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Search results for: energy dependence
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Molecular hydrogen solvated in water – A computational study
PublicationThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...
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Structure and properties of liquid Al–Cu alloys: Empirical potentials compared
PublicationWe report on the structure and mass transport properties of liquid Al–Cu alloys predicted by two recently-developed empirical many-body potentials: MEAM (Jelinek et al., 2012) and EAM-ADP (Apostol and Mishin, 2011), and by the well-known Gupta potential. Total and partial pair correlation functions, angular distribution functions, densities, coordination numbers and self-diffusion coefficients are compared with published experimental...
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Growth and Isolation of Large Area Boron‐Doped Nanocrystalline Diamond Sheets: A Route toward Diamond‐on‐Graphene Heterojunction
PublicationMany material device applications would benefit from thin diamond coatings, but current growth techniques, such as chemical vapor deposition (CVD) or atomic layer deposition require high substrate and gas‐phase temperatures that would destroy the device being coated. The development of freestanding, thin boron‐doped diamond nanosheets grown on tantalum foil substrates via microwave plasma‐assisted CVD is reported. These diamond...
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Anisotropic mechanical behavior and auxeticity of penta-graphene: Molecular statics/molecular dynamics studies
PublicationWe investigate the mechanical properties of penta-graphene (PG), a recently proposed two-dimensional carbon allotrope using atomistic simulation techniques combined with the empirical description of interatomic interactions. We report on the dependence of its three in-plane mechanical moduli (i.e. Young's modulus, Poisson's ratio and shear modulus) on the deformation direction, strain and temperature. We show that PG displays a...
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Tailoring structural properties of lanthanum orthoniobates through an isovalent substitution on the Nb-site
PublicationTetragonal polymorph of lanthanum orthoniobate can be stabilized to room temperature by the substitution of Nb with an isovalent element. LaNb1-xAsxO4 (0 < x ≤ 0.3), where As is an element stabilizing tetragonal structure, were successfully synthesized with combined co-precipitation and solid-state reaction method. The phase transition temperature, above which the material has tetragonal structure, decreases linearly with increasing...
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Volumetric incorporation of NV diamond emitters in nanostructured F2 glass magneto-optical fiber probes
PublicationIntegration of optically-active diamond particles with glass fibers is a powerful method of scaling diamond's magnetic sensing functionality. We propose a novel approach for the integration of diamond particles containing nitrogen-vacancy centers directly into the fiber core. The core is fabricated by stacking the preform from 790 soft glass canes, drawn from a single rod dip-coated with submicron diamond particles suspended in...
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Unusual structural properties of water within the hydration shell of hyperactive antifreeze protein
PublicationMany hypotheses can be encountered explaining the mechanism of action of antifreeze proteins. One widespread theory postulates that the similarity of structural properties of solvation water of antifreeze proteins to ice is crucial to the antifreeze activity of these agents. In order to investigate this problem, the structural properties of solvation water of the hyperactive antifreeze protein from Choristoneura fumiferana were...
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Seafloor Characterisation and Imaging Using Multibeam Sonar Data
PublicationThe approach to seafloor characterisation and imaging is presented. It relies on the combined, concurrent use of several techniques of multibeam sonar data processing. The first one is based on constructing the grey-level sonar images of seabed using the backscattering strength calculated for the echoes received in the consecutive beams. Then, the set of parameters describing the local region of sonar image is calculated. The second...
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Multilayer coatings based on cerium oxide and manganese cobaltite spinel for Crofer22APU SOC interconnects
PublicationThe current state of the art steel interconnect coating materials are based on critical raw material - Co-oxide spinels. Replacing Co-oxide spinels with alternative, abundant materials can reduce the dependence on the critical raw materials. Cobalt-free coatings with the general formula Mn2-xCuFexO4, where x = 0, 0.1, 0.3, were electrophoretically deposited on a ferritic stainless-steel support and evaluated. Prior to deposition,...
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Water uptake kinetics and electrical transport in BaCe0.6Zr0.2Y0.1M0.1O3−δ (M = Tb, Pr, Fe) protonic conductors
PublicationBaCe0.6Zr0.2Y0.1M0.1O3−d (M = Fe, Pr, Tb) is a mixed conducting oxide in which three mobile charge carriers – oxygen ion, electron/hole, and protonic defects – are present. These types of materials have gained much interest as electrode materials for protonic ceramic fuel cells (PCFCs) and protonic ceramic electrolysis cells (PCECs). In this study, the water uptake and oxygen transport properties of different BaCe0.6Zr0.2Y0.1M0.1O3−d...
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Decomposition of the induced magnetism degaussing problem for fast determination of currents in demagnetization coils wrapped outside an object under arbitrary external field conditions
PublicationSafe passage of ships in the presence of sea mines can be ensured by limiting or reducing the ship’s magnetic footprint. For vessels with plastic hulls, the main component that requires magnetic damping is the engine. Demagnetization of such an object can be achieved by wrapping it with coils and setting the direct current appropriately. For each specific geographic location, the currents in the coils can be determined iteratively...
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Simple Superstrate Antenna for Connectivity Improvement in Precision Farming Applications
PublicationIn this paper, a concept of a simple circularly polarized antenna with partially reflecting surface (PRS) has been adopted for precision farming applications. The investigation contains an analysis of the dependence of the antenna performance on the elements number in the PRS structure in X- and Ka-band frequencies. Especially meaningful parameters from point-to-point connectivity perspective are...
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Prediction of metal deformation due to line heating; an alternative method of mechanical bending, based on artificial neural network approach
PublicationLine heating is one of the alternative methods of forming metals and this kind of forming uses the heating torch as a source of heat input. During the process, many parameters are considered like the size of the substrate, thickness, cooling method, source power intensity, the travel speed of the power source, the sequence of heating, and so on. It is important to analyze the factors affecting the...
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Comparison of target strength (TS) distributions obtained by means of the use of direct and indirect techniques in sea cages
PublicationThe aim of this study is to verify the reliability of a processing application developed for the indirect measurement of target strength (TS), with a view to the integration into a single-beam system for its utilization in fish farms. Dorsal and ventral measurements are carried out for gilt-head sea-bream (Spams Aurata) for 5 size classes using a split-beam EK60 echosounder and single-beam data obtained from one of the channels...
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Buzz-based honeybee colony fingerprint
PublicationNon-intrusive remote monitoring has its applications in a variety of areas. For industrial surveillance case, devices are capable of detecting anomalies that may threaten machine operation. Similarly, agricultural monitoring devices are used to supervise livestock or provide higher yields. Modern IoT devices are often coupled with Machine Learning models, which provide valuable insights into device operation. However, the data...
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Improved Empirical Coefficients for Estimating Water Vapor Weighted Mean Temperature over Europe for GNSS Applications
PublicationDevelopment of the so-called global navigation satellite system (GNSS) meteorology is based on the possibility of determining a precipitable water vapor (PWV) from a GNSS zenith wet delay (ZWD). Conversion of ZWD to the PWV requires application of water vapor weighted mean temperature (Tm) measurements, which can be done using a surface temperature (Ts) and its linear dependency to the Tm. In this study we analyzed up to 24 years...
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Fatty acyl benzamido antibacterials based on inhibition of DnaK-catalyzed protein folding
PublicationWe have reported that the hsp70 chaperone DnaK from Escherichia coli might assist protein folding by catalyzing the cis/trans isomerization of secondary amide peptide bonds in unfolded or partially folded proteins. In this study a series of fatty acylated benzamido inhibitors of the cis/trans isomerase activity of DnaK was developed and tested for antibacterial effects in E. coli MC4100 cells. Nα-[Tetradecanoyl-(4-aminomethylbenzoyl)]-l-asparagine...
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Transport properties of microemulsions with ionic liquid apolar domains as a function of ionic liquid content
PublicationThe specific conductivity, dynamic viscosity and apparent diffusion coefficient of each of four aqueous ionic liquid microemulsions (IL-MEs) were measured as a function of ionic liquid (IL) content. The investigated systems were composed of water, hydrophobic ILs (1-butyl-3-methylimidazolium hexafluorophosphate or bis(trifluoromethanesulphonyl)imide) and the nonionic surfactant Triton X-100 or its mixture with cosurfactant (butanol)....
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Electronic conductivity in the SiO2-PbO-Fe2O3 glass containing magnetic nanostructures
PublicationThe linear impedance spectra of iron–silicate–lead glass samples were measured in the frequency range from 1 MHz to 1 MHz and in the temperature range from 153 K to 423 K. The structure was investigated by means of XRD and atomic force microscopy. Local electrical and magnetic properties of the samples were tested with the aid of electrostatic force microscopy (EFM) and magnetic force microscopy (MFM). The obtained results show...
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Modeling by finite element methods of impact of erosion on frequency of normal modes of L-0 blade
PublicationAfter some time of exploitation steam turbine rotors blades in energetic industry they are being eroded and also their frequency of normal modes is changed. Those changes can cause to unwanted shift of blades normal mode frequencies. It is necessary to find quick method of rating changes of frequency in connection of mass loss due erosion. The evaluation of this dependence was made by finite element modeling method using HyperWorks...
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Stiffness of cold-recycled mixtures under variable deformation conditions in the IT-CY test
PublicationStiffness modulus belongs to the most important properties describing the cold-recycled mixtures (CRM) in terms of their usability in road pavement structures. Previous research proved that this property is strongly dependent on the scheme and conditions of the test (temperature and time of loading) and the time that has passed since the compaction of the specimen or pavement layer. It is a result of the influence of two different...
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Linear viscoelastic transversely isotropic model based on the spectral decomposition of elasticity tensors
PublicationThe linear viscoelasticity is still a useful model in the engineering for studying the behavior of materials loaded with different loading rates (frequencies). Certain types of materials reveal also an anisotropic behavior: fiber reinforced composites, asphalt concrete mixtures, or wood, to name a few. In general, researchers try to identify experimentally the dependence of engineering constants like: directional Young’s moduli...
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Iridium 5d -electron driven superconductivity in ThIr3
PublicationA polycrystalline sample of superconducting ThI r 3 was obtained by arc-melting Th and Ir metals. Powder x-ray diffraction revealed that the compound crystalizes in a rhombohedral crystal structure (R-3m, s.g. #166) with the lattice parameters: a = 5.3394 ( 1 ) Å and c = 26.4228 ( 8 ) Å . Normal and superconducting states were studied by magnetic susceptibility, electrical resistivity, and heat capacity measurements. The results...
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Silicon oxycarbide ceramics as anodes for lithium ion batteries: influence of carbon content on lithium storage capacity
PublicationWe report here on the synthesis and characterization of silicon oxycarbide (SiOC) in view of its application as a potential anode material for Li-ion batteries. SiOC ceramics are obtained by pyrolysis of various polysiloxanes synthesized by sol–gel methods. The polysiloxanes contain different organic groups attached to silicon, which influence the chemical composition and the microstructure of the final ceramic product. The structure...
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Development Of Dynamic Method For Evaluation Of Corrosion Rate On The Example Of Organic Corrosion İnhibitor
PublicationMeasurements of the corrosion rate belong to the most important aspects of materials science. In order to reduce material loss corrosion inhibitors are used. However selection of proper inhibitor should be based on evaluation of its mechanism and effective concentrations. Mechanism of inhibition usually has dynamic character so physicochemical parameters are changing in time. Most of actually used methods...
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In-depth characterization of icosahedral ordering in liquid copper
PublicationThe presence of icosahedral ordering in liquid copper at temperatures close to the melting point is now well-established both experimentally and through computer simulation. However, a more elaborate analysis of local icosahedral and icosahedron-like structures, together with a system for classifying such structures based on some measure of "icosahedrity", has so far been conspicuously absent in the literature. Similarly, the dynamics...
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TiO 2 Co x O y composite nanotube arrays via one step electrochemical anodization for visible light–induced photocatalytic reaction
PublicationTiO2CoxOy (x = 1, y = 1 or x = 3, y = 4) composite photocatalysts have been synthesized via one step anodic anodization of TiCo alloys. The effects of the cobalt content in the alloy (5, 10 and 15 wt%), water content (2, 5 and 10%) in the electrolyte solution, and applied voltage (30, 40 and 50 V) during the anodization process on the morphology and surface properties. Additionally, the dependence of cobalt content in the nanotubes...
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Interspecies distances between propionic acid degraders and methanogens in syntrophic consortia for optimal hydrogen transfer
PublicationA mixed culture from an anaerobic biowaste digester was enriched on propionate and used to investigate interspecies hydrogen transfer in dependence of spatial distances between propionate degraders and methanogens. From 20.3 mM propionate, 20.8 mM acetate and 15.5 mM methane were formed. Maximum specific propionate oxidation and methane formation rates were 49 and 23 mmol mg−1day−1, respectively. Propionate oxidation was inhibited by...
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Study on extraction and characterization of anchote (Coccinia abyssinica) starch and reinforced enset (Ensete ventricosum) fiber for the production of reinforced bioplastic film
PublicationPopulation expansion is causing an increase in dependence on plastic materials. The worst aspects of conventional plastics were their inability to biodegrade, their poor capacity to transmit water vapor, and their production of greenhouse gases. Usages of bioplastics are necessary for the advancement of a green economy and environment in order to eradicate these drawbacks of traditional plastics. In this study, reinforced bioplastic...
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FEM simulations applied to the failure analysis of RC structure under the influence of municipal sewage pressure
PublicationThe paper discusses a failure mechanism of reinforced concrete (RC) structure with steel cover that failed under the influence of municipal sewage pressure. To explain the reasons of failure, in-situ measurements, laboratory experiments and comprehensive Finite Element Method (FEM) computations were performed. Non-destructive in-situ scanning tests were carried out to determine quantity and cover thickness of embedded reinforcement...
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How the Dimensions of Plant Filler Particles Affect the Oxidation-Resistant Characteristics of Polyethylene-Based Composite Materials
PublicationThis study analyzed the possibility of using plant-originated waste materials (black and green tea dust) as functional polyethylene fillers. The dependence between the size of the filler particles and their antioxidant potential is discussed. Six fractions were selected: below 50 µm, 50–100 µm, 100–200 µm, 200–400 µm, 400–630 µm and 630–800 µm. Significant differences between the effect of particle size and the antioxidant properties...
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CONDITIONING FACTORS OF INDUSTRY-UNIVERSITY COOPERATION FROM THE PERSPECTIVE OF ENTERPRISES
PublicationThe cooperation between enterprises and universities varies in terms of character and intensity. Bearing in mind the potential represented by both parties, its low intensity is still noticed, and consequently, the lack or incomplete use of opportunities resulting from this cooperation. Current factors of industry-university cooperation were identified from the perspective of companies from biotechnology and pharmaceutical...
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Globalized Parametric Optimization of Microwave Passive Components Using Simplex-Based Surrogates
PublicationOptimization-based parameter adjustment involving full-wave electromagnetic (EM) simulation models is a crucial stage of present-day microwave design process. In fact, rigorous optimization is the only reliable mean permitting to simultaneously handle multiple geometry/material parameters, objectives, and constraints. Unfortunately, EM-driven design is a computationally intensive endeavor. While local tuning is usually manageable,...
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Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study
PublicationThe variable configuration of Raman spectroscopic platforms is one of the major obstacles in establishing Raman spectroscopy as a valuable physicochemical method within real-world scenarios such as clinical diagnostics. For such real world applications like diagnostic classification, the models should ideally be usable to predict data from different setups. Whether it is done by training a rugged model with data from many setups...
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Surface modification of PMMA polymer and its composites with PC61BM fullerene derivative using an atmospheric pressure microwave argon plasma sheet
PublicationThis paper presents the results of experimental investigations of the plasma surface modification of a poly(methyl methacrylate) (PMMA) polymer and PMMA composites with a [6,6]-phenyl-C61-butyric acid methyl ester fullerene derivative (PC61BM). An atmospheric pressure microwave (2.45 GHz) argon plasma sheet was used. The experimental parameters were: an argon (Ar) flow rate (up to 20 NL/min), microwave power (up to 530 W), number...
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ADAPTATION OF THE ACTIVATED SLUDGE TO THE DIGESTATE LIQUORS DURING THE NITRIFICATION AND DENITRIFICATION PROCESSES
PublicationThe activated sludge process of the digestate liquors after chemical separation was conducted using a 10 L lab-scale sequencing batch reactor (SBR) and a 0.50 m3 pilotscale SBR independently (with pH control). Due to the relatively high concentration of free ammonia (FA), clear inhibitory effects of the digestate liquors on the nitrifying bacteria were observed. The adaptation of the activated sludge to the toxicity was evaluated...
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Earthquake-Induced Pounding of Medium-to-High-Rise Base-Isolated Buildings
PublicationDuring earthquakes, out-of-phase vibrations in adjacent buildings with limited distance may cause pounding between them. In recent years, the use of seismic isolation has expanded considerably as an effective approach to reduce seismic damage. However, the isolated building experiences large displacements during earthquakes, and there is a possibility of collisions with adjacent structures. The research on earthquake-induced pounding...
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Inverse Nonlinear Eigenvalue Problem Framework for the Synthesis of Coupled-Resonator Filters With Nonresonant Nodes and Arbitrary Frequency-Variant Reactive Couplings
PublicationA novel, general circuit-level description of coupledresonator microwave filters is introduced in this article. Unlike well-established coupling-matrix models based on frequency-invariant couplings or linear frequency-variant couplings (LFVCs), a model with arbitrary reactive frequencyvariant coupling (AFVC) networks is proposed. The engineered formulation is more general than prior-art ones—with the only restriction that the coupling...
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Tree rings as an indicator of atmospheric pollutant deposition to subalpine spruce forests in the Sudetes (Southern Poland)
PublicationIn spite of their moderate altitude (1000–1600m a.s.l.), the Western SudetyMountains belong to areas with the most efficient fog precipitation in Europe. Intense industrial activity in the area of windward western foothills caused an exceptional intensification of atmospheric pollutant deposition via precipitation and fog to take place since the 1950s. In the second half of the 1970s a massive spruce forest dieback began affecting...
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The accretion of the new ice layer on the surface of hexagonal ice crystal and the influence of the local electric field on this process
PublicationThe process of creation of a new layer of ice on the basal plane and on the prism plane of a hexagonal ice crystal is analyzed. It is demonstrated that the ordering of water molecules in the already existing crystal affects the freezing. On the basal plane, when the orientations of water molecules in the ice block are random, the arrangement of the new layer in a cubic manner is observed more frequently — approximately 1.7 times...
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Justification of models of changing project environment for harvesting grain, oilseed and legume crops
PublicationAn analysis of the condition of implementation of projects in agricultural production is carried out. The disadvantages of existing methods and models of planning of the content and time of execution of works in the projects, which mostly do not take into account the changing components of their project environment, are substantiated. The proposed methodology for justifying the models of a changing project environment for harvesting...
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Investigation on air quality of specific indoor environments—spa salons located in Gdynia, Poland
PublicationDue to excessive application of essential oils and scented products in spa salons during aromatherapy and massage sessions, the elevated concentration of total volatile organic compounds (TVOCs), particularly terpenes, which are known as secondary organic aerosol (SOA) precursors, is expected there. This study was aimed at determination of VOCs with a particular regard to terpenes in air samples collected in selected spa salons...
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Quenching effects in organic electroluminescence
PublicationWe examine various electronic processes that underlie the quenching of the emission from highly efficient phosphorescent and electrophosphorescent organic solid-state molecular systems. As an example, we study the luminescent efficiencies from the phosphorescent iridium (III) complex, fac tris (2-phenylpyridine) iridium [(Ir (ppy)3] doped into a diamine derivative doped polycarbonate hole-transporting matrix and in the form...
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Data-driven Models for Predicting Compressive Strength of 3D-printed Fiber-Reinforced Concrete using Interpretable Machine Learning Algorithms
Publication3D printing technology is growing swiftly in the construction sector due to its numerous benefits, such as intricate designs, quicker construction, waste reduction, environmental friendliness, cost savings, and enhanced safety. Nevertheless, optimizing the concrete mix for 3D printing is a challenging task due to the numerous factors involved, requiring extensive experimentation. Therefore, this study used three machine learning...
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Expedited Machine-Learning-Based Global Design Optimization of Antenna Systems Using Response Features and Multi-Fidelity EM Analysis
PublicationThe design of antenna systems poses a significant challenge due to stringent per-formance requirements dictated by contemporary applications and the high com-putational costs associated with models, particularly full-wave electromagnetic (EM) analysis. Presently, EM simulation plays a crucial role in all design phases, encompassing topology development, parametric studies, and the final adjustment of antenna dimensions. The latter...
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Which transport policies increase physical activity of the whole of society? A systematic review
PublicationPurpose: There is strong evidence of the links between car-dependence and the physical inactivity pandemic. Physical inactivity accounts for 6–10% of major non-communicable diseases. Research consistently shows that unlike passive transport, active transport is associated with higher total daily physical activity (PA). While there are public policies that support PA in transport and, as a result, overall PA levels, the specific...
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Investigation of noises in the EPN weekly time series
PublicationThe constantly growing needs of permanent stati ons’ velocities users cause their stability level to increase. To this research we included more than 150 stations located across Europe operating within the EUREF Permanent Network (EPN) w ith weekly changes in the ITRF2005 reference frame. The obvious long-range dependencies in the stochastic part of GPS time series were p roven by Ljung-Box...
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From structure to luminescence investigation of oxyfluoride transparent glasses and glass-ceramics doped with Eu3+/Dy3+ ions
PublicationGlasses and glass-ceramics with nominal composition 73 TeO2– 4BaO– 3Bi2O3–18SrF2-2RE2O3 (where RE = Eu, Dy) have been synthesized by conventional melt-quenching technique and subsequent heat treatment at 370 °C for 24 h in air atmosphere. Various Eu3+ to Dy3+ molar ratio have been applied to investigate luminescence properties in both glass and glass-ceramic matrices. Especially, white light emission through simultaneous excitation...
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Modelling of subarachnoid space width changes in apnoea resulting as a function of blood flow parameters
PublicationDuring apnoea, the pial artery is subjected to two opposite physiological processes: vasoconstriction due to elevated blood pressure and vasorelaxation driven by rising pH in the brain parenchyma. We hypothesized that the pial artery response to apnoea may vary, depending on which process dominate. Apnoea experiments were performed in a group of 19 healthy, non-smoking volunteers (9 men and 10 women). The following parameters...
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Raman Scattering versus Strain Engineering in Phosphorene Nanostructures: An Ab Initio Studies
PublicationThe one-dimensional nanoribbons made from phosphorene are novel structures with great applicability potential in material science. The significant carrier mobility combined with intrinsic semiconductor properties makes them ideal for application in electronics, and they are excellent candidates for sensing material. The lack of a well–established multiscale modelling strategy for phosphorene nano optoelectronic devices is one of...