Hu Shiqian, Zhang Zhongwei, Jiang Pengfei, Ren Weijun, Yu Cuiqian, Shiomi Junichiro, Chen Jie
Center for Phononics and Thermal Energy Science, China-EU Joint Lab for Nanophononics, Shanghai Key Laboratory of Special Artificial Microstructure Materials and Technology, School of Physics Science and Engineering, Tongji University, Shanghai 200092, People's Republic of China.
Nanoscale. 2019 Jun 20;11(24):11839-11846. doi: 10.1039/c9nr02548k.
Recently, increasing efforts are being made to control thermal transport via coherent phonons in periodic phononic structures; however, the direct observation of coherent phonon transport is experimentally very difficult at ambient temperature, and the importance of coherent phonons to the total thermal conductivity has not been critically assessed to date. In this study, using the non-equilibrium molecular dynamics simulations, we studied coherent phonon transport in a C3N phononic crystal (CNPnC) structure at room temperature by changing the porosity. When the holes were randomly distributed to construct the disordered C3N (D-C3N) structure, the localization of the coherent phonons was revealed by the phonon transmission coefficient, phonon wave packet simulation, phonon participation ratio and spatial energy density, which led to a significant reduction in the thermal conductivity. Finally, the effects of the length, temperature and strain on the thermal conductivity of CNPnC and D-C3N have also been discussed. Our study provides a solid understanding of the coherent phonon transport behavior, which will be beneficial for phononic-related control based on coherent phonons.
近年来,人们越来越致力于通过周期性声子结构中的相干声子来控制热传输;然而,在环境温度下通过实验直接观察相干声子传输非常困难,并且到目前为止,相干声子对总热导率的重要性尚未得到严格评估。在本研究中,我们使用非平衡分子动力学模拟,通过改变孔隙率研究了室温下C3N声子晶体(CNPnC)结构中的相干声子传输。当随机分布孔洞以构建无序C3N(D-C3N)结构时,通过声子传输系数、声子波包模拟、声子参与率和空间能量密度揭示了相干声子的局域化,这导致热导率显著降低。最后,还讨论了长度、温度和应变对CNPnC和D-C3N热导率的影响。我们的研究为相干声子传输行为提供了坚实的理解,这将有利于基于相干声子的声子相关控制。