Tunable Anisotropic Lattice Thermal Conductivity in One-Dimensional Superlattices from Molecular Dynamics Simulations

作     者：WANG Xiuqi AN Meng MA Weigang ZHANG Xing WANG Xiuqi;AN Meng;MA Weigang;ZHANG Xing

作者机构：Key Laboratory for Thermal Science and Power Engineering of Ministry of EducationDepartment of Engineering MechanicsTsinghua UniversityBeijing 100084China College of Mechanical and Electrical EngineeringShaanxi University of Science and TechnologyXi'an 710021China 

出 版 物：《Journal of Thermal Science》 (热科学学报（英文版）)

年 卷 期：2022年第31卷第4期

页      面：1068-1075页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 08[工学] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0702[理学-物理学] 

基　　金：supported by the National Natural Science Foundation of China(Nos.52176078,52006130,and 51827807) China Postdoctoral Science Foundation(Nos.2020M670321 and 2021T140359) 

主　　题：anisotropic thermal conductivity superlattices phonon transport molecular dynamical simulations 

摘      要：Engineering nanostructured superlattices provides an effective solution toward the realization of high-performance thermoelectric device and thermal management materials,where the anisotropic thermal conductivity is critical for designing orientation-dependent thermal ***,the lattice thermal conductivity anisotropy of Al/Ag superlattices as one typical example of superlattice materials is investigated utilizing non-equilibrium molecular dynamics *** cross-plane and in-plane lattice thermal conductivities of one-dimensional superlattices are in the ranges of 0.5–3.2 W/(m·K)and 1.8–5.1 W/(m·K)at different period lengths,respectively,both of which are smaller than those of bulk *** specifically,the cross-plane lattice thermal conductivity of superlattices increases with the period length,while the in-plane phonon thermal conductivity first increases and then trends to convergence,resulting in the non-monotonic thermal anisotropy *** further reveal the microscopic phonon transport mechanism,the interfacial phonon thermal resistance,density of states and spectral phonon transmission coefficient including anharmonic phonon properties under different period lengths are *** results can be helpful for understanding phonon transport in low-dimensional materials and provide guidance for optimizing the thermal conductivity anisotropy of superlattice materials in the application ranging from thermoelectric devices to thermal management in micro/nano systems.