One-dimensional Chain Of Thermal Conductivity And Carbon Nanotubes Nature Of The Simulation

In this paper, we simulate the heat conduct of a few one-dimensional chains and some property of carbon nanotubes by the computer simulation method. In the first part, we put forward a new model about gas molecule interacting through elastic collisions. And we investigate the influence of mass distribution on the temperature distribution, the influence of the length of chain on the heat conduction and the influence of the mass ratio on the thermal conductivity by using the statistic average method, taking heat effct and second law of thermodynamics into account. In the second part, the collisions of carbon nanotubes with graphitic patches have been numerically simulated by molecular dynamics method with tight-binding potential and Tersoff potential. It is found that a double-walled carbon nanotube obtained first, and then a three-walled carbon nanotube obtained. We consider it may be a kind of multiwalled carbon nanotubes growth mechanism. In the third part, the C28-nanotube oscillator has been simulated by tight-binding molecular dynamics (TBMD) method. The oscillatory amplitude decreases while the oscillating frequency increases with time. The oscillators are dynamically stable only when the distance between the nanotube and C28 is a little less than 0.34nm. The outer nanotube length can be used to tune the oscillation frequency of the C28-nanotube oscillator. The oscillation frequency of the C28-nanotube oscillator is higher than that of double-walled oscillator and C60-nanotube oscillator.