Elastic and melting properties of crystalline SiC nanotubes

RL Zhou, L Wang, BC Pan - The Journal of Physical Chemistry C, 2010 - ACS Publications
In this paper, the elastic and melting properties of single-crystal SiC nanotubes were
investigated with the help of molecular dynamics simulation based on the Tersoff bond-order …

Melting of single-walled silicon carbide nanotubes: density functional molecular dynamics simulation

W Sheng-Jie, Z Chun-Lai, W Zhi-Guo - Chinese Physics Letters, 2010 - iopscience.iop.org
Density functional molecular dynamics are used to study the melting behavior of single-
walled SiC nanotubes. The melting of SiC nanotubes starts from the thermally activated …

Molecular dynamics simulations of diameter dependence tensile behavior of silicon carbide nanotubes

H Pan, X Si - Physica B: Condensed Matter, 2009 - Elsevier
Molecular dynamics simulations with Tersoff potentials were used to study the response of
single crystalline SiC nanotubes under tensile strain. The results show that the nanotubes …

Structural transitions and electronic properties of the ultrathin SiC nanotubes under uniaxial compression

X Wang, B Wang, J Zhao, G Wang - Chemical Physics Letters, 2008 - Elsevier
We report a structural transformation from zigzag to armchair in ultrathin SiC nanotubes
under uniaxial compression. Our density functional theory calculations also reveal that an …

A first-principles study of the size-dependent electronic properties of SiC nanotubes

WH Zhang, FC Zhang, ZY Zhang, SY Lu… - Science China Physics …, 2010 - Springer
We investigate the structural and electronic properties of SiC nanotubes (NTs) with
hexagonal cross sections by a first-principles calculation using plane-wave ultra-soft pseudo …

Nanomechanical behavior of single crystalline SiC nanotubes revealed by molecular dynamics simulations

Z Wang, X Zu, F Gao, WJ Weber - Journal of Applied Physics, 2008 - pubs.aip.org
Molecular dynamics simulations with Tersoff potentials were used to study the response of
single crystalline SiC nanotubes under tensile, compressive, torsional, combined tension …

Tuning structural and electronic properties of single-walled SiC nanotubes

Z Afshoon, T Movlarooy - silicon, 2023 - Springer
The structural and electronic characteristics of the zigzag and armchair single-walled SiC
nanotubes have been considered based on density functional theory (DFT). We have …

First-principles study of faceted single-crystalline silicon carbide nanowires and nanotubes

Z Wang, M Zhao, T He, X Zhang, Z Xi… - The Journal of …, 2009 - ACS Publications
The energetics and atomic and electronic structures of silicon carbide (SiC) nanowires
(NWs) and nanotubes (NTs) with radii ranging from 0.45 to 2.9 nm are investigated using …

Atomistic simulations of the buckling behavior of perfect and defective silicon carbide nanotubes

AR Setoodeh, M Jahanshahi, H Attariani - Computational materials science, 2009 - Elsevier
In the present study, the buckling behavior of silicon carbide nanotubes (SiCNTs) is
investigated employing molecular dynamics (MD) method. The structural properties of …

RETRACTED ARTICLE: MD simulations on the melting and compression of C, SiC and Si nanotubes

H Shen - Journal of materials science, 2007 - Springer
By the Tersoff potential based molecular dynamics (MD) method, the melting and axial
compression of the (5, 5) C, SiC, and Si nanotubes are simulated, and their molecular …