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轴向拉伸下黑磷烯纳米管泊松比的研究

Research on the Poisson's Ratio of Black Phosphorene Nanotubes Under Axial Tension.

作者信息

Tan Xinjun, Fan Touwen, Zhang Kaiwang

机构信息

School of Physics and Optoelectronics, Xiangtan University, Xiangtan 411105, China.

Research Institute of Automobile Parts Technology, Hunan Institute of Technology, Hengyang 421002, China.

出版信息

Nanomaterials (Basel). 2025 Aug 15;15(16):1259. doi: 10.3390/nano15161259.

Abstract

In this paper, the Poisson's ratio of black phosphorene nanotubes was examined through the molecular dynamics simulation method. Our research discovered that for the armchair black phosphorene nanotubes, the radial strain and the wall thickness strain are negatively linearly correlated with the axial strain, and both the radial Poisson's ratio and the thickness Poisson's ratio are positive. For the zigzag black phosphorene nanotubes, the wall thickness strain is negatively, linearly correlated with the axial strain, while the radial strain has a cubic polynomial function relationship with the axial strain. The thickness Poisson's ratio is positive, while the radial Poisson's ratio is a quantity related to the axial strain. As the axial strain increases, the radial Poisson's ratio progressively diminishes from a positive value and becomes negative upon reaching a specific critical axial strain threshold. During the tensile deformation along the axial direction of the zigzag black phosphorene nanotubes, the radial strain initially decreases before subsequently increasing. Notably, the diameter of the nanotube may even surpass its initial value, demonstrating a radial expansion in response to axial tension.

摘要

在本文中,通过分子动力学模拟方法研究了黑磷纳米管的泊松比。我们的研究发现,对于扶手椅型黑磷纳米管,径向应变和壁厚应变与轴向应变呈负线性相关,径向泊松比和厚度泊松比均为正值。对于锯齿型黑磷纳米管,壁厚应变与轴向应变呈负线性相关,而径向应变与轴向应变具有三次多项式函数关系。厚度泊松比为正值,而径向泊松比是与轴向应变相关的量。随着轴向应变增加,径向泊松比从正值逐渐减小,在达到特定临界轴向应变阈值时变为负值。在锯齿型黑磷纳米管沿轴向拉伸变形过程中,径向应变先减小后增大。值得注意的是,纳米管的直径甚至可能超过其初始值,表明在轴向拉伸时会发生径向膨胀。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5ae0/12388628/65a239fd4330/nanomaterials-15-01259-g001.jpg

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