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Buckling analysis of boron nitride nanotube with and without defect using molecular dynamic simulation
Molecular Simulation ( IF 1.9 ) Pub Date : 2019-12-05 , DOI: 10.1080/08927022.2019.1697817
Hamid Zeighampour 1 , Yaghoub Tadi Beni 2, 3
Affiliation  

ABSTRACT In this paper, axial buckling of boron nitride nanotubes (BNNTs) has been investigated. In order to achieve this purpose, the molecular dynamics was adopted and the potential between the atoms of boron and nitrogen was considered as Tersoff type. For scrutinising the influence of chirality on the critical loads, zigzag, armchair and chiral BNNTs were utilised. The buckling of BNNTs was studied based on three types of multiple mono-atomic vacancy defects. The findings of the present study revealed that the impact of length, diameter and defect of BNNTs on critical loads was significant. Further, it was found that with increasing the length of BNNT the critical loads were decreased and also the critical loads were higher in zigzag BNNTs compared with armchair ones.

中文翻译:

有缺陷和无缺陷氮化硼纳米管的分子动力学模拟屈曲分析

摘要 本文研究了氮化硼纳米管 (BNNT) 的轴向屈曲。为了达到这个目的,采用分子动力学,硼和氮原子之间的势能被认为是Tersoff型。为了仔细检查手性对临界载荷的影响,使用了锯齿形、扶手椅和手性 BNNT。基于三种类型的多单原子空位缺陷研究了 BNNT 的屈曲。本研究的结果表明,BNNT 的长度、直径和缺陷对临界载荷的影响是显着的。此外,发现随着 BNNT 长度的增加,临界载荷降低,并且与扶手椅相比,锯齿形 BNNT 的临界载荷更高。
更新日期:2019-12-05
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