Phonons and Phasons in Icosahedral Quasicrystals

The discovery of quasicrystals not only has changed our view on long-range order, but was a breakthrough for solid state physics and chemistry, since the Bloch theorem can no longer be applied. We review some of the results obtained for icosahedral quasicrystals for lattice dynamics and phonons, as well as for phason modes, which are diffusive excitations characteristic of the quasicrystalline state.     

Additive Manufacturing-Enabled Architected Nanocomposite Lattices Coated with Plasmonic Nanoparticles for Water Pollutants Detection

Novel low-cost materials to uptake and detect vestigial amounts of pesticides are highly desirable for water quality monitoring. Herein, are demonstrated, for the first time, surface-enhanced Raman scattering (SERS) sensors enabled via additively manufactured lattices coated with plasmonic nanoparticles (NPs) for detecting pesticides in real water samples. The architected lattices comprising polypropylene (PP) and multiwall carbon nanotubes (MWCNTs) are realized via fused filament fabrication (FFF). In the first stage, the SERS performance of the PP/MWCNT filaments coated with distinct metallic NPs (Ag NPs and Au NPs) is evaluated using methylene blue (MB) as molecular probe. Thereafter, distinctly architected hybrid SERS sensors with periodic porous and fully dense geometries are investigated as adsorbents to uptake MB from aqueous solutions and subsequent detection using SERS. The spatial distribution of MB and Ag NPs on the FFF-printed lattices is accomplished by SERS imaging. The best hybrid composite is used as SERS probing system to detect low amounts of pesticides (thiram and paraquat) and offers a detection limit of 100 nm for both pesticides. As a proof-of-concept, FFF-enabled test strips are used to detect in loco paraquat molecules spiked on real water samples (Estuary Aveiro water and tap water) using a portable Raman spectrometer.     

Site-selective substitution and resulting magnetism in arc-melted perovskite ATiO3-δ (A = Ca,Sr, Ba)

Magnetic properties in perovskite titanates ATiO_3-δ (A = Ca, Sr, Ba) were investigated before and after arc melting. Crystal structure analysis was conducted by powder synchrotron X-ray diffraction with Rietveld refinements. Quantitative chemical element analysis was carried out by X-ray photoelectron spectroscopy. Magnetic measurements were conducted by vibrating sample magnetometer and X-ray magnetic circular dichroism (XMCD). The magnetic properties are found to be affected by impurities of 3d elements such as Fe, Co, and Ni. Depending on the composition and crystal structure, the occupation of the magnetic ions in perovskite titanates is selectively varied, which is interpreted to be the origin of the different magnetic behaviors in arc-melted perovskite titanates ATiO_3-δ (A = Ca, Sr, Ba). In addition, both formation of oxygen vacancies and the reduction of Ti⁴⁺ to Ti³⁺ during arc-melting also play a role as proven by XMCD. Nevertheless, preferential site occupation of magnetic impurities is dominant in the magnetic properties of arc-melted perovskite ATiO_3-δ (A = Ca, Sr, Ba).     

In‐line monitoring of the injection molding process by dielectric spectroscopy

In recent years, electrical techniques like microdielectrometry have increasingly been utilized for their ability to continuously monitor, in a nondestructive way, the advancement of the reaction of thermoset resins under cure. This paper discusses an extension of this technique for the “in‐situ” monitoring of the crystallization of thermoplastics applied during an injection molding process. Electric sensors were positioned at the walls of the mold cavity so that an analysis of the volume dielectric properties of material during the filling, the post‐filling, and the cooling steps could be carried out. Poly(vinylidene fluoride) was chosen for this study. A correlation between the evolution of the dielectric parameters and the succession of the steps in this process was undertaken. The dielectric response was sufficiently sensitive to identify the steps of the closing of the mold, filling, post‐filling, cooling, and ejection of the part. In addition, information concerning the crystallization phenomenon near the wall or in the middle of the sample was collected. The gradual filling of the cavity of the mold was also identified by dielectric measurements. The temperature dependence of dielectric properties of the sample was beneficial in evaluating the increase of the temperature of the mold with the succession of injection cycles. The influence of the packing pressure has been clearly identified and confirms the usefulness of the dielectric method as a probe for detecting the shrinkage of the part during the optimization phase of the machine parameters. The dielectric method detailed herein provides a new non‐invasive technique and could be applied to a closed‐loop control of the injection molding process.     

Fatty Acid Profile of Cardiac Muscle Phospholipid and Triacylglycerol in MDX Mice and C57BL/10ScSnJ Controls

The mdx mouse is a model for Duchenne muscular dystrophy (DMD), a debilitating disease affecting striated muscle. It is established that the fatty acid (FA) composition of skeletal muscle phospholipid (PL) is altered in mdx mice, but it is not known if cardiac muscle is similarly affected by dystrophin-deficiency. We tested FA profiles in PL and triacylglycerol (TAG) in cardiac muscle of 12-week old mdx and control (con) mice. Of 22 different FA, similar to our previous finding for skeletal muscle, the most abundant FA in heart PL were palmitic, stearic, cis-vaccenic, linoleic, and docosahexaenoic acid, while for TAG the most abundant FA were palmitic, oleic, cis-vaccenic, and linoleic acid. In comparing mdx and con, no significant group differences were detected for any FA in PL or TAG. Thus, unlike skeletal muscle, FA composition in cardiac muscle PL is not different between mdx and con at the age studied. The results can be understood in the context of tissue-specific disease severity in mdx mice, as pathology is quite modest in cardiac compared with skeletal muscle.     

Secreted production of a custom-designed, highly hydrophilic gelatin in Pichia pastoris

A custom-designed, highly hydrophilic gelatin was produced inPichia pastoris. Secreted production levels in single-copytransformants were in the range 3–6 g/l of clarified brothand purification to near homogeneity could be accomplished bydifferential ammonium sulfate precipitation. Despite the factthat gelatins are highly susceptible to proteolysis becauseof their unfolded structure, the recombinant protein was shownto be fully intact by SDS–PAGE, N-terminal sequencing,gel filtration chromatography and mass spectrometry. Owing toits highly hydrophilic nature, the migration of the syntheticgelatin in SDS–PAGE was severely delayed. Esterificationof the carboxylic amino acid side chains resulted in normalmigration. The high polarity of the synthetic gelatin also accountsfor its negligible surface activity in water at concentrationsup to 5% (w/v), as determined by tensiometry. Circular dichroismspectrometry showed that the non-hydroxylated gelatin did notform triple helices at 4°C. The spectrum was even more representativeof the random coil conformation than the spectrum of naturalnon-hydroxylated gelatins.     

Selectivity of high surface area Ce0.68Zr0.32O2 for the new generation of TWC under environments with different redox character

A number of experiments were carried out with fresh and aged high surface area Ce_0.68Zr_0.32O₂ mixed oxide samples with complex feed-streams in order to determine their performance as three way catalyst (TWC). The results confirmed the oxygen storage capacity (OSC) of these samples, which favour NO conversion in cycled versus stationary stoichiometric operation. Several experiments carried out with different feed-streams have shown that a pre-reducing treatment can significantly improve both NO reduction at low-temperature and selectivity to N₂, which can be very useful to reduce the emission of nitrogen oxides immediately after starting the automobile. Although a significant reduction of the specific surface area of the mixed oxide takes place during ageing at 1173 K, it has been shown that the performance of the sample remains similar or even better than when fresh, due to an increased OSC. Thus, the reduction of CO and hydrocarbon emissions during start could be achieved by situating the catalytic converter nearer the exhaust to the engine, where the catalyst will be heated faster.     

Averaged Periodogram Spectral Estimation with Long-memory Conditional Heteroscedasticity

The empirical relevance of long-memory conditional heteroscedasticity has emerged in a variety of studies of long time series of high frequency financial measurements. A reassessment of the applicability of existing semiparametric frequency domain tools for the analysis of time dependence and long-run behaviour of time series is therefore warranted. To that end, in this paper the averaged periodogram statistic is analysed in the framework of a generalized linear process with long-memory conditional heteroscedastic innovations according to a model specification first proposed by Robinson (Testing for strong serial correlation and dynamic conditional heteroscedasticity in multiple regression. J. Economet. 47 (1991), 67–84). It is shown that the averaged periodogram estimate of the spectral density of a short-memory process remains asymptotically normal with unchanged asymptotic variance under mild moment conditions, and that for strongly dependent processes Robinson's averaged periodogram estimate of long memory (Semiparametric analysis of long memory time series. Ann. Stat. 22 (1994), 515–39) remains consistent.     

CFD study of non-premixed swirling burners: Effect of turbulence models

This research investigates a numerical simulation of swirling turbulent non-premixed combustion. The effects on the combustion characteristics are examined with three turbulence models: namely as the Reynolds stress model, spectral turbulence analysis and Re-Normalization Group. In addition, the P-1 and discrete ordinate (DO) models are used to simulate the radiative heat transfer in this model. The governing equations associated with the required boundary conditions are solved using the numerical model. The accuracy of this model is validated with the published experimental data and the comparison elucidates that there is a reasonable agreement between the obtained values from this model and the corresponding experimental quantities. Among different models proposed in this research, the Reynolds stress model with the Probability Density Function (PDF) approach is more accurate (nearly up to 50%) than other turbulent models for a swirling flow field. Regarding the effect of radiative heat transfer model, it is observed that the discrete ordinate model is more precise than the P-1 model in anticipating the experimental behavior. This model is able to simulate the subcritical nature of the isothermal flow as well as the size and shape of the internal recirculation induced by the swirl due to combustion.