Numerically Designed Ta-Cu Dental Implants towards Better Mechanical Performance

Abstract

This project is funded by the DFG in the framework of proposals for initiating international cooperations under UR 32/28-1, which is aimed to understand the mechanical behavior and deformation mechanisms of Ta-Cu dental implants through atomic-scale simulations. Nowadays, implants have been recognized as one of the most common treatment options to replace the decayed tooth. In this context, based on the biological in vitro and in vivo studies, tantalum implants have shown enhanced osseointegration and cell adhesion, which makes them to be favoured for therapeutic purposes. In addition to the biological features, it has been demonstrated that Ta-based implants embedded with Cu phase possess antibacterial properties, which can dramatically decrease the treatment period. Considering the importance of the mechanical characteristics of the medical implants, the overarching goal of our research is to characterize the mechanical behavior and plastic deformation of Ta-Cu nanocomposite systems by means of molecular dynamics (MD) simulations. Our particular focus will be on the evaluation of microstructural defects such as grain boundaries, dislocations, stacking faults and twinning formation within the introduced nanocomposite samples when subjected to various mechanical loadings namely; uniaxial tensile and compressive tests, and also nano-scratching.