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 …
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 …
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 …
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 …
Molecular dynamics simulations with Tersoff potentials were used to study the response of single crystalline SiC nanotubes under tensile, compressive, torsional, combined tension …
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 …
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 …
In the present study, the buckling behavior of silicon carbide nanotubes (SiCNTs) is investigated employing molecular dynamics (MD) method. The structural properties of …
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 …