Abstract
Titanium alloys are promising candidates for use in biomedical applications for orthopaedic implants due to their low Young’s modulus, high strength, and good biocompatibility. Amongst Ti alloys, Ti6Al4V alloy is the most widely utilized for biomedical implants. However, both alloying elements Al and V in Ti6Al4V have adverse effects in human body which is not desirable. Currently, β -type Ti–Mo-based alloys are potential substitute materials due to their good biocompatibility and lower elastic modulus. Semi-empirical embedded-atom method interatomic potentials incorporated in the LAMMPS code were employed. The structural and elastic properties of β Ti-15Mo-xFe$$\left( {0 \le \times \le 12} \right)$$0 ≤ × ≤ 12 alloys were calculated to determine the phase stability and strength at 298 K. These findings can have important implications for future design and development of Ti-15Mo-xFe alloys for use as load-bearing orthopaedic implant. Graphical abstract