The Crack Angle of 60° Is the Most Vulnerable Crack Front in Graphene According to MD Simulations

Graphene is a type of 2D material with unique properties and promising applications. Fracture toughness and the tensile strength of a material with cracks are the most important parameters, as micro-cracks are inevitable in the real world. In this paper, we investigated the mechanical properties of...

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Autores principales:	Ishaq I. Alahmed, Sameh M. Altanany, Ismail Abdulazeez, Hassan Shoaib, Abduljabar Q. Alsayoud, Adel Abbout, Qing Peng
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	graphene crack angle mechanical properties stress–strain fracture toughness strain rate Crystallography QD901-999
Acceso en línea:	https://doaj.org/article/8a85526c925c474aaec52abf23e51701
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spelling	oai:doaj.org-article:8a85526c925c474aaec52abf23e517012021-11-25T17:18:45ZThe Crack Angle of 60° Is the Most Vulnerable Crack Front in Graphene According to MD Simulations10.3390/cryst111113552073-4352https://doaj.org/article/8a85526c925c474aaec52abf23e517012021-11-01T00:00:00Zhttps://www.mdpi.com/2073-4352/11/11/1355https://doaj.org/toc/2073-4352Graphene is a type of 2D material with unique properties and promising applications. Fracture toughness and the tensile strength of a material with cracks are the most important parameters, as micro-cracks are inevitable in the real world. In this paper, we investigated the mechanical properties of triangular-cracked single-layer graphene via molecular dynamics (MD) simulations. The effect of the crack angle, size, temperature, and strain rate on the Young’s modulus, tensile strength, fracture toughness, and fracture strain were examined. We demonstrated that the most vulnerable triangle crack front angle is about 60°. A monitored increase in the crack angle under constant simulation conditions resulted in an enhancement of the mechanical properties. Minor effects on the mechanical properties were obtained under a constant crack shape, constant crack size, and various system sizes. Moreover, the linear elastic characteristics, including fracture toughness, were found to be remarkably influenced by the strain rate variations.Ishaq I. AlahmedSameh M. AltananyIsmail AbdulazeezHassan ShoaibAbduljabar Q. AlsayoudAdel AbboutQing PengMDPI AGarticlegraphenecrack anglemechanical propertiesstress–strainfracture toughnessstrain rateCrystallographyQD901-999ENCrystals, Vol 11, Iss 1355, p 1355 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	graphene crack angle mechanical properties stress–strain fracture toughness strain rate Crystallography QD901-999
spellingShingle	graphene crack angle mechanical properties stress–strain fracture toughness strain rate Crystallography QD901-999 Ishaq I. Alahmed Sameh M. Altanany Ismail Abdulazeez Hassan Shoaib Abduljabar Q. Alsayoud Adel Abbout Qing Peng The Crack Angle of 60° Is the Most Vulnerable Crack Front in Graphene According to MD Simulations
description	Graphene is a type of 2D material with unique properties and promising applications. Fracture toughness and the tensile strength of a material with cracks are the most important parameters, as micro-cracks are inevitable in the real world. In this paper, we investigated the mechanical properties of triangular-cracked single-layer graphene via molecular dynamics (MD) simulations. The effect of the crack angle, size, temperature, and strain rate on the Young’s modulus, tensile strength, fracture toughness, and fracture strain were examined. We demonstrated that the most vulnerable triangle crack front angle is about 60°. A monitored increase in the crack angle under constant simulation conditions resulted in an enhancement of the mechanical properties. Minor effects on the mechanical properties were obtained under a constant crack shape, constant crack size, and various system sizes. Moreover, the linear elastic characteristics, including fracture toughness, were found to be remarkably influenced by the strain rate variations.
format	article
author	Ishaq I. Alahmed Sameh M. Altanany Ismail Abdulazeez Hassan Shoaib Abduljabar Q. Alsayoud Adel Abbout Qing Peng
author_facet	Ishaq I. Alahmed Sameh M. Altanany Ismail Abdulazeez Hassan Shoaib Abduljabar Q. Alsayoud Adel Abbout Qing Peng
author_sort	Ishaq I. Alahmed
title	The Crack Angle of 60° Is the Most Vulnerable Crack Front in Graphene According to MD Simulations
title_short	The Crack Angle of 60° Is the Most Vulnerable Crack Front in Graphene According to MD Simulations
title_full	The Crack Angle of 60° Is the Most Vulnerable Crack Front in Graphene According to MD Simulations
title_fullStr	The Crack Angle of 60° Is the Most Vulnerable Crack Front in Graphene According to MD Simulations
title_full_unstemmed	The Crack Angle of 60° Is the Most Vulnerable Crack Front in Graphene According to MD Simulations
title_sort	crack angle of 60° is the most vulnerable crack front in graphene according to md simulations
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/8a85526c925c474aaec52abf23e51701
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The Crack Angle of 60° Is the Most Vulnerable Crack Front in Graphene According to MD Simulations

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