Mechanical properties of carbon nanotube by molecular dynamics simulation

The mechanical properties of single-walled carbon nanotube (SWCNT) are computed and simulated by using molecular dynamics (MD) in this paper. From the MD simulation for an armchair SWCNT whose diameter is 1.2 nm and length is 4.7 nm, we get that its Young modulus is 3.62 TPa, and tensile strength is...

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Bibliographic Details
Published in:Computational materials science 2001-12, Vol.22 (3), p.180-184
Main Authors: Yao, Zhenhua, Zhu, Chang-Chun, Cheng, Min, Liu, Junhua
Format: Article
Language:English
Subjects:
Carbon nanotube
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
Mechanical and acoustical properties of condensed matter
Mechanical properties of nanoscale materials
Molecular dynamics
Physics
Young modulus
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Summary:The mechanical properties of single-walled carbon nanotube (SWCNT) are computed and simulated by using molecular dynamics (MD) in this paper. From the MD simulation for an armchair SWCNT whose diameter is 1.2 nm and length is 4.7 nm, we get that its Young modulus is 3.62 TPa, and tensile strength is 9.6 GPa. It is shown that the Young modulus and tensile strength of armchair SWCNTs are 1∼2 order higher than those of ordinary metal materials. Therefore we can draw a conclusion that carbon nanotubes (CNT) belong to a particular material with excellent mechanical properties.
ISSN:0927-0256
1879-0801
DOI:10.1016/S0927-0256(01)00187-2