Measuring Single-Crystal Diffuse Neutron Scattering on the Wombat High-Intensity Powder Diffractometer

Single-crystal diffuse scattering was collected on the Wombat high-intensity powder diffractometer at the OPAL reactor at the Bragg Institute. The difficulty in measuring diffuse scattering comes from its relatively low intensity compared to the Bragg peaks, a factor of 10³10^{3} to 10⁴10^{4} smaller. Wombat allows collection of diffuse scattering due to its high intensity and large two-dimensional detector. Diffuse scattering data from yttria-stabilized cubic zirconia (YCSZ, Y₂O₃\hbox{Y}_2\hbox{O}_3 stabilized ZrO₂\hbox{ZrO}_2) and PbZn_1/3Nb_2/3O₃\hbox{PbZn}_{1/3}\hbox{Nb}_{2/3}\hbox{O}_3 (PZN) were successfully collected, the latter at a range of temperatures. The data were processed, normalized, and background subtracted to reconstruct flat reciprocal space sections with a minimum of artifacts. The strategies used to tackle the collection of neutron diffuse scattering and the way in which they are implemented will be discussed. The results show that the neutron powder diffractometer with a continuous detector is capable of collecting high-quality diffuse scattering data.     

Forecast aggregation via recalibration

It is known that the average of many forecasts about a future event tends to outperform the individual assessments. With the goal of further improving forecast performance, this paper develops and compares a number of models for calibrating and aggregating forecasts that exploit the well-known fact that individuals exhibit systematic biases during judgment and elicitation. All of the models recalibrate judgments or mean judgments via a two-parameter calibration function, and differ in terms of whether (1) the calibration function is applied before or after the averaging, (2) averaging is done in probability or log-odds space, and (3) individual differences are captured via hierarchical modeling. Of the non-hierarchical models, the one that first recalibrates the individual judgments and then averages them in log-odds is the best relative to simple averaging, with 26.7 % improvement in Brier score and better performance on 86 % of the individual problems. The hierarchical version of this model does slightly better in terms of mean Brier score (28.2 %) and slightly worse in terms of individual problems (85 %).     

Photophysics of polyaniline: Sequence-length distribution dependence of photoluminescence quenching as studied by fluorescence measurements and Monte Carlo simulations

The dependence of the fluorescence quenching of electropolymerized poly(aniline-co-m-chloroaniline) with polymer composition has been investigated. Fluorescence emission in polyaniline is quenched when the polymer is oxidized (brought to emeraldine state); the copolymers exhibit decreasing quenching as chloroaniline contents increases. Quenching shows a strong decrease in the presence of 0.1% m-chloroaniline monomers in the feed. The presence of dichloroaniline units in the copolymer was confirmed by XPS measurements and a terpolymerization reaction scheme was developed, obtaining the kinetic parameters. By Monte Carlo simulation the sequence length distributions for different compositions were obtained and compared; it was found that quenching, for low aniline contents, requires aniline sequences of at least three units. The strong decrease in quenching at low m-chloroaniline contents is attributed to a double effect: breaking of conjugation in the emeraldine form by the presence of the chlorinated unit, and a disruption of the close chain packing in the crystalline domains, preventing state delocalization and thus efficient quenching.     

Space mapping-focused control techniques for particle dispersions in fluids

We present and investigate techniques for optimizing particle dispersions in all kinds of Reynolds number flows. In particular, we show the range of application, power and efficiency of space mapping approaches that are based on a hierarchy of models ranging from a complex (fine, accurate, costly) to simple (coarse, rough, cheap) model. Space mapping turns out to be a reasonable approximation to optimal control and a competitive alternative to instantaneous control regarding speed and memory demands when dealing with complex, non-stationary problems. Moreover it allows the easy and efficient treatment of stochastic design problems. To control random particle dynamics in a turbulent flow, we suggest a Monte-Carlo aggressive space mapping algorithm which yields very convincing numerical results.     

Binary ant colony optimization applied to variable screening in the Mahalanobis–Taguchi System

This work presents the application of the Mahalanobis–Taguchi System (MTS) to a dimensional problem in the automotive industry. The combinatorial optimization problem of variable selection is solved by the application of a recent version of binary ant colony optimization algorithm. Moreover, a comparison with respect to binary particle swarm optimization algorithm is also presented and a discussion regarding the numerical results is given.     

Highly translucent nanostructured glass-ceramic

Transparent and translucent glass-ceramics (GCs) are found in an increasing number of domestic and high-technology applications. In this paper, we evaluated and optimized the effects of two-stage heat treatments on the resulting crystalline phases and microstructure of a glass of the SiO₂–Li₂O–P₂O₅–TiO₂–CaO–ZnO–Al₂O₃ system. The objective was to develop a transparent nanostructured glass-ceramic (GC). After numerous heat treatment trials, we found that a long nucleation period of 72 h at 455 °C followed by a crystal growth treatment at 660 °C for 2 h resulted in a highly translucent GC having homogenously distributed nanocrystals. The relatively high amount of P₂O₅ (2.5 mol%) induced the formation of lithium disilicate as the main crystal phase. We thus developed a GC having crystals under 50 nm, with a high crystallized fraction (52%vol. Li₂Si₂O₅ and 26% vol Li₂SiO₃), transmittance of approximately 80% in the visible spectrum for 1.2 mm thick specimens, nano hardness of 8.7 ± 0.1 GPa (load of 400 mN), a high elastic modulus of 138 ± 3 GPa as measured by nanoindentation, and good flexural strength (350 ± 40 MPa) as measured by ball-on-3 balls tests. Due to its high content of Li⁺, this GC has the potential to be chemically strengthened and can be further developed to be used in a number of applications, such as on displays of electronic devices.     

Influence of Methanol on Prion Reduction during High Temperature and High Pressure Oleochemical Processes

Prion‐reduction in standard biodiesel processes is caused by acidic and alkaline conditions. In the alternative RepCat biodiesel process, efficient prion‐reduction can be achieved by high‐temperature/pressure. However, a possible increase in thermostability of prions in the presence of methanol during these conditions has not previously been investigated, and is verified in this work. Samples are spiked with prions, treated with methanol, and incubated at 220 °C at 80 bar for 30 min. No traces of protease‐resistant prion protein (as proxy for prions) are detected in tallow or glycerine (as the final by‐product) after treatment. Serial dilutions of spiked prions show at least 6 log₁₀ prion reduction. More importantly, similar effects are detected using milder conditions of 200 °C at 70 bar for 15 min, representing the worst‐case conditions of the process. In conclusion, this study shows that methanol does not increase the thermostability of prions and the RepCat process can efficiently eliminate prions and is therefore safe for the usage of category 1 tallow. Practical Applications: The study further supports the applicability of RepCat process in reducing prion‐contamination in the presence of methanol. Furthermore, the conditions leads to a considerable reduction of prions in glycerine obtained as by‐product.