In this study, the buckling behavior of functionalized single- and double-walled boron-nitride nanotubes (SWBNNTs and DWBNNTs) with a monomer of chitosan using molecular dynamics (MD) simulations is explored. The effect of chemical adsorption of chitosan molecule on the critical buckling force and strain is investigated. The results show that the critical buckling force considerably increases as the chitosan is attached to the side wall of boron-nitride nanotube which is more considerable for larger radii of nanotube. Moreover, increasing the number of walls reduces the sensitivity of boron-nitride nanotube to the functionalization compared with similar SWBNNTs. Further, it is shown that critical buckling of functionalized BNNTs increases by rising the weight percentage of chitosan. Considering the critical strain, it is observed that functionalization reduces the critical strain of functionalized BNNTs which is more pronounced in the case of SWBNNTs with bigger radii. Moreover, the buckling mode shape of functionalized BNNTs is presented.

中文翻译：

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壳聚糖吸附对单壁和双壁氮化硼纳米管在压缩力下稳定性特性的影响使用分子动力学模拟

在这项研究中，使用分子动力学 (MD) 模拟探索了功能化单壁和双壁氮化硼纳米管（SWBNNT 和 DWBNNT）与壳聚糖单体的屈曲行为。研究了壳聚糖分子的化学吸附对临界屈曲力和应变的影响。结果表明，随着壳聚糖附着在氮化硼纳米管的侧壁上，临界屈曲力显着增加，这对于较大半径的纳米管来说更为显着。此外，与类似的 SWBNNT 相比，增加壁的数量会降低氮化硼纳米管对功能化的敏感性。此外，还表明功能化 BNNT 的临界屈曲通过增加壳聚糖的重量百分比而增加。考虑到临界应变，据观察，功能化降低了功能化 BNNT 的临界应变，这在具有更大半径的 SWBNNT 的情况下更为明显。此外，还介绍了功能化 BNNT 的屈曲模式形状。