Stress effect on lattice thermal conductivity of anode material NiNB_(2)O_(6)for lithium-ion batteries  

作　　者：陈奥 童话 吴成伟 谢国锋 谢忠祥 向长青 周五星 Ao Chen;Hua Tong;Cheng-Wei Wu;Guofeng Xie;Zhong-Xiang Xie;Chang-Qing Xiang;Wu-Xing Zhou(School of Materials Science and Engineering&Hunan Provincial Key Laboratory of Advanced Materials for New Energy Storage and Conversion,Hunan University of Science and Technology,Xiangtan 411201,China;School of Science,Hunan Institute of Technology,Hengyang 421002,China;College of Information Science and Engineering,Jishou University,Jishou 416000,China)

机构地区：[1]School of Materials Science and Engineering&Hunan Provincial Key Laboratory of Advanced Materials for New Energy Storage and Conversion,Hunan University of Science and Technology,Xiangtan 411201,China [2]School of Science,Hunan Institute of Technology,Hengyang 421002,China [3]College of Information Science and Engineering,Jishou University,Jishou 416000,China

出　　处：《Chinese Physics B》2023年第5期43-48,共6页中国物理B（英文版）

基　　金：the National Natural Science Foundation of China(Grant Nos.12074115 and 11874145);the Natural Science Foundation of Hunan Province,China(Grant No.2021JJ30202)。

摘　　要：The thermal transport properties of NiNB_(2)O_(6)as anode material for lithium-ion battery and the effect of strain were studied by machine learning interatomic potential combined with Boltzmann transport equation.The results show that the lattice thermal conductivity of NiNB_(2)O_(6)along the three crystal directions[100],[010],and[001]are 0.947 W·m^(-1)·K^(-1),0.727 W·m^(-1)·K^(-1),and 0.465 W·m^(-1)·K^(-1),respectively,indicating the anisotropy of the lattice thermal conductivity of NiNB_(2)O_(6).This anisotropy of the lattice thermal conductivity stems from the significant difference of phonon group velocities in different crystal directions of NiNB_(2)O_(6).When the tensile strain is applied along the[001]crystal direction,the lattice thermal conductivity in all three directions decreases.However,when the compressive strain is applied,the lattice thermal conductivity in the[100]and[010]crystal directions is increased,while the lattice thermal conductivity in the[001]crystal direction is abnormally reduced due to the significant inhibition of compressive strain on the group velocity.These indicate that the anisotropy of thermal conductivity of NiNB_(2)O_(6)can be enhanced by the compressive strain,and reduced by the tensile strain.

关 键 词：nickel niobate lattice thermal conductivity uniaxial strain machine learning potential 

分 类 号：TQ138.13[化学工程—无机化工] TM912[电气工程—电力电子与电力传动]