Computational Multiscale Analysis for Interfacial Behavior of Bio-Layers and Medical Implants

A joint approach of molecular dynamics (MD) and microstructural finite element analysis (FEA) is proposed in this work to carry on multiscale analysis for interfacial behavior of bio-layers and medical implants. Here the bio-layer is a layer which consists of bio-molecules such as DNA and membrane, along with water molecules. Because bio-cells such as fibroblasts and osteoblasts around the implant live and regenerate under this kind of interface conditions the interfacial behavior investigated in this work is fundamentally important for implant’s bio-compatibility and designing new-generation materials to solve the notoriously difficult problem in elongating implant’s duration and improving life quality of people who uses implants (see background*). The technical approach proposed in this work is to use MD to get the interface physical property such as adhesion energy, shear resistance and bonding strength. Some of these physical parameters obtained from this atomic-scale analysis can then be inputted to finite element model to investigate effects of surface morphology on interface property at the meso-macroscopic scales. Through FEA model with dimension of millimeters which are much larger than bio-cells (say, dimension of fibroblasts and osteoblasts: 50–200 microns) the effects of roughness, waviness and porosity of interface on cell’s adhesion and regeneration can be investigated. More detail of this multuscale analysis will be introduced in the presentation.