Evolution Process of Fault Silica Aerogel under High Temperatures: A Molecular Dynamics Approach

Building fire will seriously threaten human safety. Silica aerogel with low thermal conductivity and thermal stability as fire-retardant material has been widely used in building fireproof structures. However, the natural fragility of silica aerogel will limit its application. In this work, the effects of faults on the thermal stability of silica aerogel are studied by molecular dynamics simulation with large simulation time (20 ns). Additionally, the atomic model of silica aerogel with random faults is built by a straining structure (tensile strains are 10%, 20%, 30%, and 40%). It is found that when the tensile strain is less than 20%, the silica backbone can remain stable. The effects of faults on the thermal stability can be neglected. The silica backbone thermally vibrates during the heating process. However, when the tensile strain is over 30%, it is observed that the faults will enhance the silica backbone merging. Silica aerogel can be stable under 800 K. It is believed that the results of this study will pave the way for the development of fireproof materials.