Rotation dynamics of double-walled carbon nanotube bundles during in-plane compressive deformation

Byeonghwa Goh; Joonmyung Choi

doi:10.1007/s11071-024-09938-5

Rotation dynamics of double-walled carbon nanotube bundles during in-plane compressive deformation

Byeonghwa Goh
, Joonmyung Choi

Hanyang University

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

The nonlinear rotational behavior of radially deformed double-walled carbon nanotube (DWCNT) bundles is investigated using all-atom molecular dynamics simulations. Results show that the hexagonal packing and transverse collapse of the DWCNTs decelerates the rotating carbon nanotubes (CNTs) or even reverses the rotation direction. The increase in the line-edge roughness and compressive normal pressure between the CNTs act as a brake pad to decrease the linear speed of the rotating CNTs. The maximum breaking power exerted by structural deformation is characterized by the diameters of the DWCNTs and their instantaneous angular velocities. The proposed brake pad model presents a classical yet fundamental mechanism for directly engineering chaotic rotational dynamics in multibody nanosystems.

Original language	English
Pages (from-to)	16837-16846
Number of pages	10
Journal	Nonlinear Dynamics
Volume	112
Issue number	19
DOIs	https://doi.org/10.1007/s11071-024-09938-5
State	Published - Oct 2024
Externally published	Yes

Keywords

Double-walled carbon nanotube
Mechanical modeling
Molecular dynamics simulation
Rotation dynamics
Structural deformation

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10.1007/s11071-024-09938-5

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title = "Rotation dynamics of double-walled carbon nanotube bundles during in-plane compressive deformation",

abstract = "The nonlinear rotational behavior of radially deformed double-walled carbon nanotube (DWCNT) bundles is investigated using all-atom molecular dynamics simulations. Results show that the hexagonal packing and transverse collapse of the DWCNTs decelerates the rotating carbon nanotubes (CNTs) or even reverses the rotation direction. The increase in the line-edge roughness and compressive normal pressure between the CNTs act as a brake pad to decrease the linear speed of the rotating CNTs. The maximum breaking power exerted by structural deformation is characterized by the diameters of the DWCNTs and their instantaneous angular velocities. The proposed brake pad model presents a classical yet fundamental mechanism for directly engineering chaotic rotational dynamics in multibody nanosystems.",

keywords = "Double-walled carbon nanotube, Mechanical modeling, Molecular dynamics simulation, Rotation dynamics, Structural deformation",

author = "Byeonghwa Goh and Joonmyung Choi",

note = "Publisher Copyright: {\textcopyright} The Author(s), under exclusive licence to Springer Nature B.V. 2024.",

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T1 - Rotation dynamics of double-walled carbon nanotube bundles during in-plane compressive deformation

AU - Goh, Byeonghwa

AU - Choi, Joonmyung

N1 - Publisher Copyright: © The Author(s), under exclusive licence to Springer Nature B.V. 2024.

PY - 2024/10

Y1 - 2024/10

N2 - The nonlinear rotational behavior of radially deformed double-walled carbon nanotube (DWCNT) bundles is investigated using all-atom molecular dynamics simulations. Results show that the hexagonal packing and transverse collapse of the DWCNTs decelerates the rotating carbon nanotubes (CNTs) or even reverses the rotation direction. The increase in the line-edge roughness and compressive normal pressure between the CNTs act as a brake pad to decrease the linear speed of the rotating CNTs. The maximum breaking power exerted by structural deformation is characterized by the diameters of the DWCNTs and their instantaneous angular velocities. The proposed brake pad model presents a classical yet fundamental mechanism for directly engineering chaotic rotational dynamics in multibody nanosystems.

AB - The nonlinear rotational behavior of radially deformed double-walled carbon nanotube (DWCNT) bundles is investigated using all-atom molecular dynamics simulations. Results show that the hexagonal packing and transverse collapse of the DWCNTs decelerates the rotating carbon nanotubes (CNTs) or even reverses the rotation direction. The increase in the line-edge roughness and compressive normal pressure between the CNTs act as a brake pad to decrease the linear speed of the rotating CNTs. The maximum breaking power exerted by structural deformation is characterized by the diameters of the DWCNTs and their instantaneous angular velocities. The proposed brake pad model presents a classical yet fundamental mechanism for directly engineering chaotic rotational dynamics in multibody nanosystems.

KW - Double-walled carbon nanotube

KW - Mechanical modeling

KW - Molecular dynamics simulation

KW - Rotation dynamics

KW - Structural deformation

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SP - 16837

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JO - Nonlinear Dynamics

JF - Nonlinear Dynamics

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ER -

Rotation dynamics of double-walled carbon nanotube bundles during in-plane compressive deformation

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Keywords

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