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Computer simulation of the fracture of carbon nanotubes in a hydrogen environment
- Source :
- ResearcherID, Scopus-Elsevier
- Publication Year :
- 2002
- Publisher :
- Informa UK Limited, 2002.
-
Abstract
- Molecular dynamics simulations have been performed to study the mechanical properties of armchair-type single-walled and multiple-walled carbon nanotubes under tensile loading with and without hydrogen storage. Advanced bond order potentials were used in the simulations. Hydrogen molecules stored inside or outside nanotubes reduced the fracture strength of nanotubes. During the deformation, some C-C bonds were broken and reconstructed. If hydrogen. molecules were around, hydrogen atoms would compete with the carbon atoms, to form the H-C bonds, which reduces the mechanical strength of nanotubes. Such detrimental effect of hydrogen is enhanced if the curvature of the tubes is increased, or if hydrogen is stored in a multiple-walled carbon nanotube.
- Subjects :
- chemistry.chemical_classification
Physics and Astronomy (miscellaneous)
Hydrogen
Chemistry
Cryo-adsorption
Metals and Alloys
chemistry.chemical_element
Mechanical properties of carbon nanotubes
Carbon nanotube
Condensed Matter::Mesoscopic Systems and Quantum Hall Effect
Condensed Matter Physics
Electronic, Optical and Magnetic Materials
law.invention
Condensed Matter::Materials Science
Hydrogen storage
law
Carbon–carbon bond
Forensic engineering
General Materials Science
Physics::Atomic Physics
Composite material
Carbon
Hydrogen embrittlement
Subjects
Details
- ISSN :
- 14606992 and 01418610
- Volume :
- 82
- Database :
- OpenAIRE
- Journal :
- Philosophical Magazine A
- Accession number :
- edsair.doi.dedup.....e04727f62228bae52d443d21628b0b61