Silica Aerogels: A Review of Molecular Dynamics Modelling and Characterization of the Structural, Thermal, and Mechanical Properties

https://doi.org/10.1007/978-3-319-50257-1_83-1 The second volume of the Handbook of Materials Modeling is now online: We reviewed the development of new empirical molecular dynamics forcefields, novel methods of generating aerogels’ percolated backbones, and compelling algorithms for characterizing their structural, mechanical, and thermal properties that have resulted in unprecedented insights into silica aerogels. These developments will drive the eventual creation of a comprehensive set of multiscale modeling platforms which can minimize the trials and errors during experimental synthesis and even bring silica aerogels into the fold of the materials-by-design paradigm.