【摘 要】
：
使用分子动力学方法模拟了单壁碳纳米管的拉伸变形行为和泊松比,并从单壁碳纳米管晶胞单元的结构特征角度,系统分析了管径、螺旋性和应变对力学性能的影响.模拟结果显示,单臂
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使用分子动力学方法模拟了单壁碳纳米管的拉伸变形行为和泊松比,并从单壁碳纳米管晶胞单元的结构特征角度,系统分析了管径、螺旋性和应变对力学性能的影响.模拟结果显示,单臂性碳纳米管(8,8)-(22,22)和锯齿性碳纳米管(9,0)-(29,0)的拉伸弹性变形可以分别达到35%-38%和20%-27%,拉伸条件下这些碳纳米管的弹性模量随管径的增大从960 GPa下降到750 GPa,并且锯齿性碳纳米管的弹性模量比单臂性碳纳米管的弹性模量要高.通过对三根具有相同直径和不同螺旋性的碳纳米管(9,9),(12,6)和(16,0)分别在拉伸和压缩条件下的模拟发现,随着变形的增大,碳纳米管的泊松比将减小;在相同的拉伸应变下,碳纳米管的泊松比随其螺旋角的减小而减小,而在相同的压缩应变下,碳纳米管的泊松比随其螺旋角的减小而增大.
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