Molecular Dynamics Simulations of Precursor Ceramic with Sil-Ma Composite

Abstract

Molecular dynamics (MD) simulations were used to investigate the interfacial interactions of hydroxyapatite, β tricalcium phosphate, sil-ma, and filin protein (SF) in the composite. This study analyzed the interface binding energy and radial distribution function between hydroxyapatite (HA), β triccalcium phosphate (β -tcp), sil-ma and bio-polymer SF. The study found that the interface binding energy of Sil-MA hybrid system is higher than that of SF hybrid system, indicating that the Sil-MA hybrid system is more stable, which makes the mechanical properties of this system better.