Mechanics and Crack Analysis of Irida Graphene Bilayer Composite: A Molecular Dynamics Study

Author:

Li Jianyu12ORCID,Han Mingjun12,Zhao Shuai3,Li Teng34,Yu Taotao12,Zhang Yinghe12,Tang Ho-Kin12ORCID,Peng Qing134ORCID

Affiliation:

1. School of Science, Harbin Institute of Technology (Shenzhen), Shenzhen 518055, China

2. Shenzhen Key Laboratory of Advanced Functional Carbon Materials Research and Comprehensive Application, Harbin Institute of Technology (Shenzhen), Shenzhen 518055, China

3. State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190, China

4. Guangdong Aerospace Research Academy, Guangzhou 511458, China

Abstract

In this paper, we conducted molecular dynamics simulations to investigate the mechanical properties of double-layer and monolayer irida graphene (IG) structures and the influence of cracks on them. IG, a new two-dimensional material comprising fused rings of 3-6-8 carbon atoms, exhibits exceptional electrical and thermal conductivity, alongside robust structural stability. We found the fracture stress of the irida graphene structure on graphene sheet exceeds that of the structure comprising solely irida graphene. Additionally, the fracture stress of bilayer graphene significantly surpasses that of bilayer irida graphene. We performed crack analysis in both IG and graphene and observed that perpendicular cracks aligned with the tensile direction result in decreased fracture stress as the crack length increases. Moreover, we found that larger angles in relation to the tensile direction lead to reduced fracture stress. Across all structures, 75° demonstrated the lowest stress and strain. These results offer valuable implications for utilizing bilayer and monolayer IG in the development of advanced nanoscale electronic devices.

Funder

Start-Up Research Fund in HITSZ

Young Scientists Fund of the National Natural Science Foundation of China

Shenzhen Key Laboratory of Advanced Functional Carbon Materials Research and Comprehensive Application

Shenzhen Science and Technology Program

National Natural Science Foundation of China

High-level Innovation Research Institute Program of Guangdong Province

Publisher

MDPI AG

Subject

Engineering (miscellaneous),Ceramics and Composites

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