Optimizing Twin 4-8 Graphene for Advanced Applications through Mechanical Insights: Molecular Dynamics Approach

Document Type : Research Paper

Authors
Hongfeng Wu 1
Jie Zhang 2
1 Faculty of Maths & Physical Sciences, University College London, Gower St, London WC1E 6BT, UK
2 China Railway Corporation Wuhan Railway Bureau Hankou Railway Station, 430023, China
10.22055/jacm.2025.48338.5160
Abstract
The mechanical properties of Twin 4-8 graphene nanosheets were systematically investigated using molecular dynamics simulations. This study examines the influence of size, temperature, defects, and layer number on the stress-strain behavior, Young’s modulus, ultimate stress, fracture strain, and toughness of this novel 2D material. The simulations revealed that smaller nanosheets exhibit heightened sensitivity to edge effects, while larger sheets demonstrate improved stress distribution. Temperature variations significantly affect stiffness and ductility, with higher temperatures enhancing flexibility but reducing strength. Defects play a critical role in weakening the nanosheets by introducing stress concentration sites, while the number of layers impacts interlayer interactions and mechanical resilience. These findings provide key insights into the structural stability and performance optimization of Twin 4-8 graphene for applications in nanoelectronics, flexible devices, and advanced material systems.
Keywords
Twin 4-8 Graphene
Molecular dynamics simulations
Mechanical properties
Stress-strain behavior
Defects
Temperature effects
Subjects

Publisher’s Note Shahid Chamran University of Ahvaz remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

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Journal of Applied and Computational Mechanics
Volume 12, Issue 2
Spring 2026
Pages 430-451