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Extracting the inner wall from nested double-walled carbon nanotube by platinum nanowire: molecular dynamics simulations

机译:铂纳米线从嵌套式双壁碳纳米管中提取内壁:分子动力学模拟

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摘要

The sliding behavior of interwalls between double-walled carbon nanotubes (DWCNTs) is studied by molecular dynamics (MD) simulations. The results show that a platinum (Pt) nanowire (NW) is able to push out a single wall from the DWCNT. The pushout process is strongly dependent on the match level of the NW radius and the inner wall CNT radius. The match radius of the Pt NW and the inner CNT wall will form perfect single-walled CNT (SWCNT) and Pt/CNT core/shell nanostructure. In addition, the bonding interactions between the Pt NW and the CNT are also studied. The shear stress between the Pt NW and CNT is in megapascal magnitude. The chirality has little effect on the interfacial bonding and the shear stress between the Pt NW and the CNT. This study will shed light on the understanding of the lubrication mechanism of the multi-walled CNT and the metal NWs in realistic situations.
机译:通过分子动力学(MD)模拟研究了双壁碳纳米管(DWCNT)之间的壁间滑动行为。结果表明,铂(Pt)纳米线(NW)能够从DWCNT推出单壁。推出过程在很大程度上取决于NW半径和内壁CNT半径的匹配程度。 Pt NW和内部CNT壁的匹配半径将形成完美的单壁CNT(SWCNT)和Pt / CNT核/壳纳米结构。此外,还研究了Pt NW与CNT之间的键相互作用。 Pt NW和CNT之间的剪切应力为兆帕级。手性对Pt NW和CNT之间的界面键和剪切应力影响很小。该研究将为人们在现实情况下对多壁碳纳米管和金属纳米线的润滑机理的理解提供启示。

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