About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advanced Biomaterials and Implants
|
| Presentation Title |
First-Principles Investigation of Nb Substitution Effects on the Structural Stability, Electronic Structure, and Biomedical Performance of CoCr-based Alloys |
| Author(s) |
Abidemi Samuel Adeyoye, Patricia Abimbola Popoola, Olawale Moshood` Popoola, Samson Oluropo Adeosun, Modupeola Oluwaseun Dada |
| On-Site Speaker (Planned) |
Abidemi Samuel Adeyoye |
| Abstract Scope |
Cobalt–chromium (CoCr)-based alloys are widely used in biomedical implants due to their excellent mechanical strength, wear resistance, and corrosion resistance. However, concerns regarding metal ion release and long-term biocompatibility necessitate the development of improved alloy compositions. In this study, density functional theory (DFT) calculations are employed to investigate the influence of niobium (Nb) substitution on the structural, mechanical, and electronic properties of Co₀.₃₃Cr₀.₃₃Mo₀.₃₃₋ₓNbₓ alloys. By maintaining constant Co and Cr concentrations while progressively replacing Mo with Nb, the isolated effect of the Mo/Nb ratio is systematically examined. Formation energy, elastic properties, and density of states analyses are performed to evaluate alloy stability, bonding characteristics, and electronic behavior. The study aims to establish composition–structure–property relationships and assess electronic descriptors relevant to corrosion resistance and biomedical performance. The findings are expected to provide theoretical guidance for the design of advanced CoCr-based biomaterials with enhanced stability and biocompatibility. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Biomaterials, Other, Other |