Bioceramics for medical applications: a computational view

Abstract

Bio ceramics have enormous applications in the medical field as being used as implants. The base material in bioceramics is mostly calcium phosphate which comes in the form of hydroxyapatite (HAp) or Beta-tricalcium phosphate (β-TCP). The other materials are silica and alumina. The different blends of these bioceramics as well as bioglass are in use for medical implants. The use of simulation and modeling in determining and analysing the structure and function of these bioceramics is used for developing implants, scaffolds, and prosthetics as well as for analysing complex molecular interactions. The use of different molecular dynamics modeling techniques, Density Functional Theory, Finite Element Modeling, Artificial Neural Networks, etc is done in this regard. The results of these modeling and simulations are used for bone grafting, making scaffolds, making dental implants, healing damaged bones, 3D modeling, stress analysis, As removal, nanoindentation, etc. Some software like GROMACS, MEGACELL, and ANOVA is used for this purpose. Hydroxyapatite (HAp) was prepared from egg shells by various routes using hexane and acetic acid followed by heat treatment. Hap has a wide application in water treatment by removal of metal ions. XRD of the samples showed use of acetic acid followed by high temperature sintering leads to formation crystalline phases of HAp. Strong evidence of CaCO3 in calcite phase was obtained in other samples.