Robillard Alexander N, Gibson Graham W, Meyer Ralf
Bharti School of Engineering and Computer Science, Laurentian University, Sudbury P3E 2C6, Canada.
Beilstein J Nanotechnol. 2023 May 15;14:586-602. doi: 10.3762/bjnano.14.49. eCollection 2023.
The thermal conductance of nanowires is an oft-explored quantity, but its dependence on the nanowire shape is not completely understood. The behaviour of the conductance is examined as kinks of varying angular intensity are included into nanowires. The effects on thermal transport are evaluated through molecular dynamics simulations, phonon Monte Carlo simulations and classical solutions of the Fourier equation. A detailed look is taken at the nature of heat flux within said systems. The effects of the kink angle are found to be complex, influenced by multiple factors including crystal orientation, details of transport modelling, and the ratio of mean free path to characteristic system lengths. The effect of varying phonon reflection specularity on the heat flux is also examined. It is found that, in general, the flow of heat through systems simulated through phonon Monte Carlo methods is concentrated into a channel smaller than the wire dimensions, while this is not the case in the classical solutions of the Fourier model.
纳米线的热导率是一个经常被研究的量，但其对纳米线形状的依赖性尚未完全了解。当不同角强度的扭结被纳入纳米线时，研究了电导率的行为。通过分子动力学模拟、声子蒙特卡罗模拟和傅里叶方程的经典解来评估对热传输的影响。详细研究了所述系统内热流的性质。发现扭结角的影响很复杂，受多种因素影响，包括晶体取向、传输建模细节以及平均自由程与特征系统长度的比率。还研究了声子反射镜面性变化对热流的影响。结果发现，一般来说，通过声子蒙特卡罗方法模拟的系统中的热流集中在一个比导线尺寸小的通道中，而在傅里叶模型的经典解中情况并非如此。
