| Abstract: | In the present study, the Density Functional Theory (DFT) implemented in the VASP package has been used to investigate the effects of alloying of different elements deemed biocompatible (Ca, Zn, Li, Zr, Y, Sr, Mn, Ag, RE) when introduced into the Mg and Fe crystal lattice. In particular, the study has been conducted to investigate the general elastic properties, such as bulk modulus, shear modulus, Youngs modulus and Poissons ratio of various Mg- and Fe-based alloys, the results serving to identify candidate bio-resorbable materials potentially suitable for cardiovascular, bronchotracheal, orthopedic and craniofacial applications.
|
