【摘要】 基于Tersoff势的分子动力学方法模拟(5,5)型单壁碳、硅及氮化硼纳米管的轴向拉伸过程。根据模拟结果,讨论三种纳米管拉伸时的构形、能量、载荷、径向收缩率等的变化及其差异。研究结果表明,(1)小应变时,系统能量随变形增大而增大,各纳米管截面构形基本保持圆形不变。(2)碳、硅及氮化硼纳米管的断裂应变值分别为42.8%、33.4%和49.1%。(3)碳纳米管的能量吸收能力最好,承载最大,径向收缩率最小。更多还原

【Abstract】 The axial tension of the(5,5) single-walled C,Si and BN nanotubes was simulated by the MD(molecular dynamics) method based on the Tersoff potential.According to the simulated results,the changes and differences of the geometrical configurations,energy,external loading and radial shrinkage-ratio for the three nanotubes under tension were compared and discussed.The results show that(1) under small strain,system energy increases with the increase of strain,and the three nanotubes still have round sections;(2) the fracture strain of the C,Si,BN nanotubes is 42.8%,33.4% and 49.1% respectively;(3) the C nanotube has the highest energy-absorbing capability,load-support capability but the least radial shrinkage-ratio.更多还原