We investigate the lattice thermal conductivity of plumbene using molecular dynamics simulations, overcoming existing limitations by optimizing the parameters of Tersoff and Stillinger–Weber potentials via artificial neural networks. Our findings indicate that at room temperature, the thermal conductivity of a 1050 Å × 300 Å plumbene sheet is approximately 8 W m⁻¹ K⁻¹, significantly lower (23%) than that of bulk lead. Our analysis elucidates that thermal conductivity is enhanced by increased sample length, while it is reduced by temperature. Moreover, plumbene samples with zigzag edges display superior thermal conductivity compared to those with armchair edges. In addition, the thermal conductivity of plumbene exhibits an increase at low tensile strains, whereas it decreases as the strains become larger. This investigation provides crucial insights into the thermal conductivity behavior of plumbene under varying conditions.

中文翻译：

---

铅石热导率的分子动力学模拟研究


我们使用分子动力学模拟研究了铅垂烯的晶格热导率，通过人工神经网络优化 Tersoff 和 Stillinger-Weber 电位的参数，克服了现有的限制。我们的研究结果表明，在室温下，1050 Å × 300 Å 铅板的热导率约为 8 W ^{m-1 K-1}，明显低于块状铅的热导率 （23%）。我们的分析阐明，热导率会因样品长度的增加而增强，而热导率会因温度而降低。此外，与具有扶手椅边缘的样品相比，具有锯齿形边缘的铅白色样品显示出优异的导热性。此外，Plumbene 的热导率在低拉伸应变下表现出增加，而随着应变变大而降低。这项研究为了解铅相辉石在不同条件下的热导率行为提供了重要的见解。