NDLI: The Unravelling of Open-Ended Single Walled Carbon Nanotubes Using Molecular Dynamics Simulations

Content Provider	The American Society of Mechanical Engineers (ASME) Digital Collection
Author	Ragab, Tarek Basaran, Cemal
Copyright Year	2011
Abstract	The unravelling of (10, 10) and (18, 0) single-walled carbon nanotubes (SWCNTs) is simulated using molecular dynamics simulations at different temperatures. Two different schemes are proposed to simulate the unravelling; completely restraining the last atom in the chain and only restraining it in the axial direction. The forces on the terminal atom in the unravelled chain in the axial and radial directions are reported till the separation of the atomic chain from the carbon nanotube structure. The force-displacement relation for a chain structure at different temperatures is calculated and is compared to the unravelling forces. The axial stresses in the body of the carbon nanotube are calculated and are compared to the failure stresses of that specific nanotube. Results show that the scheme used to unravel the nanotube and the temperature can only effect the duration needed before the separation of some or all of the atomic chain from the nanotube, but does not affect the unravelling forces. The separation of the atomic chain from the nanotube is mainly due to the impulsive excessive stresses in the chain due to the addition of a new atom and rarely due to the steady stresses in the chain. From the simulations, it is clear that the separation of the chain will eventually happen due to the closing structure occurring at the end of the nanotube that would not be possible in multiwalled nanotubes.
Starting Page	020903
Ending Page	020907
Page Count	5
File Format	PDF
ISSN	10437398
e-ISSN	15289044
Journal	Journal of Electronic Packaging
Volume Number	133
Issue Number	2
DOI	10.1115/1.4003866
Language	English
Publisher	The American Society of Mechanical Engineers
Publisher Date	2011-06-07
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Atoms Carbon Carbon nanotubes Chain Displacement Engineering simulation Failure Force Molecular dynamics simulation Nanotubes Single-walled carbon nanotubes Stress Temperature
Content Type	Text
Resource Type	Article
Subject	Electrical and Electronic Engineering Computer Science Applications Mechanics of Materials Electronic, Optical and Magnetic Materials

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

Cohesive Zone Model for the Interface of Multiwalled Carbon Nanotubes and Copper: Molecular Dynamics Simulation

Interfacial Strength Between Single Wall Carbon Nanotubes and Copper Material: Molecular Dynamics Simulation

Molecular Dynamics Study on Thermal Conductivity of Single-Walled Carbon Nanotubes

Mechanics of carbon nanotubes

Tribological Behavior of Aligned Single-Walled Carbon Nanotubes

Analysis of Crack Propagation in Fixed-Free Single-Walled Carbon Nanotube Under Tensile Loading Using XFEM

Coupling of Extension and Twist in Single-Walled Carbon Nanotubes

Atomistic Simulations of Mechanical Properties of Circular and Collapsed Carbon Nanotubes With Covalent Cross-Links

Hydrogen Transport in Single-Walled Carbon Nanotube by Molecular Dynamics Simulation

The Unravelling of Open-Ended Single Walled Carbon Nanotubes Using Molecular Dynamics Simulations

Similar Documents

Cohesive Zone Model for the Interface of Multiwalled Carbon Nanotubes and Copper: Molecular Dynamics Simulation

Interfacial Strength Between Single Wall Carbon Nanotubes and Copper Material: Molecular Dynamics Simulation

Molecular Dynamics Study on Thermal Conductivity of Single-Walled Carbon Nanotubes

Mechanics of carbon nanotubes

Tribological Behavior of Aligned Single-Walled Carbon Nanotubes

Analysis of Crack Propagation in Fixed-Free Single-Walled Carbon Nanotube Under Tensile Loading Using XFEM

Coupling of Extension and Twist in Single-Walled Carbon Nanotubes

Atomistic Simulations of Mechanical Properties of Circular and Collapsed Carbon Nanotubes With Covalent Cross-Links

Hydrogen Transport in Single-Walled Carbon Nanotube by Molecular Dynamics Simulation

The Unravelling of Open-Ended Single Walled Carbon Nanotubes Using Molecular Dynamics Simulations