Effect of out-of-plane defects on the postbuckling behavior of graphene sheets based on nonlocal elasticity theory

A Soleimani, K Dastani, A Hadi, MH Naei - Steel and Composite …, 2019 - dbpia.co.kr
In this paper, the effects of inevitable out-of-plane defects on the postbuckling behavior of
single-layered graphene sheets (SLGSs) under in-plane loadings are investigated based on …

Molecular dynamics simulation on the buckling of single-layer MoS2 sheet with defects under uniaxial compression

Y Li, P Chen, C Zhang, J Peng, F Gao, H Liu - Computational Materials …, 2019 - Elsevier
The buckling behavior of a single layer MoS 2 (SLMoS 2) sheet with defects under uniaxial
compression is investigated with molecular simulation in the present paper. Five typical …

Strain-induced shifts in defective graphite phonon modes predicted by density functional theory

SB Isbill, AE Shields, ZE Brubaker… - The Journal of …, 2024 - ACS Publications
Carbon fiber composites have gained attention as a structural material because of their high
strength-to-weight ratio, and understanding the effect of defects on reactivity and mechanical …

The effect of high concentrations and orientations of Stone–Wales defects on the thermal conductivity of graphene nanoribbons

S Ebrahimi, M Azizi - Molecular Simulation, 2018 - Taylor & Francis
The influence of the orientations and concentrations of the Stone–Wales (SW) defects on the
thermal conductivity of zigzag and armchair graphene nanoribbons (GNRs) is explored …

Effect of hydrogen coverage on the buckling of penta-graphene by molecular dynamics simulation

S Ebrahimi - Molecular Simulation, 2016 - Taylor & Francis
By employing a series of MD simulations, buckling behaviour of penta-graphene and
functionalised penta-graphene having different hydrogen (H) coverage is presented in this …

Properties of graphene deposited on GaN nanowires: influence of nanowire roughness, self-induced nanogating and defects

J Kierdaszuk, P Kaźmierczak, J Grzonka… - Beilstein Journal of …, 2021 - beilstein-journals.org
We present detailed Raman studies of graphene deposited on gallium nitride nanowires
with different variations in height. Our results indicate that different density and height of …

The effect of Stone-Wales defects and roughness degree on the lubricity of graphene on gold surfaces

S Ebrahimi - Journal of Molecular Modeling, 2018 - Springer
In this study, the lubricity of perfect and defective graphene on the gold substrate (Au (111))
has been investigated by using molecular dynamics simulations. The influence of surface …

Recent developments in multiscale thermomechanical analysis of nanocomposites

JN Reddy, VU Unnikrishnan… - Advances in …, 2016 - Springer
Multifunctional nanocomposite materials have been used extensively in aerospace,
mechanical, civil engineering industries, and other engineering applications. This is mainly …

The stability of graphene-based Möbius strip with vacancy and at high-temperature

K Yang, C Zhang, X Zheng, X Wang… - International Journal of …, 2018 - World Scientific
The structural and electronic properties of mono-vacancy (MV) defect in graphene-based
Möbius strip (GMS) are studied in the framework of density functional theory (DFT) combined …

To what extent can mutual shifting of folded carbonaceous walls in slit-like pores affect their adsorption properties?

S Furmaniak, AP Terzyk, PA Gauden… - Journal of Physics …, 2015 - iopscience.iop.org
We have performed systematic Monte Carlo studies on the influence of shifting the walls in
slit-like systems constructed from folded graphene sheets on their adsorption properties …