Scaling laws governing the elastic properties of 3D graphenes

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外文摘要：In this study,we comprehensively investigated the scaling law for elastic properties of three-dimensional honeycomb-like graphenes(3D graphenes)using hybrid neural network potential-based molecular dynamics simulations and theoretical analy-ses.The elastic constants were obtained as functions of honeycomb hole size,denoted by the graphene wall length L.All five independent elastic constants in the large-L limit are proportional to L-1.The associated coefficients are combinations of elastic constants of two-dimensional graphene.High-order terms including L-2 and L-3 emerge for finite L values.They have three origins,the distorted areas close to the joint lines of 3D graphenes,the variation in solid angles between graphene plates,and the bending distortion of graphene plates.Significantly,the chirality becomes essential with decreasing L because the joint line struc-tures are different between the armchair and zigzag-type 3D graphenes.Our findings provide insights into the elastic properties of graphene-based superstructures and can be used for further studies on graphene-based materials.

外文关键词：

scaling lawneural networkelastic properties3D graphene

作者：

LI Ming、LU Guo、YU HaoDong、LI MengLei、ZHENG FaWei

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作者单位：

Centre for Quantum Physics,Key Laboratory of Advanced Optoelectronic Quantum Architecture and Measurement(MOE),School of Physics,Beijing Institute of Technology,Beijing 100081,China

Beijing Key Lab of Nanophotonics & Ultrafine Optoelectronic Systems,School of Physics,Beijing Institute of Technology,Beijing 100081,China

Laboratory of Computational Physics,Institute of Applied Physics and Computational Mathematics,Beijing 100088,China

Department of Physics,Capital Normal University,Beijing 100048,China

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基金：

National Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of China

项目编号：

120224151197405612074271

出版年：

2024

DOI：

10.1007/s11431-023-2544-6