Molecular dynamics study of electron irradiation effects on mechanical properties of carbon nanotubes

• Published in: Microelectronic engineering Vol. 107; pp. 50 - 53
• Main Authors: Tada, Kazuhiro, Yasuda, Masaaki, Mitsueda, Takaaki, Honda, Ryota, Kawata, Hiroaki, Hirai, Yoshihiko
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 01.07.2013; Elsevier
• Subjects: Applied sciences; Carbon nanotube; Compression; Computer simulation; Condensed matter: structure, mechanical and thermal properties; Cross-disciplinary physics: materials science; rheology; Deformation and plasticity (including yield, ductility, and superplasticity); Electron irradiation; Electrons and positron radiation effects; Exact sciences and technology; Fractures; Irradiation; Materials science; Mechanical and acoustical properties of condensed matter; Mechanical properties; Mechanical properties and methods of testing. Rheology. Fracture mechanics. Tribology; Mechanical properties of solids; Metals. Metallurgy; Molecular dynamics; Nanocomposites; Nanomaterials; Nanoscale materials and structures: fabrication and characterization; Nanostructure; Nanotubes; Physical radiation effects, radiation damage; Physics; Structure of solids and liquids; crystallography; Tension; Torsion; Carbon nanotube; Molecular dynamics; Compression; Tension; Electron irradiation; Torsion; Radiation effects; Amorphous material; Mechanical strength; Digital simulation; Molecular dynamics method; Carbon nanotubes; Mechanical properties; High temperature; Cylindrical shape; Degradation; Dangling bonds; Monte Carlo methods; Singlewalled nanotube; Robustness; Damage
• ISSN: 0167-9317; 1873-5568
• DOI: 10.1016/j.mee.2013.03.009

•We investigate electron irradiation effects on mechanical properties of carbon nanotubes.•Electron irradiation effect is introduced using Monte Carlo method.•The nanotube irradiated at high temperature maintains the shape of the cylinder.•The nanotube irradiated at high temperature maintains its mechanical strength. Molecular dynamics simulations are carried out to investigate electron irradiation effects on mechanical properties of single-walled carbon nanotubes. Electron irradiation effects are introduced by the Monte Carlo method using the elastic collision cross section. After the irradiation, the mechanical properties, such as tensile, compressive and torsional properties, are investigated. The degradation of the mechanical strength of the nanotube irradiated at higher temperature is reduced. The simulation reveals that the recombinations of dangling bonds during irradiation and the formation of amorphous network along the cylindrical shape are the key mechanism of the robustness of the nanotubes during electron irradiation at high temperature.