【摘要】 采用Brenner势的分子动力学方法,模拟了47°、69°及93°锥度碳纳米锥与刚体平面压缩、分离的全过程;获得了三种碳纳米锥与刚体平面作用过程中的构形演变、能量-变形曲线以及力-变形曲线;根据模拟结果,分析了它们承载能力以及变形能力的差异.研究表明,47°纳米锥压缩后,锥尖倒向一边,而69°及93°纳米锥锥尖内陷;47°及69°碳纳米锥产生永久变形时的最小压缩量分别为15%和19%左右,而93°碳纳米锥大于38.9%;三种碳纳米锥的最大承受载荷均为29nN左右.更多还原

【Abstract】 The Brenner potential based MD (molecular dynamics) simulations are performed to study the compression and detaching between the 47°, 69° and 93° carbon nano-cones and one rigid plane, and the configuration, energy and external-loading evolvement during the compression and detaching are obtained. According to the calculated results, the three nanocones’ compressive properties are compared. The results show that the tip of the compressed 47° cone will fall aside, whereas the ones of the 47° and 69° cones cave in, that the 93° nancone has much higher deformation supporting-capability than the 47° and 69° ones, and that all the three nanocones have the maximal load supporting-capability of 29 nN.更多还原