AbstractInterfaces play an important role in controlling the mechanical properties of composites. Optimum mechanical strength of scaffolds is of prime importance for bone tissue engineering. In the present work, molecular dynamics simulations and experimental studies have been conducted to study effect of interfacial interactions on mechanical properties of composites for bone replacement. In order to mimic biological processes, hydroxyapatite (HAP) is mineralized in presence of polyacrylic acid (PAAc) (in situ HAP). Further, solid and porous composites of in situ HAP with polycaprolactone (PCL) are made. Mechanical tests of composites of in situ HAP with PAAc have shown improved strain recovery, higher modulus/density ratio and also improved mechanical response in simulated body fluid (SBF). Simulation studies indicate potential for calcium bridging between –COO− of PAAc and surface calcium of HAP. This fact is also supported by infrared spectroscopic studies. PAAc modified surfaces of in situ HAP offer means to control the microstructure and mechanical response of porous composites. Nanoindentation experiments indicate that apatite grown on in situ HAP/PCL composites from SBF has improved elastic modulus and hardness. This work gives insight into the interfacial mechanisms responsible for mechanical response as well as bioactivity in biomaterials.
