Structural Properties Of Carbon Nano-ring

The mechanical properties and applications of the nanomaterials are the forefront topics of today’s condensed matter physics.Due to its unique mechanical, optical, and electrical properties of nano-ring naturally attracted much attention, and in order to understand the physical mechanisms of nano-system and explore the practical application,it is important to study different aspects of nano-ring. Carbon nano-rings were found in the experiment of product the nanotube material, this unique structure has been attracted a large number of researchers to study all aspects of its properties,including electrical, mechanical and abnormal ferromagnetic phenomena.This article focuses on mechanical properties of carbon nano-ring,used the method of molecular dynamics and the theory of elasticity separately to study the structural properties of the carbon nano-ring.Then chose the COMPASS as force field in the dynamics simulation of nanocarbon ring,the result demonstrated that when set up the ring-shaped mandrel length at12.99nm,it will appear regular ripple shape in the inner side of the nano-ring.The transport from the defect-free shape to the regular ripple shape correspond to the critical instability system. At this situation in order to maintain the stability of the system it will spontaneous transform from the high symmetry C∞to the relatively stable one CN.A new kind of finite structural displacement expansion method:Chebyshev-Ritz method is used here to study the vibration characteristics of carbon nano-ring structure. The idea of the Chebyshev-Ritz method are used the Chebyshev polynomials and the corresponding boundary characteristic function to construct the trial function,it will make the results accurate, stable and convergence fast.The annular length of the mandrel corresponds to the molecular dynamics calculations12.99nm to be used in calculating the average atomic potential energy.The same results were obtain both in the Chebyshev-Ritz method and the molecular dynamics,the stable structure correspond to the rippling number of14.Compare some the other length of mandrel length, using the two different kind of methods to calculate respectively,then some similarities were obtained when compared the results of calculation.