Supporting data for impact of filler composition on mechanical and dynamic response of 3-D printed silicone-based nanocomposite elastomers

This research reports on the physical and mechanical effects of various filler materials used in direct ink write (DIW) 3-D printing resins. The data reported herein supports interpretation and discussion provided in the research article “Impact of Filler Composition on Mechanical and Dynamic Response of 3-D Printed Silicone-based Nanocomposite Elastomers” [1]. The datasheet describes the model structures and the interaction energies between the fillers and the other components by using Molecular Dynamics (MD) simulations. This report includes mechanical responses of single-cubic (SC) and face-centered tetragonal (FCT) structures printed using new DIW resin formulations (polydimethylsiloxane-based silicones filled with aluminum oxide, graphite, or titanium dioxide). Using MD simulations and mechanical data, the overall flexibility and interactions between resin components are fully characterized.