Preparation of nanoporous systems for the study of the mechanical properties of silica aerogels by Molecular Dynamics simulations

This presentation focuses on the application of the Molecular Dynamics technique to study the mechanical properties of silica aerogels through the simulation of a tension test. It covers multiple areas, including aspects related to the preparation of a well-relaxed nanoporous system from the expansion of an amorphous bulk sample and the influence of the initial configuration of the system on the final results of the simulated tension test. The results presented here will help to develop a more complete procedure to prepare a proper sample for the study of the mechanical properties of a nanoporous system by using Molecular Dynamics. Comparison of the simulation results and previously published experimental data is provided