Composition effects of thermal barrier coating ceramics on their interaction with molten Ca–Mg–Al–silicate (CMAS) glass

Systematic studies have been performed to investigate the composition effects of ZrO₂-based thermal barrier coating (TBC) ceramics on their interactions with molten Ca–Mg–Al–silicate (CMAS) glass. Porous ceramic pellets (～15% porosity), instead of actual TBCs, are used in these model studies, where the penetration of molten CMAS into the pellets is investigated. This study involves a total of six compositions of ZrO₂-based ceramics: two containing low solute (Y³⁺ or Gd³⁺) concentration, three with high concentration of solute (Y³⁺, Gd³⁺ or Yb³⁺), and one containing a combined intermediate concentration of Y³⁺+Al³⁺+Ti⁴⁺ solutes. While both the type of the solute and its concentration in the ZrO₂-based TBC ceramics have been found to influence the extent of molten CMAS penetration into the pellets, the solute concentration has the most dramatic effect. In particular, molten CMAS penetration is almost completely suppressed in porous TBC ceramic pellets containing a high concentration of Y³⁺ solute (Y₂Zr₂O₇). Possible mechanisms governing these effects are presented, together with a discussion of guidelines for the chemical design of CMAS-resistant zirconate TBC ceramics. Generally, for a TBC ceramic to be highly effective against CMAS attack it must interact vigorously with the molten CMAS, which must result in the rapid crystallization of the refractory oxide phase(s) that form a sealing layer, arresting further penetration of the molten CMAS. The porous ceramic pellets approach used here could be developed into rapid-screening methodologies for the discovery of CMAS-resistant TBC ceramic compositions, and to study the effect of composition of CMAS glasses on their interactions with TBC ceramics of specific compositions.     

Synthesis and Characterization of Nanostructured Cerium Dioxide Thin Films Deposited by Ultrasonic Spray Pyrolysis

Nanostructured thin films of cerium dioxide have been prepared on single-crystalline silicon substrates by ultrasonic spray pyrolysis using cerium acetylacetonate as a metal–organic precursor dissolved in anhydrous methanol and acetic acid as an additive. The morphology, structure, optical index, and electrical properties were studied by X-ray diffraction, scanning electron microscopy, atomic force microscopy, ellipsometry, and impedance spectroscopy. The use of additives is very important to obtain crack-free films. The substrate temperature and flow rate was optimized for obtaining smooth ( R _a<0.4 nm), dense ( n >2), and homogeneous nanocrystalline films with grain sizes as small as 10 nm. The influence of thermal annealing on the structural properties of films was studied. The low activation energy calculated for total conductivity (0.133 eV) is attributed to the nanometric size of the grains.     

Analytic expressions for the isosteric heat of adsorption from adsorption isotherm models and two-dimensional SAFT-VR equation of state

The isosteric heat of adsorption is an important thermodynamic property used to characterize and optimize adsorption processes. In this work, analytic expressions for isosteric heats of adsorption are derived for a collection of commonly used isotherm models and a two-dimensional molecular equation of state based on the SAFT-VR approach. The use of these expressions is presented with an example of adsorption of nitrous oxide, N₂O, on biochar, which is a waste biomass charcoal that exhibits high adsorption potential. The results show that accurate fitting of the adsorption isotherms leads to consistent results obtained with different approaches; however, the predicted isosteric heat of adsorption exhibits strong variations in the regions where experimental data is insufficient such in the region of low pressure/low coverage. Convergence on the prediction of the isosteric heat of adsorption by the different models is only observed in the region where no extrapolation of experimental data is needed.     

Microstructural development during crystallization firing of a dental-grade nanostructured lithia-zirconia glass-ceramic

The microstructural development during crystallization firing of a commercially-available dental-grade nanostructured lithia-zirconia glass-ceramic (Vita Suprinity® PC) was unraveled using a wide battery of ex-situ and in-situ characterization techniques. It was found that the milling blocks are slightly crystallized glass-ceramics, with a complex chemical composition and consisting of partially de-polymerized glass plus lithium silicate (Li₂SiO₃) nanocrystals. It was also found that during crystallization firing the glassy matrix first reacts with part of the Li₂SiO₃ to form lithium disilicate (Li₂Si₂O₅) at ～810?820 °C, and then lithium orthophosphate (Li₃PO₄) precipitates from the glass. This results in glass-ceramics with abundant nanocrystals embedded in a sparse zirconosilicate glass matrix (containing many other cations subsumed) that, due to its high viscosity, inhibited crystal growth. Therefore, these dental glass-ceramics are not reinforced with zirconia (ZrO₂) crystals unless over-fired above ～890 °C and at the expense of its singular nanostructure. Finally, this study opens doors for optimizing the clinical performance of these dental glass-ceramics via microstructural tailoring.     

Kinetic study and modeling of the high temperature CO2 capture by Na2ZrO3 solid absorbent

Hydrogen production through sorption enhanced reforming (SER) use a solid CO₂ absorbent to increase hydrogen purity (98%) and to perform reforming and WGS reactions in one single step, thus producing high methane conversions and important energy savings. Na₂ZrO₃ is as an alternate synthetic CO₂ solid absorbent for SER applications. The present research is aimed to establish CO₂ sorption kinetics parameters; reaction order, rate constant, apparent, intrinsic and diffusional activation energies. Na₂ZrO₃ sorption kinetics was studied through TGA as a function of CO₂ concentration and temperature. A global reaction rate of first order in CO₂ and a strong dependence in temperature was found. The approximate solution to the shrinking core model was used to fit the data. Modeling results indicated the surface reaction as the main resistance to the reaction rate, controlling reaction kinetics with only a minor contribution of the product layer diffusion resistance toward the end of the reaction.     

Empirical study on Game Transfer Phenomena in a location-based augmented reality game

Research on Game Transfer Phenomena (GTP) has demonstrated that playing video games can lead to re-experiencing images, sounds, tactile sensations, spontaneous thoughts and actions, sometimes triggered by physical objects/events associated with the game. Location-based augmented reality games posit interesting questions regarding GTP, particularly because they use physical locations, they overlay digital images in physical contexts and the gameplay shifts between the virtual and the physical world. This study aims to investigate the prevalence of GTP and the role of immersion, augmented reality and sound in a sample of English- (EnS) and Spanish- (SpS) speaking gamers of the game Pokémon Go (PoGo). A total of 1313 gamers (M_age?=?31.47) were recruited online. GTP was less common than in previous studies; however, 82.4% had experienced GTP at least once. The SpS showed higher prevalence of GTP and played more intensively. Automatic mental processes predominated in the EnS, while behaviours and actions were more common in the SpS. The absence or presence of video game features seems important for the way GTP manifests. For instance, tactile hallucinations were more prevalent, while sensations of self-motion were less reported. Playing with augmented reality (AR) and sounds showed significant correlations with various GTP types, but not with re-experiencing images from the game. More gamers who reported the sensation that Pokémon were physically present or looked for Pokémon outside the screen while playing, as connotations of immersion, had experienced GTP. Experiencing GTP while playing may be more common in location-based augmented reality games, compared to other games.     

Data mining and accelerated electronic structure theory as a tool in the search for new functional materials

A highly accelerated electronic structure implementation and data mining algorithms have been combined with structural data from the inorganic crystal structure database to generate materials properties for about 22,000 inorganic compounds. It is shown how data mining algorithms employed on the database can identify new functional materials with desired materials properties, resulting in a prediction of 136 novel materials with potential for use as detector materials for ionizing radiation. The methodology behind the automatized ab initio approach is presented, results are tabulated and a version of the complete database is made available at the internet web site <http://gurka.fysik.uu.se/ESP/> (Ref. [1]).     

Utilization of Ultrasonic Measurements for Determining the Variations in Microstructure of Thermally Degraded 2205 Duplex Stainless Steel

The aim of this study is to investigate the changes in attenuation of longitudinal waves and velocity of shear wave modes for assessing variations in the microstructure of thermally degraded 2205 duplex stainless steel samples that were aged isothermally at 700°C and 900°C for different time intervals. The evaluation of material microstructural changes such as phase transformation and second phase precipitation which are related to material properties is of primary importance to ensure quality of components. This paper presents evidence that indicate that the attenuation coefficient of the longitudinal mode is sensitive to gradual microstructural changes produced by the aging treatments. The gradual changes in microstructure are associated with reduction of impact properties. On the other hand, for samples aged at 700°C, the velocity of the fast mode of shear wave show changes at high aging times and does not show changes at early aging times were the materials properties are already degraded.     

A numerical model of light adjustable lens

We model numerically the mechanical effects of UV induced photo-polymerization in elastomeric artificial lens. The elastomer is originated upon cross-linking of a silicone matrix. UV irradiation of one side of the lens polymerizes selectively a photosensitive macromer, causing local variations of its concentration. The subsequent diffusion of macromers from high concentration to low concentration zones modifies the shape of the lens and thus its dioptric power. In vitro experiments on artificial lens showed that the power change is dependent on UV exposure time, irradiation intensity and light pattern. With the aim to define a numerical tool able to predict the dioptric power adjustment as a function of the UV irradiation parameters, we setup a purely mechanic finite element model of the lens, adopting a hyperelastic material model embedded with eigen-deformations. Numerical simulations of axis-symmetric irradiation closely reproduced the experimental results, in terms of both lens geometry and dioptric power, for positive, negative and lock-in corrections.