1.
SB Legoas LD Machado, JS Soares
Dynamics of the formation of carbon nanotube serpentines Journal Article
In: Physical Review Letters, vol. 110, no. 10, pp. 105502, 2013.
@article{machado2013dynamics,
title = {Dynamics of the formation of carbon nanotube serpentines},
author = {LD Machado, SB Legoas, JS Soares, N Shadmi, A Jorio, E Joselevich, DS Galvão},
url = {http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.110.105502},
year = {2013},
date = {2013-01-01},
journal = {Physical Review Letters},
volume = {110},
number = {10},
pages = {105502},
publisher = {American Physical Society},
abstract = {Recently, Geblinger et al. [Nat. Nanotechnol. 3, 195 (2008)] reported the experimental realization of carbon nanotube S-like shaped nanostructures, the so-called carbon nanotube serpentines. We report here results from multimillion fully atomistic molecular dynamics simulations of their formation. We consider one-μm-long carbon nanotubes placed on stepped substrates with and without a catalyst nanoparticle on the top free end of the tube. A force is applied to the upper part of the tube during a short period of time and turned off; then the system is set free to evolve in time. Our results show that these conditions are sufficient to form robust serpentines and validates the general features of the “falling spaghetti model” proposed to explain their formation.
},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Recently, Geblinger et al. [Nat. Nanotechnol. 3, 195 (2008)] reported the experimental realization of carbon nanotube S-like shaped nanostructures, the so-called carbon nanotube serpentines. We report here results from multimillion fully atomistic molecular dynamics simulations of their formation. We consider one-μm-long carbon nanotubes placed on stepped substrates with and without a catalyst nanoparticle on the top free end of the tube. A force is applied to the upper part of the tube during a short period of time and turned off; then the system is set free to evolve in time. Our results show that these conditions are sufficient to form robust serpentines and validates the general features of the “falling spaghetti model” proposed to explain their formation.
2.
Machado, Leonardo D; Legoas, Sergio B; Soares, Jaqueline S; Shadmi, Nitzan; Jorio, Ado; Joselevich, Ernesto; Galvao, Douglas S
Cambridge University Press, vol. 1284, 2011.
@proceedings{machado2011formation,
title = {On the formation of carbon nanotube serpentines: insights from multi-million atom molecular dynamics simulation},
author = {Machado, Leonardo D and Legoas, Sergio B and Soares, Jaqueline S and Shadmi, Nitzan and Jorio, Ado and Joselevich, Ernesto and Galvao, Douglas S},
url = {http://journals.cambridge.org/action/displayAbstract?fromPage=online&aid=8194288&fileId=S194642741100220X},
year = {2011},
date = {2011-01-01},
journal = {MRS Proceedings},
volume = {1284},
pages = {mrsf10--1284},
publisher = {Cambridge University Press},
abstract = {In this work we present preliminary results from molecular dynamics simulations for carbon nanotubes serpentine dynamics formation. These S-like nanostructures consist of a series of parallel and straight nanotube segments connected by alternating U-turn shaped curves. Nanotube serpentines were experimentally synthesized and reported in recent years, but up to now no atomistic simulations have been carried out to address the dynamics of formation of these structures. We have carried out fully atomistic molecular dynamics simulations in the framework of classical mechanics with a standard molecular force field. Multi-million atoms structures formed by stepped substrates with a carbon nanotube (about 1 micron in length) placed on top of them have been considered in our simulations. A force is applied to the upper part of the tube during a short period of time and then turned off and the system set free to evolve in time. Our results showed that these conditions are sufficient to form robust serpentines and validate the general features of the ‘falling spaghetti mechanism’ previously proposed to explain their formation.},
keywords = {},
pubstate = {published},
tppubtype = {proceedings}
}
In this work we present preliminary results from molecular dynamics simulations for carbon nanotubes serpentine dynamics formation. These S-like nanostructures consist of a series of parallel and straight nanotube segments connected by alternating U-turn shaped curves. Nanotube serpentines were experimentally synthesized and reported in recent years, but up to now no atomistic simulations have been carried out to address the dynamics of formation of these structures. We have carried out fully atomistic molecular dynamics simulations in the framework of classical mechanics with a standard molecular force field. Multi-million atoms structures formed by stepped substrates with a carbon nanotube (about 1 micron in length) placed on top of them have been considered in our simulations. A force is applied to the upper part of the tube during a short period of time and then turned off and the system set free to evolve in time. Our results showed that these conditions are sufficient to form robust serpentines and validate the general features of the ‘falling spaghetti mechanism’ previously proposed to explain their formation.
2013
2.
SB Legoas LD Machado, JS Soares
Dynamics of the formation of carbon nanotube serpentines Journal Article
In: Physical Review Letters, vol. 110, no. 10, pp. 105502, 2013.
Abstract | Links | BibTeX | Tags: Carbon Nanotubes, Molecular Dynamics, Serpentines, top20
@article{machado2013dynamics,
title = {Dynamics of the formation of carbon nanotube serpentines},
author = {LD Machado, SB Legoas, JS Soares, N Shadmi, A Jorio, E Joselevich, DS Galvão},
url = {http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.110.105502},
year = {2013},
date = {2013-01-01},
journal = {Physical Review Letters},
volume = {110},
number = {10},
pages = {105502},
publisher = {American Physical Society},
abstract = {Recently, Geblinger et al. [Nat. Nanotechnol. 3, 195 (2008)] reported the experimental realization of carbon nanotube S-like shaped nanostructures, the so-called carbon nanotube serpentines. We report here results from multimillion fully atomistic molecular dynamics simulations of their formation. We consider one-μm-long carbon nanotubes placed on stepped substrates with and without a catalyst nanoparticle on the top free end of the tube. A force is applied to the upper part of the tube during a short period of time and turned off; then the system is set free to evolve in time. Our results show that these conditions are sufficient to form robust serpentines and validates the general features of the “falling spaghetti model” proposed to explain their formation.
},
keywords = {Carbon Nanotubes, Molecular Dynamics, Serpentines, top20},
pubstate = {published},
tppubtype = {article}
}
Recently, Geblinger et al. [Nat. Nanotechnol. 3, 195 (2008)] reported the experimental realization of carbon nanotube S-like shaped nanostructures, the so-called carbon nanotube serpentines. We report here results from multimillion fully atomistic molecular dynamics simulations of their formation. We consider one-μm-long carbon nanotubes placed on stepped substrates with and without a catalyst nanoparticle on the top free end of the tube. A force is applied to the upper part of the tube during a short period of time and turned off; then the system is set free to evolve in time. Our results show that these conditions are sufficient to form robust serpentines and validates the general features of the “falling spaghetti model” proposed to explain their formation.
2011
1.
Machado, Leonardo D; Legoas, Sergio B; Soares, Jaqueline S; Shadmi, Nitzan; Jorio, Ado; Joselevich, Ernesto; Galvao, Douglas S
Cambridge University Press, vol. 1284, 2011.
Abstract | Links | BibTeX | Tags: Mechanical Properties, Molecular Dynamics, Serpentines
@proceedings{machado2011formation,
title = {On the formation of carbon nanotube serpentines: insights from multi-million atom molecular dynamics simulation},
author = {Machado, Leonardo D and Legoas, Sergio B and Soares, Jaqueline S and Shadmi, Nitzan and Jorio, Ado and Joselevich, Ernesto and Galvao, Douglas S},
url = {http://journals.cambridge.org/action/displayAbstract?fromPage=online&aid=8194288&fileId=S194642741100220X},
year = {2011},
date = {2011-01-01},
journal = {MRS Proceedings},
volume = {1284},
pages = {mrsf10--1284},
publisher = {Cambridge University Press},
abstract = {In this work we present preliminary results from molecular dynamics simulations for carbon nanotubes serpentine dynamics formation. These S-like nanostructures consist of a series of parallel and straight nanotube segments connected by alternating U-turn shaped curves. Nanotube serpentines were experimentally synthesized and reported in recent years, but up to now no atomistic simulations have been carried out to address the dynamics of formation of these structures. We have carried out fully atomistic molecular dynamics simulations in the framework of classical mechanics with a standard molecular force field. Multi-million atoms structures formed by stepped substrates with a carbon nanotube (about 1 micron in length) placed on top of them have been considered in our simulations. A force is applied to the upper part of the tube during a short period of time and then turned off and the system set free to evolve in time. Our results showed that these conditions are sufficient to form robust serpentines and validate the general features of the ‘falling spaghetti mechanism’ previously proposed to explain their formation.},
keywords = {Mechanical Properties, Molecular Dynamics, Serpentines},
pubstate = {published},
tppubtype = {proceedings}
}
In this work we present preliminary results from molecular dynamics simulations for carbon nanotubes serpentine dynamics formation. These S-like nanostructures consist of a series of parallel and straight nanotube segments connected by alternating U-turn shaped curves. Nanotube serpentines were experimentally synthesized and reported in recent years, but up to now no atomistic simulations have been carried out to address the dynamics of formation of these structures. We have carried out fully atomistic molecular dynamics simulations in the framework of classical mechanics with a standard molecular force field. Multi-million atoms structures formed by stepped substrates with a carbon nanotube (about 1 micron in length) placed on top of them have been considered in our simulations. A force is applied to the upper part of the tube during a short period of time and then turned off and the system set free to evolve in time. Our results showed that these conditions are sufficient to form robust serpentines and validate the general features of the ‘falling spaghetti mechanism’ previously proposed to explain their formation.
http://scholar.google.com/citations?hl=en&user=95SvbM8AAAAJ
