A stochastic algorithm for modeling heat welded random carbon nanotube network

Carbon nanotubes (CNTs) are one of the presents of nanotechnology being investigated due to their extraordinary mechanical, thermal and electrical properties. Carbon nanotube networks feed the idea that CNTs can be used as the building blocks of new advanced materials utilizing the superior characteristics of CNTs. In this way, nanoscale features of CNTs can be scaled up to even continuum proportions. In this study, 2-D and 3-D CNT network generation methods are introduced by which the geometrical parameters, such as CNT length, chirality, intersection angle and junctional density, can be controlled and a random CNT network is obtained. Then, molecular dynamics (MD) simulations are used to create covalent bonds between intersecting CNTs, which allow the investigation of the mechanical, thermal and electrical properties of random CNT networks.