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高速撞击下氮化硼纳米管的结构与动力学特性

The structural and dynamical aspects of boron nitride nanotubes under high velocity impacts.

作者信息

Machado Leonardo D, Ozden Sehmus, Tiwary ChandraSekhar, Autreto Pedro A S, Vajtai Robert, Barrera Enrique V, Galvao Douglas S, Ajayan Pulickel M

机构信息

Department of Material Science and NanoEngineering, Rice University, Houston, Texas 77005, USA.

Universidade Federal do ABC, Santo André-SP, 09210-580, Brazil.

出版信息

Phys Chem Chem Phys. 2016 Jun 1;18(22):14776-81. doi: 10.1039/c6cp01949h.

Abstract

This communication report is a study on the structural and dynamical aspects of boron nitride nanotubes (BNNTs) shot at high velocities (∼5 km s(-1)) against solid targets. The experimental results show unzipping of BNNTs and the formation of hBN nanoribbons. Fully atomistic reactive molecular dynamics simulations were also carried out to gain insights into the BNNT fracture patterns and deformation mechanisms. Our results show that longitudinal and axial tube fractures occur, but the formation of BN nanoribbons from fractured tubes was only observed for some impact angles. Although some structural and dynamical features of the impacts are similar to the ones reported for CNTs, because BNNTs are more brittle than CNTs this results in a larger number of fractured tubes but with fewer formed nanoribbons.

摘要

本通讯报告是一项关于高速(约5 km s⁻¹)撞击固体靶材的氮化硼纳米管(BNNTs)的结构和动力学方面的研究。实验结果表明BNNTs出现了开拉链现象并形成了hBN纳米带。还进行了全原子反应分子动力学模拟,以深入了解BNNT的断裂模式和变形机制。我们的结果表明,出现了纵向和轴向的管断裂,但仅在某些撞击角度下观察到从断裂管中形成BN纳米带。尽管撞击的一些结构和动力学特征与报道的碳纳米管(CNTs)相似,但由于BNNTs比CNTs更脆,这导致断裂的管数量更多,但形成的纳米带数量更少。

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