Prediction of Mechanical Properties of Epoxy/Carbon Nanotube Composite. Prediction of Mechanical Properties of Epoxy/Carbon Nanotubes composites using Molecular Dynamics Simulation

      Аннотация: A nanomaterial of particular interest is the carbon nanotube (CNT), due to its enhanced physical properties. In addition to varied electrical properties, the CNT has demonstrated high thermal conductivity and tensile strength compared to conventional fiber materials. Nanotubes (CNTs) are promising additives to polymeric materials due to the potential for their enhancement of the structural, mechanical and electronic properties of the resulting composite. Molecular dynamics simulations generate information at the microscopic level, including atomistic positions and velocities. This book consists of Molecular Dynamics (MD) simulations carried out in Material Studio 7.0 to find the molecular interaction between the MWNT/F-MWNT and Epon 862(Diglycidyl Ether of Bisphenol F) and DETDA (diethyltoluenediamine) curing agent molecules. MWNT was interacted with Epon 862 and DETDA and interaction energy was calculated. Further the MWNT was functionalized with Hydroxy, Amine and Epoxy group on outer wall of Nanotube to predict the Mechanical Properties

Ключевые слова: Carbon Nanotubes, molecular dynamics, Functionalized Carbon Nanotubes