Computational Study on Interfacial Interactions between Polymethyl Methacrylate-Based Bone Cement and Hydroxyapatite in Nanoscale

Polymethyl methacrylate (PMMA)-based bone cement (BC) is a key material in joint replacement surgery that transfers external forces from the implant to while allowing their robust binding. To quantitatively evaluate effect of polymerization on thermomechanical properties BC and interaction characteristics with ceramic hydroxyapatite (HAp), molecular dynamics simulations were performed. The mechanical stiffness under loading increased gradually crosslinking reaction occurrence, indicating increasing load transfer between constituent molecules. In addition, as individual Methyl Methacrylate (MMA) segments interconnected system, freedom network was largely suppressed, resulting more thermally stable structures. Furthermore, pull-out tests using HAp/BC bilayer models different constraints (BC at 40% 85%) revealed cohesive scaffold detail. fracture energy by 32% 98%, respectively, crosslink density increasing.