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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Molecular Dynamics Simulations of Stretching, Twisting and Fracture of Super Carbon Nanotubes with Different Chiralities: Towards Smart Porous and Flexible Scaffolds

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Author(s):
Coluci, Vitor R. [1] ; Pugno, Nicola M. [2]
Total Authors: 2
Affiliation:
[1] Univ Estadual Campinas, Sch Technol, BR-13484332 Limeira, SP - Brazil
[2] Politecn Torino, Dept Struct Engn, Lab Bioinspired Nanomech Giuseppe Maria Pugno, I-10129 Turin - Italy
Total Affiliations: 2
Document type: Journal article
Source: JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE; v. 7, n. 7, SI, p. 1294-1298, JUL 2010.
Web of Science Citations: 8
Abstract

The mechanical properties of ordered single walled carbon nanotube networks in tubular forms (super carbon nanotubes-STs) are investigated using classical molecular dynamics simulations based on reactive empirical bond-order potential. During tensile deformations the shape and size of pores in ST sidewalls can be modified providing a way to vary the accessible channels to and from the inner parts of STs. The investigated STs presented values of fracture toughness, fracture energy, and dissipated energy that are about 5, 8, and 2 times smaller than the ones presented by the constituent (8,0) single walled carbon nanotube, respectively. Simulations indicate that these networks are also very flexible under torsional loads, mainly zigzag STs. Based on the predicted mechanical properties, STs may represent new candidates for novel porous, flexible, and high strength nanomaterials, e.g., smart porous and flexible scaffolds for the regenerative medicine. (AU)

FAPESP's process: 07/03923-1 - Investigation of carbon nanotube networks using computational simulation
Grantee:Vitor Rafael Coluci
Support type: Research Grants - Young Investigators Grants