About this Abstract |
| Meeting |
MS&T25: Materials Science & Technology
|
| Symposium
|
Next Generation Biomaterials
|
| Presentation Title |
Substitution Mediated Change in Mechanical Properties of Bio-mimetic Apatites |
| Author(s) |
Stephanie Wong, Abigail Eaton, Arun Nair, Alix Deymier |
| On-Site Speaker (Planned) |
Arun Nair |
| Abstract Scope |
Mineralized tissue is comprised of apatites with substitutions like cationic sodium and potassium and anionic carbonate. Cations substitute for calcium in the apatite lattice but it is unclear which calcium site is affected. Previous studies have shown that anionic substitutions reduce mineral stiffness; however, the effect of cationic substitutions on mineral mechanics remains unknown. We present a computational approach using Density Functional Theory (DFT) to predict the role of sodium, potassium, and carbonate substitutions on the atomic structure and mechanics of biomimetic apatites. The computational predictions were validated by experimental WAXS results under hydrostatic load showing that preferential substitutional location (Ca(1) or Ca(2)) depends on cationic type and concentration, with a preference for Ca(1) at higher levels of co-substitution. Cationic substitution levels and location both significantly affect the modulus of the mineral crystals. These results present a new paradigm for the development of biomimetic apatites for biomedical applications. |