XRDlicious is an online computational tool for calculating powder X-ray diffraction and neutron diffraction patterns (diffractograms) and partial and total radial distribution functions [(P)RDFs] from crystal structures. It features a user-friendly browser-based interface that supports widely used structural file formats, such as CIF, POSCAR, XYZ and LMP. The structures can be either uploaded or retrieved directly from the Crystallography Open Database, Materials Project and Automatic FLOW databases via an integrated search interface. Uploaded structures can be modified and exported in CIF, POSCAR, LMP or XYZ formats. The tool also enables the conversion of experimental powder diffraction data between different wavelengths, to d-space or q-space representations, and between fixed or automatic divergence slits. By eliminating the need for software installation, this application ensures accessibility across various devices (including mobile phones and tablets) and different computer operating systems. Its ability to simultaneously plot diffraction patterns from multiple structures is particularly useful for comparing structures obtained from computational simulations. Beyond research applications, its intuitive interface also makes it suitable for educational purposes, allowing students to explore concepts such as diffraction patterns and (P)RDFs in an easily approachable way. XRDlicious is accessible at https://xrdlicious.com.
In recent years, 3D printing has become a key technology for producing intricate geometries with high precision. Beta titanium alloys (β-Ti), due to their excellent combination of strength, ductility, low elastic modulus, and biocompatibility, are widely used in the aerospace and medical industries. However, the unique microstructure formed during additive manufacturing characterised by porosity, residual stress, and anisotropy can significantly influence the mechanical performance and durability of these materials. This study examines how different printing parameters affect porosity, dimensional stability, and mechanical properties in the β-Ti alloy Ti25Nb4Ta8Sn. The investigation focuses on thin-walled samples and gyroid structures, which represent model geometries for porous biomedical components. These structures, defined by a periodic network of interconnected channels, provide a useful platform for studying the relationship between geometry and mechanical response. In addition, the effects of surface etching on the morphology and compressive behaviour of printed gyroid structures were evaluated. Compression testing was used to determine how etching alters load-bearing performance and to identify correlations between surface modification and mechanical response. The combined analysis enables optimisation of both printing and post-processing parameters for advanced biomedical applications.
This study investigates the fabrication and characterization of binary Ti-Si and Ti-Al thin-film metallic glasses (TFMGs) deposited via electron beam evaporation on cp Ti and Si substrates. X-ray diffraction confirmed the amorphous structure of the Ti89Si11 and Ti55Al45 thin films. AFM revealed differences in surface roughness, with Ti89Si11 exhibiting a smoother surface (Ra = 0.9 nm) than Ti55Al45 (Ra = 1.6 nm), likely due to differences in atomic size mismatch, heat of mixing, and potential oxidation effects. Electrochemical tests in Hank’s solution demonstrated the superior corrosion resistance of Ti89Si11, which had the lowest icorr (0.123 µA/cm2) and widest passive region compared to Ti55Al45 and reference materials (cp Ti and SS316L). Mechanical properties revealed that both TFMGs exhibit higher indentation hardness and comparable reduced elastic modulus to cp Ti, with Ti55Al45 showing the highest hardness (5.93 ± 0.37 GPa). These findings highlight the potential of Ti-Si and Ti-Al TFMGs as high-performance materials for biomedical coatings.