I want to study molecular dynamics simulation of the viscoelasticity of polymer nanocomposites under
oscillatory shear using Materials studio. Viscoelastic behavior of a polymer-based nanocomposite displays the energy storage and damping capabilities of the nanocomposite. For executing DMA (dynamic mechanical analyser) like tests, i want to apply a sinusoidal strain to a side of cell in tension and shear modes and then i want to measure tensile and shear stresses for calculating storage modulus (E′) and loss modulus (E″). Basically I want to do dynamic mechanical analysis of graphene-based thermoplastic polyurethane nano composites by molecular dynamics simulation using BIOVIA MATERIALS STUDIO 2017. Kindly share some simulation steps/procedure/ reference papers.

Animesh Talapatra, Research Scholar, IIEST, Shibpur, India