High-current pulsed electron-beam (PEB) treatment was applied as a surface finishing procedure for Ti–35Nb–7Zr–5Ta (TNZT) alloy produced by electron beam melting (EBM). According to the XRD results the TNZT alloy samples before and after the PEB treatment have shown mainly the single body-centered cubic (bcc) β-phase microstructures. The crystallite size, dislocation density, and microstrain remain unchanged after the PEB treatment. The investigation of the texture coefficient at the different grazing angle revealed the evolution of the crystallite orientations at the re-melted zone formed at the top of the bulk samples after the PEB treatment. The top-view SEM micrographs of the TNZT samples treated by PEB exhibited the bcc β-phase grains with an average size of ~85 μm. TEM analysis of as-manufactured TNZT alloy revealed the presence of the equiaxed β-grains with the fine dispersion of nanocrystalline α and NbTi4 phases together with β-Ti twins. Meanwhile, the β phase regions free of α phase precipitation are observed in the microstructure after the PEB irradiation. Nanoindentation tests revealed that the surface mechanical properties of the melted zone were slightly improved. However, the elastic modulus and microhardness in the heat-affected zone and the deeper regions of the sample were not changed after the treatment. Moreover, the TNZT alloy in the bulk region manufactured by EBM displayed no significant change in the corrosion resistance after the PEB treatment. Hence, it can be concluded that the PEB irradiation is a viable approach to improve the surface topography of EBM-manufactured TNZT alloy, while the most important mechanical parameters remain unchanged.

The β-type Ti–42Nb alloy has been successfully manufactured from pre-alloyed powder using the E-PBF method for the first time. This study presents thorough microstructural investigations employing diverse methodologies such as EDS, XRD, TEM, and EBSD, while mechanical properties are assessed using UPT, nanoindentation, and compression tests. Microstructural analysis reveals that Ti–42Nb alloy primarily consisted of the β phase with the presence of a small amount of nano-sized α″-martensite formed upon fast cooling. The bimodal-grained microstructure of Ti–42Nb alloy comprising epitaxially grown fine equiaxed and elongated equiaxed β-grains with an average grain size of 40 ± 28 µm exhibited a weak texture. The study shows that the obtained microstructure leads to improved mechanical properties. Young’s modulus of 78.69 GPa is significantly lower than that of cp-Ti and Ti–6Al–4V alloys. The yield strength (379 MPa) and hardness (3.2 ± 0.5 GPa) also meet the criteria and closely approximate the values typical of cortical bone. UPT offers a reliable opportunity to study the nature of the ductility of the Ti–42Nb alloy by calculating its elastic constants. XPS surface analysis and electrochemical experiments demonstrate that the better corrosion resistance of the alloy in SBF is maintained by the dominant presence of TiO₂ and Nb₂O₅. The results provide valuable insights into the development of novel low-modulus Ti–Nb alloys, which are interesting materials for additive-manufactured implants with the desired properties required for their biomedical applications.

New β-stabilized Ti-based alloys are highly promising for bone implants, thanks in part to their low elasticity. The nature of this elasticity, however, is as yet unknown. We here present combined first-principles DFT calculations and experiments on the microstructure, structural stability, mechanical characteristics, and electronic structure to elucidate this origin. Our results suggest that the studied β Ti-35Nb-7Zr-5Ta wt % (TNZT) alloy manufactured by the electron-beam powder bed fusion (E-PBF) method has homogeneous mechanical properties (H = 2.01 ± 0.22 GPa and E = 69.48 ± 0.03 GPa) along the building direction, which is dictated by the crystallographic texture and microstructure morphologies. The analysis of the structural and electronic properties, as the main factors dominating the chemical bonding mechanism, indicates that TNZT has a mixture of strong metallic and weak covalent bonding. Our calculations demonstrate that the softening in the Cauchy pressure (C' = 98.00 GPa) and elastic constant C̅₄₄ = 23.84 GPa is the origin of the low elasticity of TNZT. Moreover, the nature of this softening phenomenon can be related to the weakness of the second and third neighbor bonds in comparison with the first neighbor bonds in the TNZT. Thus, the obtained results indicate that a carefully designed TNZT alloy can be an excellent candidate for the manufacturing of orthopedic internal fixation devices. In addition, the current findings can be used as guidance not only for predicting the mechanical properties but also the nature of elastic characteristics of the newly developed alloys with yet unknown properties.

Hydroxyapatite (HAP) is frequently used as biocompatible coating on Ti-based implants. In this context, the HAP-Ti adhesion is of crucial importance. Here, we report ab initio calculations to investigate the influence of Si incorporation into the amorphous calcium-phosphate (a-HAP) structure on the interfacial bonding mechanism between the a-HAP coating and an amorphous titanium dioxide (a-TiO₂) substrate, contrasting two different density functionals: PBE-GGA, and DFT-D3, which are capable of describing the influence of the van der Waals (vdW) interactions. In particular, we discuss the effect of dispersion on the work of adhesion (W_ad), equilibrium geometries, and charge density difference (CDD). We find that replacement of P by Si in a-HAP (a-Si-HAP) with the creation of OH vacancies as charge compensation results in a significant increase in the bond strength between the coating and substrate in the case of using the PBE-GGA functional. However, including the vdW interactions shows that these forces considerably contribute to the W_ad. We show that the difference (W_ad − W_ad(vdW)) is on average more than 1.1 J m⁻² and 0.5 J m⁻² for a-HAP/a-TiO₂ and a-Si-HAP/a-TiO₂, respectively. These results reveal that including vdW interactions is essential for accurately describing the chemical bonding at the a-HAP/a-TiO₂ interface.