scholarly journals B and N ion implantation into carbon nanotubes: Insight from atomistic simulations

2005 ◽  
Vol 71 (20) ◽  
Author(s):  
J. Kotakoski ◽  
A. V. Krasheninnikov ◽  
Yuchen Ma ◽  
A. S. Foster ◽  
K. Nordlund ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Ion Implantation ◽  
Atomistic Simulations

Mechanical and Tribological Properties of Carbon Nanotubes Investigated with Atomistic Simulations

2000 ◽  
Vol 633 ◽  
Author(s):  
Boris Ni ◽  
Susan B. Sinnott
Keyword(s):  
Carbon Nanotubes ◽  
Atomistic Simulations ◽  
Many Body ◽  
Jones Potential ◽  
Diamond Surfaces ◽  
Empirical Potential ◽  
Mechanical And Tribological Properties ◽  
Lennard Jones ◽  
Walled Carbon Nanotubes ◽  
Nanotube Bundle

AbstractAtomistic simulations are used to better understand the behavior of bundles of single- walled carbon nanotubes that have been placed between two sliding diamond surfaces. A many-body reactive empirical potential for hydrocarbons that has been coupled to a Lennard-Jones potential is used to determine the energies and forces for all the atoms in the simulations. The results indicate that the degree of compression of the nanotube bundle between the nanotubes has a significant effect on the responses of the nanotubes to shear forces. However, no rolling of the nanotubes is predicted in contrast to previous studies of individual nanotubes moving on graphite.

Ion implantation effect on Resonance Raman spectroscopy of double-wall carbon nanotubes

2010 ◽  
Author(s):  
E. C. Moreira ◽  
G. D. Saraiva ◽  
A. G. Souza Filho ◽  
G. Braunstein ◽  
H. Muramatsu ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Raman Spectroscopy ◽  
Ion Implantation ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
Double Wall

Atomistic Simulations with Carbon Nanotubes - Classical, Quantum, and Transport Modeling

2002 ◽  
Vol 233 (1) ◽  
pp. 49-58 ◽  
Author(s):  
A. Maiti ◽  
J. Andzelm ◽  
A. Svizhenko ◽  
M.P. Anantram ◽  
M. in het Panhuis
Keyword(s):  
Carbon Nanotubes ◽  
Transport Modeling ◽  
Atomistic Simulations ◽  
Classical Quantum

Understanding ion beam synthesis of nanostructures: Modeling and atomistic simulations

2000 ◽  
Vol 647 ◽  
Author(s):  
M. Strobel ◽  
K.-H. Heinig ◽  
W. Möller
Keyword(s):  
Ion Implantation ◽  
Ion Beam ◽  
Monte Carlo Model ◽  
Atomistic Simulations ◽  
Ion Energy ◽  
Lattice Monte Carlo ◽  
Supersaturated Solid Solutions ◽  
Ion Beam Synthesis ◽  
Thermodynamic Effects ◽  
Low Dimensional

AbstractIon implantation, specified by parameters like ion energy, ion fluence, ion flux and sub-strate temperature, has become a well-established tool to synthesize buried low-dimensional nanostructures. In general, in ion beam synthesis the evolution of nanostructures is determined by the competition between ballistic and thermodynamic effects. A kinetic 3D lattice Monte-Carlo model is introduced, which allows for a proper incorporation of collisional mixing and phase separation within supersaturated solid-solutions. It is shown, that for both the ballistically and thermodynamically dominated regimes, the Gibbs-Thomson relation is the key ingredient in understanding nanocluster evolution. Various aspects of precipitate evolution during implantation, formation of ordered arrays of nanophase domains by focused ion implantation and compound nanocluster synthesis are discussed.

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