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

T Pataki, I Zsoldos
2013 IOP Conference Series: Materials Science and Engineering  
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.
doi:10.1088/1757-899x/47/1/012035 fatcat:3bltj3k3i5a3piyxvbpwrq47ai