Advances in modelling and analysis of nano structures: a review

VS Chandel, G Wang, M Talha - Nanotechnology Reviews, 2020 - degruyter.com
Nanostructures are widely used in nano and micro-sized systems and devices such as
biosensors, nano actuators, nano-probes, and nano-electro-mechanical systems. The …

Numerical simulations of piezoelectricity and triboelectricity: From materials, structures to devices

S Li, X Tang, W Guo, Y Li, D Chen, J Zhang… - Applied Materials …, 2024 - Elsevier
Piezoelectric and triboelectric materials have been extensively reported with the capabilities
of generating polarized charges or voltages under various types of mechanical strains or …

Interfacial thermal resistance between few-layer MoS2 and silica substrates: A molecular dynamics study

H Farahani, A Rajabpour, M Khanaki… - Computational Materials …, 2018 - Elsevier
Interfacial thermal resistance (ITR) between molybdenum disulfide (MoS 2) and crystalline
or amorphous silica as a substrate was studied using molecular dynamics (MD) simulation …

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 …

Effect of deformation on dehydrogenation mechanisms of crumpled graphene: Molecular dynamics simulation

KA Krylova, JA Baimova, RR Mulyukov - Letters on Materials, 2019 - lettersonmaterials.com
Crumpled graphene, consisting of randomly oriented graphene flakes, repeated along three
x, y, z coordinate axes In this work, the effect of hydrostatic compression on dehydrogenation …

[HTML][HTML] Discrete breathers in graphane in thermal equilibrium

JA Baimova, RT Murzaev, AI Rudskoy - Physics Letters A, 2017 - Elsevier
Nonlinear dynamics of graphane (hydrogenated graphene) as well as some other properties
of this new promising material are of high interest nowadays. One of the main challenges is …

Mechanical properties of boron nitride nano-sheet reinforced aluminium nanocomposite: a molecular dynamics study

AK Srivastava, VK Pathak, M Kumar, R Kumar… - Molecular …, 2022 - Taylor & Francis
In this article, the mechanical properties of the boron-nitride nano-sheet (BNNS)-reinforced
aluminium (Al) nanocomposite are estimated by using molecular dynamics (MD) models …

Effect of grafted amine groups on in-plane tensile properties and high temperature structural stability of borophene nanoribbons

J Yuan, LW Zhang, KM Liew - RSC advances, 2015 - pubs.rsc.org
The effects of grafted amine groups on in-plane tensile properties and structural stability of
armchair and zigzag borophene nanoribbons (ABNRs and ZBNRs) are investigated by …

A molecular dynamics study on the interaction between epoxy and functionalized graphene sheets

LS Melro, R Pyrz, LR Jensen - IOP Conference Series: Materials …, 2016 - iopscience.iop.org
The interaction between graphene and epoxy resin was studied using molecular dynamics
simulations. The interfacial shear strength and pull out force were calculated for …

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 …