How Does van der Waals Confinement Enhance Phonon Transport?
Xiaoxiang Yu1,2†, Dengke Ma1,3†, Chengcheng Deng2*, Xiao Wan2, Meng An1,4, Han Meng2, Xiaobo Li2, Xiaoming Huang2*, and Nuo Yang1,2*
1State Key Laboratory of Coal Combustion, Huazhong University of Science and Technology, Wuhan 430074, China 2School of Energy and Power Engineering, Huazhong University of Science and Technology, Wuhan 430074, China 3NNU-SULI Thermal Energy Research Center (NSTER) & Center for Quantum Transport and Thermal Energy Science (CQTES), School of Physics and Technology, Nanjing Normal University, Nanjing 210023, China 4College of Mechanical and Electrical Engineering, Shaanxi University of Science and Technology, Xi'an 710021, China
Abstract：We study the mechanism of van der Waals (vdW) interactions on phonon transport in atomic scale, which would boost developments in heat management and energy conversion. Commonly, the vdW interactions are regarded as a hindrance in phonon transport. Here we propose that the vdW confinement can enhance phonon transport. Through molecular dynamics simulations, it is realized that the vdW confinement is able to make more than two-fold enhancement on thermal conductivity of both polyethylene single chain and graphene nanoribbon. The quantitative analyses of morphology, local vdW potential energy and dynamical properties are carried out to reveal the underlying physical mechanism. It is found that the confined vdW potential barriers reduce the atomic thermal displacement magnitudes, leading to less phonon scattering and facilitating thermal transport. Our study offers a new strategy to modulate the phonon transport.
收稿日期: 2020-10-06
出版日期: 2020-11-25
引用本文:
. [J]. 中国物理快报, 2021, 38(1): 14401-014401.
Xiaoxiang Yu, Dengke Ma, Chengcheng Deng, Xiao Wan, Meng An, Han Meng, Xiaobo Li, Xiaoming Huang, and Nuo Yang. How Does van der Waals Confinement Enhance Phonon Transport?. Chin. Phys. Lett., 2021, 38(1): 14401-014401.
2021, Vol. 38 
