单壁碳纳米管与铜材料的界面强度:分子动力学模拟

Ibrahim E Awad, L. Ladani
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引用次数: 18

摘要

由于其良好的机械和电气性能,碳纳米管(CNTs)在许多纳米/微电子应用中具有应用潜力,例如通过硅过孔(tsv)、互连、晶体管等。特别是,本研究提出了在铜(Cu)环形圆柱体内使用碳纳米管束作为TSV。为了评价碳纳米管-Cu复合材料的力学完整性,对碳纳米管-Cu界面进行了分子动力学模拟。研究了单壁碳纳米管(SWCNTs)在Cu板界面上的不同排列方式。当Cu在空间上固定时,拉出力已应用于swcnts。该研究在多个碳纳米管链与Cu板界面的几个不同情况下重复进行。结果表明,抽拔位移曲线具有相似的特征。在拉出力达到最大值后,绕平均力振荡,振幅递减,直至完全拉出。拉出力和碳纳米管链数之间的线性关系被观察到。当在Cu界面上研究多层CNTs时,发现二阶相互作用效应可以忽略不计。发现C-Cu - vdW相互作用比C-C - vdW相互作用强得多。埋置长度对平均拔出力无显著影响。然而,振荡幅度随着CNTs长度的增加而增加。正如所料,当碳纳米管链的一端固定时,由于其特殊的强度,需要很大的力才能将其拉出。最后,提出了一种分析关系来确定铜和碳纳米管束之间的界面抗剪强度。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Interfacial Strength Between Single Wall Carbon Nanotubes and Copper Material: Molecular Dynamics Simulation
Due to their promising mechanical and electrical properties, carbon nanotubes (CNTs) have the potential to be employed in many nano/microelectronic applications e.g., through silicon vias (TSVs), interconnects, transistors, etc. In particular, use of CNT bundles inside annular cylinders of copper (Cu) as TSV is proposed in this study. To evaluate mechanical integrity of CNT-Cu composite material, a molecular dynamics (MD) simulation of the interface between CNT and Cu is conducted. Different arrangements of single wall carbon nanotubes (SWCNTs) have been studied at interface of a Cu slab. Pullout forces have been applied to a SWCNT while Cu is spatially fixed. This study is repeated for several different cases where multiple CNT strands are interfaced with Cu slab. The results show similar behavior of the pull-out-displacement curves. After pull-out force reaches a maximum value, it oscillates around an average force with descending amplitude until the strand/s is/are completely pulled-out. A linear relationship between pull-out forces and the number of CNT strands was observed. Second order interaction effect was found to be negligible when multiple layers of CNTs were studied at the interface of Cu. C–Cu van der Waals (vdW) interaction was found to be much stronger than C–C vdW's interactions. Embedded length has no significance on the average pull-out force. However, the amplitude of oscillations increases as the length of CNTs increases. As expected when one end of CNT strand was fixed, owing to its extraordinary strength, large amount of force was required to pull it out. Finally, an analytical relationship is proposed to determine the interfacial shear strength between Cu and CNT bundle.
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