86 citations · 147 across the 8 of their papers we have counts for
8 papers
Vacancy induced energy band gap changes of semiconducting zigzag single walled carbon nanotubes
G. Dereli, O. Eyecioglu, B. Sungu Misirlioglu
In this work, we have examined how the multi-vacancy defects induced in the horizontal direction change the energetics and the electronic structure of semiconducting Single-Walled…
A new lower limit for the bond breaking strains of defect-free carbon nanotubes: Tight binding MD simulation study
Gulay Dereli, Banu Sungu Misirlioglu, Onder Eyecioglu +1
The Order (N) Tight Binding Molecular Dynamics (TBMD) algorithms applied to simulate the tensile elongations of short (2-2.5 nm) armchair and zigzag Single Walled Carbon Nanotubes…
Thermal Stability of Metallic Single-Walled Carbon Nanotubes: An O(N) Tight-Binding Molecular Dynamics Simulation Study
G. Dereli, B. Sungu, C. Ozdogan
Order(N) Tight-Binding Molecular Dynamics (TBMD) simulations are performed to investigate the thermal stability of (10,10) metallic Single-Walled Carbon Nanotubes (SWCNT). Periodic…
Temperature Dependence of the Tensile Properties of Single Walled Carbon Nanotubes: O(N) Tight Binding MD Simulation
G. Dereli, B. Sungu
This paper examines the effect of temperature on the structural stability and mechanical properties of 20 layered (10,10) single walled carbon nanotubes (SWCNTs) under tensile load…
Structural stability and energetics of single-walled carbon nanotubes under uniaxial strain
G. Dereli, C. Ozdogan
A (10x10) single-walled carbon nanotube consisting of 400 atoms with 20 layers is simulated under tensile loading using our developed O(N) parallel tight-binding molecular-dynamics…
O(N) algorithms in tight-binding molecular-dynamics simulations of the electronic structure of carbon nanotubes
G. Dereli, C. Ozdogan
The O(N) and parallelization techniques have been successfully applied in tight-binding molecular-dynamics simulations of single-walled carbon nanotubes (SWNTs) of various chiralit…