The effects of intertube additional atoms on （DWCNTs） are investigated using molecular dynamics （MD） the sliding behaviors of double-walled carbon nanotubes simulation method. The interaction between carbon atoms ...The effects of intertube additional atoms on （DWCNTs） are investigated using molecular dynamics （MD） the sliding behaviors of double-walled carbon nanotubes simulation method. The interaction between carbon atoms is modeled using the second-generation reactive empirical bond-order potential coupled with the Lennard-Jones potential. The simulations indicate that intertube additional atoms of DWCNT can significantly enhance the load transfer between neighboring tubes of DWCNT. The improvement in load transfer is guaranteed by the addition of intertube atoms which are covalently bonded to the inner and outer tubes of DWCNT. The results also show that the sliding behaviors of DWCNT are strongly dependent of additional atom numbers. The results presented here demonstrate that the superior mechanical properties of DWCNT can be realized by controlling intertube coupling. The general conclusions derived from this work may be of importance in devising high-performance CNT composites.展开更多
基金Supported by the National Natural Science Foundation of China under Grant No.10902083the Program for New Scientific and Technological Star of Shaanxi Province under Grant No.2012KJXX-39
文摘The effects of intertube additional atoms on （DWCNTs） are investigated using molecular dynamics （MD） the sliding behaviors of double-walled carbon nanotubes simulation method. The interaction between carbon atoms is modeled using the second-generation reactive empirical bond-order potential coupled with the Lennard-Jones potential. The simulations indicate that intertube additional atoms of DWCNT can significantly enhance the load transfer between neighboring tubes of DWCNT. The improvement in load transfer is guaranteed by the addition of intertube atoms which are covalently bonded to the inner and outer tubes of DWCNT. The results also show that the sliding behaviors of DWCNT are strongly dependent of additional atom numbers. The results presented here demonstrate that the superior mechanical properties of DWCNT can be realized by controlling intertube coupling. The general conclusions derived from this work may be of importance in devising high-performance CNT composites.
