Hamiltonian direct differentiation and adjoint approaches for multibody system sensitivity analysis

The design of multibody systems involves high fidelity and reliable techniques and formulations that should help the analyst to make reasonable decisions. Given that constrained equations of motion for the simplest of multibody systems are highly nonlinear, determining the sensitivity terms is a computationally intensive and complex process that requires the application of special procedures. In this article, two novel Hamiltonian-based approaches are presented for efficient sensitivity analysis of general multibody systems. The developed direct differentiation and the adjoint methods are based on constrained Hamilton's canonical equations of motion. This formulation provides solutions, which are more stable as compared to the results of direct integration of equations of motion expressed in terms of accelerations due to a reduced differential index of the underlying system of differential-algebraic equations and explicit constraint imposition at the velocity level.The proposed Hamiltonian based methods are both capable of calculating the sensitivity derivatives and keeping the growth of constraint violation errors at a reasonable rate. The Hamiltonian-based procedures derived herein appear to be good alternatives to existing methods for sensitivity analysis of general multibody systems.     

s-Wave vs.d -Wave Superconductivity in the Two-Dimensional Hubbard Model

The anisotropic superconductivity has been considered in the two-dimensional Hubbard model. We allow for on and off-site intralayer Cooper pairs. Interlayer momentum-conserving Josephson tunneling which couples adjacent layers has been taken into account. The meanfield solution for the superconducting transition temperature demonstrates the competition between local Coulomb repulsion and interlayer tunneling in thes-wave channel. This competition leads to the mixedsd superconducting state at low doping. We also demonstrate thatc-phonon-assisted transitions between intra and interlayer states can effectively give rise to momentum-conserving Josephson tunneling.     

DRYING OF WASTE SLUDGES IN A FLUIDIZED BED DRYER WITH A MIXER

Sludge wastes are a very attractive source of many valuable compounds such as nitrogen, phosphorus and organic matter. One of the interesting methods of sludge utilization is dewatering and drying. In this paper some problems of drying of two types of sludge wastes of different form and origin are presented. One of the sludges—a brewery by-product— contains spent grain suspension of brewer's yeast and diatomaceous earth. The second one is a by-product of a biotechnological process which contains mainly lime, protein, many microelements and some microorganisms. Moisture content of both sludges is about 65-70% w/w. The laboratory experiments of sludge drying in the fluidized bed dryer with a mixer, fluidized bed hydrodynamics, and the effects and advantages of sludge drying are shown.     

Optical properties of the Al2O3/SiO2 and Al2O3/HfO2/SiO2 antireflective coatings

Investigations of bilayer and trilayer Al₂O₃/SiO₂ and Al₂O₃/HfO₂/SiO₂ antireflective coatings are presented in this paper. The oxide films were deposited on a heated quartz glass by e-gun evaporation in a vacuum of 5 × 10^?3 [Pa] in the presence of oxygen. Depositions were performed at three different temperatures of the substrates: 100 °C, 200 °C and 300 °C. The coatings were deposited onto optical quartz glass (Corning HPFS). The thickness and deposition rate were controlled with Inficon XTC/2 thickness measuring system. Deposition rate was equal to 0.6 nm/s for Al₂O₃, 0.6 nm ? 0.8 nm/s for HfO₂ and 0.6 nm/s for SiO₂. Simulations leading to optimization of the thin film thickness and the experimental results of optical measurements, which were carried out during and after the deposition process, have been presented. The optical thickness values, obtained from the measurements performed during the deposition process were as follows: 78 nm/78 nm for Al₂O₃/SiO₂ and 78 nm/156 nm/78 nm for Al₂O₃/HfO₂/SiO₂. The results were then checked by ellipsometric technique. Reflectance of the films depended on the substrate temperature during the deposition process. Starting from 240 nm to the beginning of visible region, the average reflectance of the trilayer system was below 1 % and for the bilayer, minima of the reflectance were equal to 1.6 %, 1.15 % and 0.8 % for deposition temperatures of 100 °C, 200 °C and 300 °C, respectively.     

Support for argument structures review and assessment

Argument structures are commonly used to develop and present cases for safety, security and for other properties of systems. Such structures tend to grow excessively, which causes problems with their review and assessment. Two issues are of particular interest: (1) systematic and explicit assessment of the compelling power of an argument, and (2) communication of the result of such an assessment to relevant recipients. The paper presents a solution to these problems. The method of Visual Assessment of Arguments (VAA), being this solution, is based on the Dempster-Shafer theory of evidence applied to the assessment of the strength of arguments, and a visual mechanism of issuing and presenting assessments, supported by the so-called opinion triangle. In the paper we explain theoretical grounding for the method and provide guidance on its application. The results of some validation experiments are also presented.     

Properties,Physiological Functions and Involvement of Basidiomycetous Alcohol Oxidase in Wood Degradation

Extensive research efforts have been devoted to describing yeast alcohol oxidase (AO) and its promoter region, which is vastly applied in studies of heterologous gene expression. However, little is known about basidiomycetous AO and its physiological role in wood degradation. This review describes several alcohol oxidases from both white and brown rot fungi, highlighting their physicochemical and kinetic properties. Moreover, the review presents a detailed analysis of available AO-encoding gene promoter regions in basidiomycetous fungi with a discussion of the manipulations of culture conditions in relation to the modification of alcohol oxidase gene expression and changes in enzyme production. The analysis of reactions catalyzed by lignin-modifying enzymes (LME) and certain lignin auxiliary enzymes (LDA) elucidated the possible involvement of alcohol oxidase in the degradation of derivatives of this polymer. Combined data on lignin degradation pathways suggest that basidiomycetous AO is important in secondary reactions during lignin decomposition by wood degrading fungi. With numerous alcoholic substrates, the enzyme is probably engaged in a variety of catalytic reactions leading to the detoxification of compounds produced in lignin degradation processes and their utilization as a carbon source by fungal mycelium.     

Computational Pipeline for Reference-Free Comparative Analysis of RNA 3D Structures Applied to SARS-CoV-2 UTR Models

RNA is a unique biomolecule that is involved in a variety of fundamental biological functions, all of which depend solely on its structure and dynamics. Since the experimental determination of crystal RNA structures is laborious, computational 3D structure prediction methods are experiencing an ongoing and thriving development. Such methods can lead to many models; thus, it is necessary to build comparisons and extract common structural motifs for further medical or biological studies. Here, we introduce a computational pipeline dedicated to reference-free high-throughput comparative analysis of 3D RNA structures. We show its application in the RNA-Puzzles challenge, in which five participating groups attempted to predict the three-dimensional structures of 5′- and 3′-untranslated regions (UTRs) of the SARS-CoV-2 genome. We report the results of this puzzle and discuss the structural motifs obtained from the analysis. All simulated models and tools incorporated into the pipeline are open to scientific and academic use.     

Analysis of emptiness (lacunarity) as a measure of the degree of space filling and of the internal structure of a set

The study presents a comparative evaluation of emptiness (lacunarity) in model structures with different types of inhomogeneity of dispersed particle distributions. The research on emptiness (lacunarity) as a measure of the degree of space filling and, at the same time, of the internal characterization of a set has been based on the optimal covering and gliding-box methods.     

River, reservoir and lake sediment contamination by heavy metals downstream from urban areas of Switzerland

This paper quantifies sediment contamination by heavy metals in four reservoirs and one lake located downstream from major urban areas in Switzerland. The waterbodies include the Wettingen Reservoir (located on the Limmat River downstream from Zürich), the Klingnau Reservoir (on the lower Aare River), the Wohlen Reservoir (downstream from Berne), the Verbois Reservoir (downstream from Geneva) and Vidy Bay (Lake Geneva, city of Lausanne). For all sediment cores and contaminants, a trend is observed from high contaminant values in the lower part of the cores, decreasing to lower concentrations in the upper part of the cores. However, for each site and each element, specific features are recognized. Applying the criteria of the Swiss ordinance on soil protection, all sediment cores must be classified as contaminated by one or more contaminants and at variable levels. From these data, it is concluded that: reservoirs and lakes located downstream from major urban centres in Switzerland have accumulated significant volumes of contaminated sediments in the past, representing the largest, but not the most intensely, contaminated sites on a national scale; the main environmental risk is remobilization of the contaminants and their return to the food chain, particularly by infiltration into the groundwater; and although the processes of remobilization are identified, the conditions of occurrence and the amplitude of the processes are still poorly known. Different options of reservoir and lake sediment management also are discussed and further research topics defined.