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一维和二维碳化锗及碳化锡纳米结构力学行为的数值模拟研究

Numerical Simulation Study of the Mechanical Behaviour of 1D and 2D Germanium Carbide and Tin Carbide Nanostructures.

作者信息

Fernandes José V, Pereira André F G, Antunes Jorge M, Chaparro Bruno M, Sakharova Nataliya A

机构信息

Centre for Mechanical Engineering, Materials and Processes (CEMMPRE), Advanced Production and Intelligent Systems, Associated Laboratory (ARISE), Department of Mechanical Engineering, University of Coimbra, Rua Luís Reis Santos, Pinhal de Marrocos, 3030-788 Coimbra, Portugal.

Abrantes High School of Technology, Polytechnic Institute of Tomar, Quinta do Contador, Estrada da Serra, 2300-313 Tomar, Portugal.

出版信息

Materials (Basel). 2023 Aug 5;16(15):5484. doi: 10.3390/ma16155484.

DOI:10.3390/ma16155484
PMID:37570189
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10419946/
Abstract

One-dimensional (nanotubes) and two-dimensional (nanosheets) germanium carbide (GeC) and tin carbide (SnC) structures have been predicted and studied only theoretically. Understanding their mechanical behaviour is crucial, considering forthcoming prospects, especially in batteries and fuel cells. Within this framework, the present study aims at the numerical evaluation of the elastic properties, surface Young's and shear moduli and Poisson's ratio, of GeC and SnC nanosheets and nanotubes, using a nanoscale continuum modelling approach. A robust methodology to assess the elastic constants of the GeC and SnC nanotubes without of the need for numerical simulation is proposed. The surface Young's and shear moduli of the GeC and SnC nanotubes and nanosheets are compared with those of their three-dimensional counterparts, to take full advantage of 1D and 2D germanium carbide and tin carbide in novel devices. The obtained outcomes establish a solid basis for future explorations of the mechanical behaviour of 1D and 2D GeC and SnC nanostructures, where the scarcity of studies is evident.

摘要

一维(纳米管)和二维(纳米片)碳化锗(GeC)和碳化锡(SnC)结构仅在理论上得到了预测和研究。考虑到未来的前景,尤其是在电池和燃料电池方面,了解它们的力学行为至关重要。在此框架内,本研究旨在采用纳米尺度连续介质建模方法,对GeC和SnC纳米片及纳米管的弹性性能、表面杨氏模量和剪切模量以及泊松比进行数值评估。提出了一种无需数值模拟即可评估GeC和SnC纳米管弹性常数的稳健方法。将GeC和SnC纳米管及纳米片的表面杨氏模量和剪切模量与其三维对应物的进行比较,以便在新型器件中充分利用一维和二维碳化锗和碳化锡。所获得的结果为未来探索一维和二维GeC和SnC纳米结构的力学行为奠定了坚实基础,目前这方面的研究明显不足。

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