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首页> 外文期刊>Journal of Physics, D. Applied Physics: A Europhysics Journal >Elastocaloric effect on the piezoelectric potential of boron nitride nanotubes
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Elastocaloric effect on the piezoelectric potential of boron nitride nanotubes

机译：对氮化硼纳米管压电电位的弹性焦

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摘要

In this paper, molecular dynamics (MD) simulations and analytical calculations are performed to study the influence of the elastocaloric effect (ECE) on the piezoelectric potential of hexagonal boron nitride (BN) nanotubes. To take into account the ECE in the simulations and calculations, the adiabatic condition is required. To reach this goal, the heat transfer between the BN nanotubes and their environment is excluded in the present study. In MD simulations, we find a large ECE in BN nanotubes, which will make the temperature of the BN nanotubes greatly change after external loads are applied on them. Moreover, the piezoelectric and dielectric properties of BN nanotubes calculated from MD simulations are found to be strongly dependent on the temperature. The temperature-dependent piezoelectric and dielectric properties together with the ECE are thus considered in the analytical calculations of the piezoelectric potential of BN nanotubes. The obtained analytical results reveal that the large ECE in BN nanotubes will make the piezoelectric potential of BN nanotubes strongly depend on the loading path of external loads. Specifically, stretching a BN nanotube is found to be more efficient than compressing the nanotube to generate the piezoelectric potential. These results are expected to significantly expand the knowledge of the electromechanical behaviours of piezoelectric nanomaterials and provide important guidelines for the optimum design of piezotronics nanodevices.
机译：在本文中，进行分子动力学（MD）模拟和分析计算，以研究弹性效应（ECE）对六边形氮化硼（BN）纳米管的压电电位的影响。要考虑到eCE在模拟和计算中，需要绝热条件。为了达到这种目标，在本研究中排除了BN纳米管和它们的环境之间的热传递。在MD模拟中，我们在BN纳米管中找到一个大ECE，这将使BN纳米管的温度大大变化，在外部载荷施加到它们上。此外，发现由MD仿真计算的BN纳米管的压电和介电性能强烈取决于温度。因此，在BN纳米管的压电电位的分析计算中考虑将温度相关的压电和电介质特性与ECE一起考虑。获得的分析结果表明，BN纳米管中的大ECE将使BN纳米管的压电电位强烈取决于外部负载的负载路径。具体地，发现延伸BN纳米管比压缩纳米管更有效，以产生压电电位。这些结果预计将大大扩展压电纳米材料的机电行为的知识，并为压电龙纳米型纳米型的最佳设计提供重要指导。

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