摘要
使用分子动力学和 Tersoff-brenner 多体势,模拟计算单壁碳纳米管的杨氏模量。所计算的单壁碳纳米管的杨氏模量的平均值为704.5 GPa,计算结果与实验值吻合。
Based on molecular dynamics(MD)simulations and Tersoff-Brenner many-body potential function,the Young’s modulus of carbon nanotubes are studied.The computational results show that the average values of Young’s modulus of single walled carbon nanotubes(SWCNTs)is 704.5 GPa.The numeric results are in good agreement with the existing experimental results.
