The effect of initial temperature on the mechanical properties of paraffin-reinforced silica aerogel using molecular dynamics simulation: Application in semi-transparent roofs, electric vehicles and building insulation

Abstract

Aerogels are formed from a lattice of interconnected nanoparticles with a nanometer space between them. These nanostructured materials, with very low density and high specific surfaces, show exceptional properties, so their applications in various fields are expanding. In the present study, the mechanical behavior of paraffin-reinforced silica aerogel was examined by the change in the stress-strain curve, ultimate strength (US), and Young's modulus (YM) at different initial temperatures of 300, 310, 320, 330, and 350 K by MD and LAMMPS. It is revealed that rising the initial temperature can affect the silica aerogel's mechanical properties and impair the structure's mechanical strength. By increasing the initial temperature from 300 to 350 K, the US and YM modules declined from 410.45 to 1073.13 to 351.36–661.4 MPa, respectively. Physically, this mechanical performance results from increased atomic oscillations inside the computational box. Therefore, it is concluded that the effect of temperature on silica's mechanical performance is important and used in various industries.

Keywords

• Initial temperature
• Mechanical properties
• Silica aerogel
• LAMMPS
• Molecular dynamics simulation