The role of the atomic force function in molecular mechanics simulations for carbon nanostructures
Publication Name: Iop Conference Series Materials Science and Engineering
Publication Date: 2013-12-01
Volume: 47
Issue: 1
Page Range: Unknown
Description:
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. © Published under licence by IOP Publishing Ltd.
Open Access: Yes