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Type: Artigo de periódico
Title: Neon atoms oscillating inside carbon and boron nitride nanotubes: a fully atomistic molecular dynamics investigation
Author: Garcez, KM
Moreira, E
Azevedo, DL
Galvao, DS
Abstract: In the present work, based on extensive fully atomistic molecular dynamics simulations, we discuss the dynamics of neon atoms oscillating inside (5,5) single-walled carbon nanotubes (CNTs) and boron nitride nanotubes (BNNTs). Our results show that sustained high-frequency oscillatory regimes are possible for a large range of temperatures. Our results also show that the general features of the oscillations are quite similar to those observed in CNT and BNNT, in contrast with some speculations in previous works in the literature about the importance of broken symmetry and chirality exhibited by BNNTs.
Subject: nanotubes
molecular dynamics
Country: Inglaterra
Editor: Taylor & Francis Ltd
Citation: Molecular Simulation. Taylor & Francis Ltd, v. 36, n. 9, n. 639, n. 643, 2010.
Rights: fechado
Identifier DOI: 10.1080/08927020903463926
Date Issue: 2010
Appears in Collections:Unicamp - Artigos e Outros Documentos

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