Mechanical properties of silicon-germanium nanotubes: a molecular dynamics study

A Dadrasi, AR Albooyeh, AH Mashhadzadeh - Applied Surface Science, 2019 - Elsevier
In current article, molecular dynamic simulation was selected to estimate the mechanical
properties of silicon‑germanium nanotubes (SiGeNTs) according to their chirality, dimension …

Effect of point defects and low-density carbon-doped on mechanical properties of BNNTs: A molecular dynamics study

AR Albooyeh, A Dadrasi, AH Mashhadzadeh - Materials Chemistry and …, 2020 - Elsevier
By the employment of molecular dynamic simulations (MD), we investigated the mechanical
properties of defective single-walled Boron nitride nanotubes (SWBNNTs) with zigzag and …

Fracture behavior of SiGe nanosheets: mechanics of monocrystalline vs. polycrystalline structure

MZ Dehaghani, ME Safa, F Yousefi… - Engineering Fracture …, 2021 - Elsevier
Abstract 2D materials present promising features, but their intrinsic defects, especially at
high temperatures, should be considered for usage under harsh conditions. Molecular …

Mechanical, electronic and stability properties of multi-walled beryllium oxide nanotubes and nanopeapods: a density functional theory study

Y Rostamiyan, V Mohammadi… - Journal of Molecular …, 2020 - Springer
Abstract Single-, double-, and triple-walled beryllium oxide nanotubes (BeONTs) along with
BeO nanopeapods were simulated and geometrically optimized under the density functional …

Longitudinal, transverse, and torsional free vibrational and mechanical behavior of silicon nanotubes using an atomistic model

HS Jahromi, AR Setoodeh - Materials Research, 2020 - SciELO Brasil
Silicon nanotubes (SiNTs) have been successfully synthesized recently. Despite the wide
potential applications of SiNTs, their mechanical properties are rarely reported. In this study …

Improved tensile and buckling behavior of defected carbon nanotubes utilizing boron nitride coating–A molecular dynamic study

H Badjian, AR Setoodeh - Physica B: Condensed Matter, 2017 - Elsevier
Synthesizing inorganic nanostructures such as boron nitride nanotubes (BNNTs) have led to
immense studies due to their many interesting functional features such as piezoelectricity …

Atomistic study of mono/multi-atomic vacancy defects on the mechanical characterization of boron-doped graphene sheets

AR Setoodeh, H Badjian, HS Jahromi - Journal of molecular modeling, 2017 - Springer
Graphene is known for its exceptional mechanical and electrical properties when in the form
of a hexagonal monolayer of carbon atoms. In this study, the mechanical properties of …

Mechanical characteristics and failure behavior of puckered and buckled allotropes of antimonene nanotubes: a molecular dynamics study

M Cetin, M Kirca - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
In recent years, antimonene nanotubes have attracted considerable interest for diverse
applications owing to their promising physical properties. In this study, classical molecular …

Mechanical behavior enhancement of defective graphene sheet employing boron nitride coating via atomistic study

AR Setoodeh, H Badjian - Materials Research Express, 2017 - iopscience.iop.org
The most stable form of boron nitride polymorph naming hexagonal boron nitride sheet has
recently been widely concerned like graphite due to its interesting features such as electrical …

Thermal stability of single walled SiGe nanotube with vacancy defects: a molecular dynamics simulation study

J Davoodi, M Soleymani, HA Sabet - Silicon, 2018 - Springer
The aim of this investigation was to study thermal properties of perfect and imperfect single-
walled Si-x% Ge (atomic percentages) armchair nanotubes. We have performed molecular …