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Mechanical Properties Modeling of Carbon Single-Walled Nanotubes: A Finite Element Method

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Abstract:

The use of nanotubes in various applications is still under investigations. Carbon nanotubes (CNTs) have been a research focus for the last decade, due to their extraordinary material properties. One of the challenges is to find proper techniques to predict nanotubes properties. Extensive atomistic modeling and molecular dynamics simulations of CNTs remain computationally challenging, expensive, and limited in scope of application. Continuum-level modeling in its current form is still not sufficient to describe the properties of nanocomposites. The objective here is to develop finite element models for the carbon single-walled nanotubes (SWNTs) properties in the tube coordinate system. Hence, the in-plane properties of the carbon sheet (CS) for effective Young's moduli and Poisson's ratios are determined. When this sheet is rolled it produces the CNT, and the in-plane properties of the sheet will be the properties of the CNT in the tube coordinate system. Here, the CS is modeled by a network that consists of hexagonal building blocks as unit cells or periodicity cells. The C—C bonds are modeled as rods with equivalent mechanical properties. Then, a periodicity cell is first modeled as a 3-D structure using 3-D solid elements, and its mechanical properties are evaluated and compared to the same 3-D structure using 1-D beam elements. The two models produced similar results. Next, the 3-D structure using 1-D beam elements was adopted and the size of the network was gradually increased to reach the asymptotic values for its effective properties. The asymptotic values were compared with existing experimental and analytical solutions and were found to be in good agreements.

Keywords: CARBON NETWORK; CARBON SINGLE-WALLED NANOTUBE; CARBON UNIT CELL; FINITE ELEMENT MODEL; POISSON'S RATIO; YOUNG'S MODULUS

Document Type: Research Article

DOI: http://dx.doi.org/10.1166/jctn.2005.115

Publication date: June 1, 2005

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  • Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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