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cond-mat2003
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…
cond-mat2003
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…