The Effects of Dislocation Dipoles on the Failure Strength of Wrinkled Graphene from Atomistic Simulation

Angelina Kh Akhunova ^{1, 2}

Leysan Kh Galiakhmetova ¹

J.A. Baimova ^{1, 2}

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Institute for Metals Superplasticity Problems of the Russian Academy of Sciences, Khalturina 39, 450001 Ufa, Russia |

Physical-Technical Institute, Ufa University of Science and Technology, Z. Validi 32, 450076 Ufa, Russia |

Publication type: Journal Article

Publication date: 2022-12-20

MDPI

Journal: Applied Sciences (Switzerland)

scimago Q2

SJR: 0.508

CiteScore: 5.3

Impact factor: 2.5

ISSN: 20763417

DOI: 10.3390/app13010009

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Computer Science Applications

Process Chemistry and Technology

General Materials Science

Instrumentation

General Engineering

Fluid Flow and Transfer Processes

Abstract

This research paper studies the fracture and mechanical properties of rippled graphene containing dislocation dipoles. The atomistic simulation is performed to study the deformation behavior of pristine and defective wrinkled graphene. Graphene wrinkling considerably decreases the ultimate tensile strength of graphene with and without defects but increases the fracture strain. For graphene with the dislocation dipoles, temperature increase slightly affects mechanical properties, in contrast to graphene and graphene with Stone–Wales defect. The extremely similar slopes of the stress-strain curves for graphene with the dislocation dipoles with different arms imply that the distance between dislocations in the dipole does not have noticeable effects on the elastic modulus and strength of graphene. Defects in graphene can also affect its wrinkling; for example, preventing wrinkle formation.

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