Molecular Dynamics and Phase Transition in One-Dimensional Crystal of C60 Encapsulated Inside Single Wall Carbon Nanotubes

ACS Nano ◽  
2009 ◽  
Vol 3 (12) ◽  
pp. 3878-3883 ◽  
Author(s):  
E. Abou-Hamad ◽  
Y. Kim ◽  
T. Wågberg ◽  
D. Boesch ◽  
S. Aloni ◽  
...  
Keyword(s):  
Phase Transition ◽  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Single Wall Carbon Nanotubes ◽  
Single Wall Carbon ◽  
One Dimensional ◽  
Dimensional Crystal

scholarly journals One‐Dimensional Arsenic Allotropes: Polymerization of Yellow Arsenic Inside Single‐Wall Carbon Nanotubes

2018 ◽  
Vol 57 (36) ◽  
pp. 11649-11653 ◽  
Author(s):  
Martin Hart ◽  
Ji Chen ◽  
Angelos Michaelides ◽  
Andrea Sella ◽  
Milo S. P. Shaffer ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Single Wall Carbon Nanotubes ◽  
Single Wall Carbon ◽  
One Dimensional

Thermal Conductivity of Individual Single-Wall Carbon Nanotubes

2006 ◽  
Vol 129 (6) ◽  
pp. 705-716 ◽  
Author(s):  
Jennifer R. Lukes ◽  
Hongliang Zhong
Keyword(s):  
Experimental Data ◽  
Thermal Conductivity ◽  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Single Wall Carbon Nanotubes ◽  
Heat Current ◽  
Single Wall Carbon ◽  
Simulation Methodology

Despite the significant amount of research on carbon nanotubes, the thermal conductivity of individual single-wall carbon nanotubes has not been well established. To date only a few groups have reported experimental data for these molecules. Existing molecular dynamics simulation results range from several hundred to 6600 W∕m K and existing theoretical predictions range from several dozens to 9500 W∕m K. To clarify the several-order-of-magnitude discrepancy in the literature, this paper utilizes molecular dynamics simulation to systematically examine the thermal conductivity of several individual (10, 10) single-wall carbon nanotubes as a function of length, temperature, boundary conditions and molecular dynamics simulation methodology. Nanotube lengths ranging from 5 nm to 40 nm are investigated. The results indicate that thermal conductivity increases with nanotube length, varying from about 10 W∕m to 375 W∕m K depending on the various simulation conditions. Phonon decay times on the order of hundreds of fs are computed. These times increase linearly with length, indicating ballistic transport in the nanotubes. A simple estimate of speed of sound, which does not require involved calculation of dispersion relations, is presented based on the heat current autocorrelation decay. Agreement with the majority of theoretical/computational literature thermal conductivity data is achieved for the nanotube lengths treated here. Discrepancies in thermal conductivity magnitude with experimental data are primarily attributed to length effects, although simulation methodology, stress, and intermolecular potential may also play a role. Quantum correction of the calculated results reveals thermal conductivity temperature dependence in qualitative agreement with experimental data.

Crystallization under One-Dimensional Confinement in Alumina Nanopores of Poly(trimethylene terephthalate) and Its Composites with Single Wall Carbon Nanotubes

2013 ◽  
Vol 5 (11) ◽  
pp. 5324-5329 ◽  
Author(s):  
Ignacio Martín-Fabiani ◽  
Mari-Cruz García-Gutiérrez ◽  
Daniel R. Rueda ◽  
Amelia Linares ◽  
Jaime J. Hernández ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Single Wall Carbon Nanotubes ◽  
Single Wall Carbon ◽  
One Dimensional ◽  
Trimethylene Terephthalate

High-yield synthesis and one-dimensional structure of C60 encapsulated in single-wall carbon nanotubes

2002 ◽  
Vol 91 (11) ◽  
pp. 9333-9340 ◽  
Author(s):  
Brian W. Smith ◽  
Richard M. Russo ◽  
Satishkumar B. Chikkannanavar ◽  
David E. Luzzi
Keyword(s):  
Carbon Nanotubes ◽  
Dimensional Structure ◽  
High Yield ◽  
Single Wall Carbon Nanotubes ◽  
Single Wall Carbon ◽  
One Dimensional
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