Analysis Of The Mechanical Properties Of Znt Using Molecular Mechanics And Fem

Zirconium dioxide nanotubes(ZNT)has become one of the very popular material in the field of nanometer material with its unique physical and chemical properties.While,lacking of guide in theoretical result from mostly experimental research and few times theoretical study and numerical simulation.This paper had research the ZNT’s vibration mode in molecular structure mechanics.Derive the basic mechanical parameters of Zr-O bond in theoretical,then ZNT has been numerical simulation based of ANSYS.Zr-O bond has been equivalent into Timoshenko beam.Calculated the length,diameter and modulus of elasticity in theoretical.Then ZNT’s entity modeling is realized in ANSYS.The difficult problem in the whole research process is how to determine the Poisson ratio of equivalent beam.After a lot of work,ZNT’s elastic modulus and poisson’s ratio have a high linear correlation between the poisson’s ratio of equivalent beam,and the correlation coefficients above 0.998 is discovered.In order to solve the contradiction between the zirconium oxygen bonds poisson’s ratio without actual physical meaning and the poisson’s ratio of equivalent beam must be used with ANSYS numerical simulation,the creatively method linear fitting is presented.After numerical times of calculation the poisson’s ratio of equivalent beam is confirmed in 1.768,which is satisfyed the experimental value and convergence requirement.ZNT’s elastic modulus,poisson’s ratio and the first order natural frequency is analyzed by use of the finite element software ANSYS based on the work above.Respectively studied how the length,diameter,chiral to influence of the elastic modulus and poisson’s ratio of ZNT,and analyzes the reason between two sides.ZNT’s low-order vibration modal analyzed by an example with chiral in(12,12),length in 11.6395 nm.Discusses the fist-order natural frequency in different length,diameter,chirality and constaint.