Simulations On Electrons Scattering Of Aeronautic Metal Materials And Mechanical Properties Of CNT

The thesis contains two parts, i.e., Part 1: Monte Carlo simulations on electrons scattering in aeronautic metal materials and Part 2: MD(molecular dynamics) simulations of the mechanical properties of CNT(Carbon Nanotube) and carbon nano-peapods.Part1: Monte Carlo simulations on electrons scattering in aeronautic metal materialsAl,Ti, and Mg alloys have many excellent properties, such as high strength, light weight and anti-corrosion, and are widely used in engineering structures of aeronautics & astronautics. Due to radiant belt, energy particles of sun and cosmic rays of galaxy, there are abundant electriferous particles in astrospace, whose energy is from hundreds to thousands eV. Electriferous particles can make radiate damage to alloy-plies of exterior space aircraft,instrument and persons inside the space aircraft. So it is necessary to research the influence to aeronautics & astronautics metal-materials by simulating middle/high-energy electrons of astrospace scattering in materials. Monte Carlo simulations were performed in the article to investigate the energy and space distributions of middle/high-energy electrons scattering in the Al,Ti,Mg,Fe solids, and the depth and surface distributions of backscattering electrons (BSEs) and absorbed elections (AEs),the distribution of energy loss, as well as the energy aggradation in the metals were analyzed. At last we got a serial of very valuable results about middle-energy electrons scattering in the Al, Ti, Mg, Fe solids.Part2: MD simulations on the mechanical properties of CNT and Carbon Nano-peapodsCarbon nanotubes (CNT) have excellent mechanical properties, such as good intensity and flexility and the elastic property can reach the level of TPa. So the research on the mechanical properties of CNT has been being a hotspot in the area of nano mechanics. Since the experiment is difficult, molecular simulation appears especially important to research the mechanical behaviors. Based on it, Molecular dynamics method is used to simulate the mechanical behavior in the article. Firstly, we compile a creater of CNT in C language. Secondly, the diametral compressive properties of one double-walled nanotube were investigated, and we found the diametral compressive properties of the double-walled nanotube are better than the single-walled nanotube. Thirdly, the collision and energy transfer between C60 fullerenes in carbon nano-peapods, filled with different number of Ne molecules, were simulated. We analyzed the energy transfer between Ne molecules and C60 fullerene, and found that filled-Ne molecules reduce the energy transfer rate of the carbon peapods.