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The following article is Open access

The role of the atomic force function in molecular mechanics simulations for carbon nanostructures

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Published under licence by IOP Publishing Ltd
, , Citation T Pataki and I Zsoldos 2013 IOP Conf. Ser.: Mater. Sci. Eng. 47 012035 DOI 10.1088/1757-899X/47/1/012035

1757-899X/47/1/012035

Abstract

Molecular mechanics studies were performed on structures consisting of Y junctions of carbon nanotubes. Tensile simulations were run on the same structure, wherein atomic force functions of various shape were used. According to the numerical test results the behavior of the structure, the failure site and the failure process could be determined irrespective of the shape of the force function.

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10.1088/1757-899X/47/1/012035