How Does van der Waals Confinement Enhance Phonon Transport?

作     者：余晓翔 马登科 邓程程 万骁 安盟 孟涵 李小波 黄晓明 杨诺 Xiaoxiang Yu;Dengke Ma;Chengcheng Deng;Xiao Wan;Meng An;Han Meng;Xiaobo Li;Xiaoming Huang;Nuo Yang

作者机构：State Key Laboratory of Coal CombustionHuazhong University of Science and TechnologyWuhan 430074China School of Energy and Power EngineeringHuazhong University of Science and TechnologyWuhan 430074China NNU-SULI Thermal Energy Research Center(NSTER)&Center for Quantum Transport and Thermal Energy Science(CQTES)School of Physics and TechnologyNanjing Normal UniversityNanjing 210023China College of Mechanical and Electrical EngineeringShaanxi University of Science and TechnologyXi’an 710021China 

出 版 物：《Chinese Physics Letters》 (中国物理快报（英文版）)

年 卷 期：2021年第38卷第1期

页      面：45-50页

核心收录：

学科分类：07[理学] 070202[理学-粒子物理与原子核物理] 0702[理学-物理学] 

基　　金：Supported by the National Natural Science Foundation of China(Grant Nos.51606072 and 51576077). 

主　　题：mechanism. phonon dynamical 

摘      要：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.