  Titanium alloys are promising candidates for orthopedic implants due to their
mechanical resilience and biocompatibility. Current titanium alloys in
orthopedic implants still suffer from low wear and corrosion resistance. Here,
we present a computational method for optimizing the composition of titanium
alloys for enhanced corrosion and wear resistance without compromising on other
aspects such as phase stability, biocompatibility, and strength. We use the
cohesive energy, oxide formation energy, surface work function, and the elastic
shear modulus of pure elements as proxy descriptors to guide us towards alloys
with enhanced wear and corrosion resistance. For the best-selected candidates,
we then use the CALPHAD approach, as implemented in the Thermo-Calc software,
to calculate the phase diagram, yield strength, hardness, Pourbaix diagram, and
the Pilling-Bedworth (PB) ratio. These calculations are used to assess the
thermodynamic stability, biocompatibility, corrosion resistance, and wear
resistance of the selected alloys. Additionally, we provide insights about the
role of silicon on improving the corrosion and wear resistance of alloys.
