,called rotating motor pair and brown motor pair.Besides,the underlying dynamics mechanism.Finally,a phase diagram of the dependence of the pairing state on the chemical activity of the solution is given.In conclusion,this paper help to deepen the understanding of the collective dynamic structure and phase behavior of self-propelled motors,and also provides a modeling platform both for the design of synthetic motors under various conditions and the kinetic study.In short,it has a guiding role in the experiment.