18O-tracer diffusion along nanoscaled Sc2O3/yttria stabilized zirconia (YSZ) multilayers: on the influence of strain

Abstract

The oxygen tracer diffusion coefficient describing transport along nano-/microscaled YSZ/Sc₂O₃ multilayers as a function of the thick­ness of the ion-conducting YSZ layers has been measured by isotope exchange depth profiling (IEDP), using secondary ion mass spec­trometry (SIMS). The multilayer samples were prepared by pulsed laser deposition (PLD) on (0001) Al₂O₃ single crystalline substrates. The values for the oxygen tracer diffusion coefficient were analyzed as a combination of contributions from bulk and interface contributions and compared with results from YSZ/Y₂O₃-multilayers with similar microstructure. Using the Nernst–Einstein equation as the relation between diffusivity and electrical conductivity we find very good agreement between conductivity and diffusion data, and we exclude substantial electronic conductivity in the multilayers. The effect of hetero-interface transport can be well explained by a simple interface strain model. As the multilayer samples consist of columnar film crystallites with a defined inter­face structure and texture, we also discuss the influence of this particular microstructure on the interfacial strain.     

Inverse spectral problems for impulsive Dirac operators with spectral parameters contained in the boundary and discontinuity conditions polynomially

An inverse spectral problem is studied for Dirac operators with discontinuities in the case when an spectral parameter appears not only in the differential equation but also in the one of boundary condition and jump conditions, polynomially.     

Hot-air optical turbulence generator for the testing of adaptive optics systems: principles and characterization

A statistically repeatable, hot-air optical turbulence generator, based on the forced mixing of two air flows with different temperatures, is described. Characterization results show that it is possible to generate any turbulence strength up to CN2 Dh approximately 6 x 10(-10) m1/3, allowing a ratio of beam diameter to Fried's parameter as large as D/r0 approximately 25 for one crossing through the turbulator or D/r0 approximately 38 for two crossings. The outer scale (L0 approximately 133 +/- 60 mm) is found to be compatible with the turbulator mixing chamber size (170 mm), and the inner scale (l0 approximately 7.6 +/- 3.8 mm) is compatible with the values in the literature for the free atmosphere. The temporal power spectrum analysis of the centroid of the focused image shows good agreement with Kolmogorov's theory. Therefore the device can be used with confidence to emulate realistic turbulence in a controlled manner. A calibrated CN2 profile, both in layer altitude and strength, is necessary for the testing of off-axis adaptive optics correction (multiconjugate adaptive optics). Testing was done to calibrate the CN2 profile using the slope detection and ranging technique. The first results, with only one layer, show the validity of the approach and indicate that a multiple-pass scheme is viable with a few modifications of the current setup.     

The microwave-assisted synthesis and characterization of novel metal-free and metallophthalocyanines peripherally fused to four 13-membered diazadithia macrocycles

The novel tetrasubstituted metal-free phthalocyanine and metallophthalocyanines 7, bearing four 13-membered diazadithia macrocycle moieties at peripheral positions were synthesized by cyclotetramerization of the corresponding phthalonitrile derivative in a multi-step reaction sequence. The metal-free phthalocyanine was synthesized by microwave irradiation of the corresponding dicyano compound in 2-(dimethylamino)ethanol for 10 min. Metallophthalocyanines were obtained from the respective dicyano derivative and corresponding anhydrous metal salts NiCl₂ and ZnCl₂, CoCl₂, CuCl₂, respectively, by microwave irradiation in 2-(dimethylamino)ethanol at 175 °C, 350 W for 10 min. The new compounds were characterized by a combination of IR, ¹H NMR, ¹³C NMR, UV–vis, elemental analysis and MS spectral data.     

Mechanical performance of low cement reactive powder concrete (LCRPC)

The possibility of producing a reactive powder concrete (RPC) with low cement content was aimed in the scope of this study. Cement was replaced with class-C fly ash (FA) up to 60% for this purpose. Three different curing conditions (standard water curing, autoclave curing and steam curing) were applied to specimens. Two series of RPC composites were prepared with bauxite and granite aggregates. Mechanical properties such as compressive strength, splitting tensile strength, flexural strength and fracture energy of composites were investigated. Test results showed that, compressive strength of 200 MPa can be reached with low cement by using high-volume fly ash. Thermally treated specimens showed compressive strength beyond 250 MPa and high volume fly ash RPC have superior performance. Furthermore, compressive strength values reached up to 400 MPa with external pressure application during setting and hardening stages.     

Atomically detailed models of gas mixture diffusion through CuBTC membranes

Metal–organic frameworks are intriguing crystalline nanoporous materials that have potential applications in adsorption-based and membrane-based gas separations. We describe atomically detailed simulations of gas adsorption and diffusion in CuBTC that have been used to predict the performance of CuBTC membranes for separation of H₂/CH₄, CO₂/CH₄ and CO₂/H₂ mixtures. CuBTC membranes are predicted to have higher selectivities for all three mixtures than MOF-5 membranes, the only other metal–organic framework material for which detailed predictions of membrane selectivities have been made. Our results give insight into the physical properties that will be desirable in tuning the pore structure of MOFs for specific membrane-based separations.     

Empirical solvent-mediated potentials hold for both intra-molecular and inter-molecular inter-residue interactions

Whether knowledge-based intra-molecular inter-residue potentials are valid to represent inter-molecular interactions taking place at protein-protein interfaces has been questioned in several studies. Differences in the chain connectivity effect and in residue packing geometry between interfaces and single chain monomers have been pointed out as possible sources of distinct energetics for the two cases. In the present study, the interfacial regions of protein-protein complexes are examined to extract inter-molecular inter-residue potentials, using the same statistical methods as those previously adopted for intra-molecular residue pairs. Two sets of energy parameters are derived, corresponding to solvent-mediation and "average residue" mediation. The former set is shown to be highly correlated (correlation coefficient 0.89) with that previously obtained for inter-residue interactions within single chain monomers, while the latter exhibits a weaker correlation (0.69) with its intra-molecular counterpart. In addition to the close similarity of intra- and inter-molecular solvent-mediated potentials, they are shown to be significantly more residue-specific and thereby discriminative compared to the residue-mediated ones, indicating that solvent-mediation plays a major role in controlling the effective inter-residue interactions, either at interfaces, or within single monomers. Based on this observation, a reduced set of energy parameters comprising 20 one-body and 3 two-body terms is proposed (as opposed to the 20 x 20 tables of inter-residue potentials), which reproduces the conventional 20 x 20 tables with a correlation coefficient of 0.99.     

Integration of strategic and tactical decisions for vendor selection under capacity constraints

We examine a generalized vendor selection problem of a multi-store firm where the goal is the simultaneous determination of (i) the set of vendors the firm should work with and (ii) how much each store should order from the selected vendors. In addition to the typical costs associated with vendor selection and delivery between the vendors and their assigned stores, we explicitly consider the inventory-related costs and decisions of the stores. We emphasize the relationship between facility location applications and the problem at hand, and we propose an integrated vendor selection and inventory optimization model. Also, arguing that our model creates a venue for precise incorporation of realistic capacity constraints, we model throughput and dispatch capacities, explicitly. The model is a challenging mixed integer nonlinear program for which we propose an efficient solution approach that relies on Generalized Benders Decomposition (GBD).     

Fall detection using single-tree complex wavelet transform

The goal of Ambient Assisted Living (AAL) research is to improve the quality of life of the elderly and handicapped people and help them maintain an independent lifestyle with the use of sensors, signal processing and telecommunications infrastructure. Unusual human activity detection such as fall detection has important applications. In this paper, a fall detection algorithm for a low cost AAL system using vibration and passive infrared (PIR) sensors is proposed. The single-tree complex wavelet transform (ST-C$\mathbb{C}$WT) is used for feature extraction from vibration sensor signal. The proposed feature extraction scheme is compared to discrete Fourier transform and mel-frequency cepstrum coefficients based feature extraction methods. Vibration signal features are classified into “fall” and “ordinary activity” classes using Euclidean distance, Mahalanobis distance, and support vector machine (SVM) classifiers, and they are compared to each other. The PIR sensor is used for the detection of a moving person in a region of interest. The proposed system works in real-time on a standard personal computer.