T. Pataki
6602667171
Publications - 2
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
Loading simulations of carbon nanotube junctions
Publication Name: Materials Science Forum
Publication Date: 2013-01-01
Volume: 729
Issue: Unknown
Page Range: 162-168
Description:
Weakest points of carbon nanotube junctions have been determined by molecular mechanical algorithms. This algorithm is based on the application of the so-called Brenner potential function, atomic forces are calculated from the derivatives of the potential function describing the energetics. Behavior of various types of symmetric Y-junctions is studied with respect to axial tensile load. © (2013) Trans Tech Publications, Switzerland.
Open Access: Yes
