Abstract

Stationary states of a single-walled carbon nanotube array lying on a flat substrate formed by the surface of a molecular crystal are investigated. Numerical modeling showed that in the case of weak interaction with the substrate it is more energetically favorable for nanotubes to get assembled into multilayer packing, while in the case of strong interaction (e.g., the interaction with the h–BN crystal surface) they form monolayer packing (i.e., a chain on the substrate surface). The dynamics of nanotube chains is modeled. We show that acoustic supersonic solitons can exist only in small-diameter nanotubes (D < 0.8 nm), and soliton motion is always accompanied by energy loss to excitation of internal vibrations in nanotubes. Low-amplitude vibrations are analyzed. For a finite nanotube chain residing on a flat substrate, it is shown that vibrations are confined to only the end nanotubes or a nanotube that forms a structural defect in the chain.

中文翻译：

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平坦基底上碳纳米管链的动力学

摘要

研究了位于由分子晶体表面形成的平坦基板上的单壁碳纳米管阵列的静止状态。数值模型表明，在与基材的相互作用较弱的情况下，纳米管在能量上更有利于组装成多层填料，而在较强的相互作用（例如与h -BN晶体表面相互作用）的情况下，它们形成单层包装（即在基材表面上的链条）。纳米管链的动力学建模。我们证明了声超音速孤子只能存在于小直径的纳米管中（D<0.8 nm），并且孤子运动总是伴随着能量损失，从而激发了纳米管内部的振动。分析低振幅振动。对于驻留在平坦基底上的有限纳米管链，已表明振动仅局限在末端纳米管或在链中形成结构缺陷的纳米管。