Atomistic simulations of mechanical properties and fracture of graphene: A review

MA Torkaman-Asadi, MA Kouchakzadeh - Computational Materials Science, 2022 - Elsevier
Material properties and fracture characteristics are among the most prominent parameters
that should be considered for a wide range of graphene applications. This article reviews …

Fracture at the two-dimensional limit

B Ni, D Steinbach, Z Yang, A Lew, B Zhang, Q Fang… - Mrs Bulletin, 2022 - Springer
More than a century ago, AA Griffith published the seminal paper establishing the
foundational framework for fracture mechanics. The elegant theory creatively introduced the …

An ordinary state-based peridynamic model for the fracture of zigzag graphene sheets

X Liu, X He, J Wang, L Sun… - Proceedings of the …, 2018 - royalsocietypublishing.org
This study develops an ordinary state-based peridynamic coarse-graining (OSPD-CG)
model for the investigation of fracture in single-layer graphene sheets (SLGS), in which the …

Characterizing fracture stress of defective graphene samples using shallow and deep artificial neural networks

MAN Dewapriya, R Rajapakse, WPS Dias - Carbon, 2020 - Elsevier
Advanced machine learning methods could be useful to obtain novel insights into some
challenging nanomechanical problems. In this work, we employed artificial neural networks …

Engineered defects to modulate fracture strength of single layer MoS2: An atomistic study

RASI Subad, TS Akash, P Bose, MM Islam - Physica B: Condensed Matter, 2020 - Elsevier
We use classical molecular dynamics (MD) simulations to investigate the mechanical
properties of pre-cracked, nano-porous single layer MoS 2 (SLMoS 2) and the effect of …

Tailoring fracture strength of graphene

MAN Dewapriya, SA Meguid - Computational Materials Science, 2018 - Elsevier
We conducted molecular dynamics simulations to investigate the atomistic edge crack–
vacancy interactions in graphene. We demonstrate that the crack–tip stress field of an …

Multiscale modelling of graphene sheet and its application in laminated composites

Y Wang, K Niu, Y Wu - Composite Structures, 2021 - Elsevier
Multiscale modeling strategy development of graphene and its composites is of critical
importance in engineering and technological applications. In this work, we systematically …

Uncovering stress fields and defects distributions in graphene using deep neural networks

MAN Dewapriya, R Rajapakse, WPS Dias - International Journal of …, 2023 - Springer
Deep learning provides a new route for developing computationally efficient predictive
models for some complex engineering problems by eliminating the need for establishing …

Tuning the mechanical properties of silicene nanosheet by auxiliary cracks: a molecular dynamics study

SM Nahid, S Nahian, M Motalab, T Rakib… - RSC …, 2018 - pubs.rsc.org
Silicene has become a topic of interest nowadays due to its potential application in various
electro-mechanical nanodevices. In our previous work on silicene, fracture stresses of single …

Effect of angle, temperature and vacancy defects on mechanical properties of PSI-graphene

L Xie, T Sun, C He, H An, Q Qin, Q Peng - Crystals, 2019 - mdpi.com
The PSI-graphene, a two-dimensional structure, was a novel carbon allotrope. In this paper,
based on molecular dynamics simulation, the effects of stretching direction, temperature and …