ABSTRACT
Exploring the vast compositional space offered by multicomponent systems or high entropy materials using the traditional route of materials discovery, one experiment at a time, is prohibitive in terms of cost and required time. Consequently, the development of high-throughput experimental methods, aided by machine learning and theoretical predictions will facilitate the search for multicomponent materials in their compositional variety. In this study, high entropy oxides are fabricated and characterized using automated high-throughput techniques. For intuitive visualization, a graphical phase-property diagram correlating the crystal structure, the chemical composition, and the band gap are introduced. Interpretable machine learning models are trained for automated data analysis and to speed up data comprehension. The establishment of materials libraries of multicomponent systems correlated with their properties (as in the present work), together with machine learning-based data analysis and theoretical approaches are opening pathways toward virtual development of novel materials for both functional and structural applications.
ABSTRACT
The aim of this work is to assess the evolution of the structural and optical properties of BixTiyOz films grown by rf magnetron sputtering upon post-deposition annealing treatments in order to obtain good quality films with large grain size, low defect density and high refractive index similar to that of single crystals. Films with thickness in the range of 220-250 nm have been successfully grown. After annealing treatment at 600 °C the films show excellent transparency and full crystallization. It is shown that to achieve larger crystallite sizes, up to 17 nm, it is better to carry the annealing under dry air than under oxygen atmosphere, probably because the nucleation rate is reduced. The refractive index of the films is similar under both atmospheres and it is very high (n =2.5 at 589 nm). However it is still slightly lower than that of the single crystal value due to the polycrystalline morphology of the thin films.
ABSTRACT
The applications of Bismuth Titanate (BixTiyOz) materials have been focused on their electronic and optical properties, but with respect to the use of these compounds in applications like corrosion resistance, have been very few or nonexistent. For this reason, in the present investigation BixTiyOz thin films were deposited using RF magnetron sputtering onto silicon wafers, stainless steel 316L, and titanium alloy (Ti6Al4V) substrates, in order to carry out a study of the corrosion behavior of this compound. The structural properties of the coatings were studied through X-ray diffraction (XRD), the morphology was determined using Scanning Electron Microscopy (SEM), the corrosion resistance behavior of the coated and uncoated substrates was evaluated via the Potentiodynamic Polarization technique, and surface chemical composition was evaluated through X-ray photoelectron spectroscopy (XPS). The XRD results indicated that the films were amorphous. The SEM micrographs showed that the deposited films were homogeneous, but in some cases there were cracks. The potentiodynamic polarization technique showed that the corrosion current in the coated substrates decreased by an order of two magnitudes with respect to the uncoated substrates, but in both cases the corrosion mechanism was pitting due to the pores in the film. The XPS analysis shows that the deposited films contain both Bi3+ and Ti4+.