Enhancing Mechanical Properties of Chitosan-Silica Aerogels with Tricalcium Phosphate Nanoparticles: A Molecular...

Chitosan-silica aerogel nanocomposites are lightweight materials with a highly porous structure that have a wide range of applications, including drug delivery systems, tissue engineering, and insulation. These materials may be strengthened using tricalcium phosphate in chitosan-silica aerogel nanocomposites. Thus, in the present research projects, the influence of different atomic percentages of TCP (2%, 3%, and 5%) on mechanical parameters such as stress-strain, ultimate strength, and Young's modulus of chitosan-silica aerogel NCs was evaluated using molecular dynamics modeling and LAMMPS software. The findings demonstrate that the addition of tricalcium phosphate (1-3%) enhanced the ultimate strength and Young's modulus of the simulated nanocomposite from 26.968 to 43.468 GPa and from 681.145 to 1053.183 MPa, respectively. The ultimate strength and Young's modulus of the silica aerogel/chitosan nanocomposites, however, decreased to 1021.418 MPa and 42.008 GPa, respectively, with the addition more than 5% TCP.