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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublikacjaAbstract - We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurface of the electronic density according to the formula of Fattebert and Gygi (J. Comput. Chem., 23 (2002) 662). While this model depends on only two parameters, we demonstrate...
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Spatial pattern of ASG-EUPOS sites
PublikacjaThe article presents the spatial pattern analysis of the ASG-EUPOS permanent GNSS stations in Poland. Using different methods and tools (nearest neighbour, Riplay’s K-function, morphology of Thiessen polygons) we proved that the station distribution model changes within scales. At short distances up to 65 km, which are typical lengths in the network, stations are irregularly dispersed. Increasing this distance to 130 km and over...
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Structural and catalytic properties of ceria layers doped with transition metals for SOFCs fueled by biogas
PublikacjaThe aim of this paper was to investigate an influence of the nanocrystalline Ce0.8A0.2O2-δ (A = Mn, Fe, Co, Ni, Cu) materials on the direct internal reforming of biogas in SOFC. Structural analysis of fabricated compounds has been done. An in-situ analysis of a composition of outlet gases from operating SOFC was performed using FTIR spectroscopy with simultaneous electrical tests. It was found out, that type of dopant strongly...
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Foamed Polyurethane Composites With Different Types of Ash – Morphological, Mechanical and Thermal Behavior Assessments
Publikacjancorporation of two types of ash particles into flexible polyurethane foams has been investigated, wood ash from gasification process and fly ash resulting from coal burning in power plant. Samples were modified with 5, 10 and 15 wt% of fillers. Structure, mechanical and thermal properties of obtained foams were investigated. Incorporation of both types of ash particles resulted in materials showing...
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Strategien der NSZZ Solidarność. Ein kurzer Abriss über bewährte Verfahrensweisen
PublikacjaDuring the recent years, the difficulties faced by trade unions to maintain their representation base and capacity to regulate employment relations have provoked numerous discussions. The issue of declining trade union membership, as well as density, has been repeatedly addressed by major trade unions including NSZZ “S”.
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Large‐Scale Traveling Ionospheric Disturbances Over the European Sector During the Geomagnetic Storm on March 23–24, 2023: Energy Deposition in the Source Regions and the Propagation Characteristics
PublikacjaMultiple Large-Scale Traveling Ionospheric Disturbances (LSTIDs) are observed in the European sector in both day-time and night-time during the magnetic storm on March 23–24, 2023. The Total Electron Content (TEC) observation from a network of GNSS receivers shows the propagation of LSTIDs with amplitudes between around 0.5 and 1 TECU originating from auroral and polar cusp regions down to southern Europe (35°N) with velocities...
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Utilization of shale cuttings in production of lightweight aggregates
PublikacjaThe development of technologies for unconventional hydrocarbon exploration requires designing procedures to manage drilling waste that are consistent with the waste management hierarchy. In view of this, the possibility to apply shale drill cuttings as a prospective additive (replacing bentonite) to fly ash used for the production of lightweight aggregates (LWAs) was investigated. Moreover, a facile, waste-free method of LWAs production...
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Nucleation and growth of CVD diamond on fused silica optical fibres with titanium dioxide interlayer
PublikacjaNucleation and growth processes of thin diamond films on fused silica optical fibres have been investigated. Fibres were coated with diamond film using microwave plasma enhanced chemical vapour deposition (µPE CVD) system. Since the growth of diamond on the fused silica glass requires high seeding density, two types of glass pre-treatment were applied: titanium dioxide (TiO2) interlayer deposition and sonication in nanodiamond...
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Enhanced Charge Storage Mechanism And Long-Term Cycling Stability In Diamondized Titania Nanocomposite Supercapacitors Operating In Aqueous Electrolytes
PublikacjaThe long cycle life stability jointly with high energy density are limiting broader feasible applications of supercapacitors. The novel diamondized titania nanocomposite supercapacitors deliver high power and energy densities along with high capacitance retention rates. Supercapacitor electrodes were fabricated utilizing a combination of Ti anodization followed by chemical vapor deposition resulting in simultaneous growth of complex...
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Removal of diphenols using pine biochar. Kinetics, equilibrium, thermodynamics, and mechanism of uptake
PublikacjaThermal pyrolysis synthesized activated biochar from the Pinus elliottii sawdust (PS) at 600° C. The obtained activated biochar (PB600) was used for the removal of three diphenols, catechol (CAT), resorcinol (RES), and hydroquinone (HYD), which are utilized mainly in different industries. The PB600 was characterized by several analytical techniques. The BET surface area of 1473 m2.g−1 and a total pore volume of 0.707 cm3 g−1 was...
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Interactions of PDA tetramers with the Au surfaces
Dane BadawczeThis dataset contains electrostatic difference potential (EDP) maps, density of states (DOS) spectra, and adsorption geometries of cyclic tetramers on the Au surface. The real polydopamine was modelled either as the cyclic tetramers in the oxidised (indolequinone, IQ) and reduced (dihydroxyindole, DHI) chemistries with all units being the same - either...
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Interaction between acoustic and non-acoustic mode in bubbly liquid
PublikacjaThe nonlinear interaction of acoustic and entropy modes in a bubbly liquid is the subject of investigation. Thedynamic equation governing an excess density of the entropy mode is derived. Nonlinearity and dispersion are the reasons forexcitation of the entropy mode. The nonlinear interaction of modes as a reason for bubble to grow due to sound, is discovered.Some numerical examples of the modes interactions are made.
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Influence of friction stir welding technological parameters on the properties of the joints of selected aluminum alloys
PublikacjaThe purpose of this dissertation was to determine the effect of friction stir welding technological parameters on the properties of selected aluminum alloy joints, with consideration of the residual stresses and dislocation density in the joints. The goal of the present work was also to produce defect-free joints with high mechanical and electrochemical properties. In the dissertation, similar welds of AA6082 alloy and dissimilar...
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Solvation of ionic liquids based on N -methyl- N -alkylmorpholinium cations in N,N -dimethylformamide and N,N -dimethylacetamide – Volumetric and compressibility studies
PublikacjaDensity and sound velocity of the solutions of ionic liquids based on N-alkyl-N-methyl- morpholinium cations: N-ethyl- -methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-butyl-Nmethylmorpholinium bis(trifluoromethanesulfonyl)imide, N-octyl-N-methyl -morpholinium bis(trifluor omethanesulfonyl)imide and N-decyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide in N, N-dimethylformamide and N,N-dimethylacetamide were...
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Methodology for determination of the selected mechanical properties of wood based on cutting tests
PublikacjaFrom kiln-dried spruce wood (with steam) as well as in natural conditions were randomly selected 8 samples. After determining the average dimensions, moisture content and density of the samples they have been cut on the frame sawing machine PRW15M for measurement of cutting power. Based on those results from a linear rela-tionship of cutting power versus feed per toot mechanical properties of wood such as facture toughness and...
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Investigation of praseodymium and samarium co-doped ceria as an anode catalyst for DIR-SOFC fueled by biogas
PublikacjaThe Pr and Sm co-doped ceria (with up to 20 mol.% of dopants) compounds were examined as catalytic layers on the surface of SOFC anode directly fed by biogas to increase a lifetime and the efficiency of commercially available DIR-SOFC without the usage of an external reformer. The XRD, SEM and EDX methods were used to investigate the structural properties and the composition of fabricated materials. Furthermore, the electrical...
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Local material symmetry group for first- and second-order strain gradient fluids
PublikacjaUsing an unified approach based on the local material symmetry group introduced for general first- and second-order strain gradient elastic media, we analyze the constitutive equations of strain gradient fluids. For the strain gradient medium there exists a strain energy density dependent on first- and higher-order gradients of placement vector, whereas for fluids a strain energy depends on a current mass density and its gradients....
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Rapid and Green Separation of Mono- and Diesters of Monochloropropanediols by Ultrahigh Performance Supercritical Fluid Chromatography–Mass Spectrometry Using Neat Carbon Dioxide as a Mobile Phase
PublikacjaThis study demonstrates the effect of column selectivity and density of supercritical carbon dioxide (SC-CO2) on the separation of monochloropropanediol (MCPD) esters, known as food toxicants, using SC-CO2 without addition of cosolvent in ultrahigh performance supercritical fluid chromatography–mass spectrometry (UHPSFC-MS). This study shows that over 20 2-monochloropropanediol (2-MCPD) and 3-monochloropropanediol (3-MCPD) mono-...
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Power balance in hydraulic satellite motors supplied with oil and HFA-E emulsion
PublikacjaMineral oil and HFA-E emulsion are liquids which differ in viscosity, density and lubricant properties. Therefore, supplying hydraulic satellite motors with these liquids, differences between quantity of hydraulic, volumetric and mechanical losses are observed. These losses influence efficiency of conversion of hydraulic energy into mechanical energy and thereby power balance of motors.
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Characterization and properties of LDPE/(ground tire rubber)/crosslinked butyl rubber blends
PublikacjaIn recent years, interest in used rubber recycling, mainly focusing on the utilization of end-of-life tires, has heightened. This interest, is owing to the activities related to environmental protection and economic factors, which both stimulate companies to reuse the high-quality rubber present in ground rubber scrap. In this study, the application of crosslinked butyl rubber in thermoplastic compositions of low-density polyethylene...
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Micellar aggregation of Triton X-100 surfactant in imidazolium ionic liquids
PublikacjaIn this work we investigated aggregation behavior of a nonionic surfactant Triton X-100 in eighteen imidazolium ionic liquids (ILs) with two to eight carbon atoms in cations alkyl chain, namely 1-ethyl-3-methylimidazolium, [EMIM], 1-butyl-3-methylimidazolium, [PrMIM], 3-methyl-1-propylimidazolium, [BMIM], 1-hexyl-3-methylimidazolium, [PMIM], 3-methyl-1-pentyl-imidazolium, [HMIM], and 1-octyl-3-methylimidazolium, [OMIM], and with...
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The effect of pre-hydrogen charging on corrosion behaviour of superduplex stainless steel welded joints
PublikacjaThe paper presents results of research undertaken to determine the influence of hydrogen on passivity and corrosion resistance of 2507 super duplex stainless steel welded joints. Butt welded joints were made with low heat input using flux corded arc welding (FCAW) method. Coupons of 5.0 x 5.0 mm were cut from the welded joints containing weld metal (WM), heat affected zone (HAZ) and parent metal (PM). Hydrogen was introduced...
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Optimum Choice of Randomly Oriented Carbon Nanotube Networks for UV-Assisted Gas Sensing Applications
PublikacjaWe investigated the noise and photoresponse characteristics of various optical transparencies of nanotube networks to identify an optimal randomly oriented network of carbon nanotube (CNT)-based devices for UV-assisted gas sensing applications. Our investigation reveals that all of the studied devices demonstrate negative photoconductivity upon exposure to UV light. Our studies confirm the effect of UV irradiation on the electrical...
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Production of fuel briquette from solid waste biomass using natural resin as a binder
PublikacjaBackground: This research aimed to evaluate the use of natural resin as a binder for the production of fuel briquette from solid waste biomass.Methods: Proximate analyses were made for fuel briquette prepared from solid waste biomass using natural resin as a binder in comparison with using starch as a binder.Results: The results for density, percent content of moisture, percent content of volatile matter, percent...
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Electrochemical Production of Sodium Hypochlorite from Salty Wastewater Using a Flow-by Porous Graphite Electrode
PublikacjaThe production of sodium hypochlorite (NaOCl) from salty wastewater using an electrochemical cell has several advantages over other methods that often require hazardous chemicals and generate toxic waste, being more sustainable and environmentally friendly. However, the process of producing sodium hypochlorite using an electrochemical cell requires careful control of the operating conditions, such as the current density, flow rate,...
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Production of fuel briquette from solid waste biomass using natural resin as a binder
PublikacjaAbstract Background: This research aimed to evaluate the use of natural resin as a binder for the production of fuel briquette from solid waste biomass. Methods: Proximate analyses were made for fuel briquette prepared from solid waste biomass using natural resin as a binder in comparison with using starch as a binder. Results: The results for density, percent content of moisture, percent content of volatile matter, percent content...
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Chapter 4. Electricity generation from glucose microbial fuel cell
PublikacjaThe microbial fuel cell was constructed to generate electricity with simultaneous digestion of a glucose fuel by a bacterial biofilm. The decomposition of glucose resulted in releasing of electrons to an anode and to production of some by-products, e.g. metane or organic acids. It was found that maximum electric power density strongly depended on the proton transport through the proton exchange membrane seperating the anolyte and...
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Constructive entanglement test from triangle inequality
PublikacjaWe derive a simple lower bound on the geometric measure of entanglement for mixed quantum states in the case of a general multipartite system. The main ingredient of the presented derivation is the triangle inequality applied to the root infidelity distance in the space of density matrices. The obtained bound leads to entanglement criteria with a straightforward interpretation. The proposed criteria provide an experimentally accessible,...
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OPTIMIZATION OF NASICON PREPARATION METHOD
PublikacjaNasicon is a solid conductor which has an ability to conduct Na+ ions and it is used in solid gas sensors. In this article a method of Nasicon preparation appropriate for gas sensing application by solgel technique is presented. Influence of the fabrication process parameters on properties of obtained samples was determined. Results of X-Ray diffraction, density, porosity, conductivity, and activation energies measurement are presented.
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Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes
PublikacjaLinear-scaling density functional theory simulation of methylated imogolite nanotubes (NTs) elucidates the interplay between wall-polarization, bands separation, charge-transfer excitation, and tunable electrostatics inside and outside the NT-cavity. The results suggest that integration of polarization-enhanced selective photocatalysis and chemical separation into one overall dipole-free material should be possible.
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Study of Aliphatic Polyurethanes by the Low-Field 1H NMR Relaxometry Method with the Inversion of the Integral Transformation
PublikacjaIn this paper, the distributions of the 1H nuclear magnetic resonance (NMR) spin–lattice and spin–spin relaxation times are used to characterize the mobility of different sections of macromolecules of aliphatic polyurethanes and the cross-linking density of polymer chains. The NMR relaxometry method with inversion of integral transformation is applied to study the effect of poly (ethylene glycol) and glycerol phosphate calcium...
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Novel single-stage buck-boost inverter with unfolding circuit
PublikacjaA novel solution of a single-stage buck-boost inverter with unfolding circuit at the output stage is presented. The inverter has a wide range of input voltage regulation, minimum passive components and a very flexible control structure. It can be applied for renewable energy systems where high power density is required. Our simulation results confirmed all theoretical statements
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Detection of the Direct Sequence Spread Spectrum Signals with BPSK Modulation
PublikacjaThis paper presents a method of the DS CDMA signals with BPSK modulation detection through the examination of the enhanced signal spectrum density. On the base of experiments carried out on the real radio communication signals the impact of a narrowband emission occurring in the examined frequency band on the detection process effectiveness was shown. The results of the experiment aimed at the detection of the satellite navigation...
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Compensation of magnetic disturbances caused by sensors in a differential magnetometric system
PublikacjaStudy of low magnetic fields necessitates the use of precision magnetometers working in a differential system. Minimization of this error is a substantial issue in the case of magnetometers working in a differential system on a mobile platform. The compensation method of heading error consists in taking measurements of changes in magnetic induction with the use of the tested magnetometer for various locations of the sensor in relation...
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A Note on Reduced Strain Gradient Elasticity
PublikacjaWe discuss the particular class of strain-gradient elastic material models which we called the reduced or degenerated strain-gradient elasticity. For this class the strain energy density depends on functions which have different differential properties in different spatial directions. As an example of such media we consider the continual models of pantographic beam lattices and smectic and columnar liquid crystals.
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On the crack front curvature in bonded joints
PublikacjaStandard tests of adhesively bonded specimens are likely to produce heterogeneous stress distribution along the crack front and its vicinity. High separation rate mode I dominated fracture test is performed.Observation of post mortem fractured surfaces with an optical microscope reveals characteristic features of mixed mode I/III fracture near the sides of the specimen but not in the middle. At first, finite elements calculations...
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Application of BDD thin film electrode for electrochemical decomposition of heterogeneous aromatic compounds
PublikacjaThe aim of the presented study is to investigate the applicability of electrochemical oxidation of aromatic compounds containing heteroatoms, e.g. waste from production of pesticides or pharmaceutics, at a borondoped diamond (BDD) electrode. The BDD electrodes were synthesized by microwave plasma enhanced chemical vapour deposition (MW PE CVD). Investigation of the electrode surface by optical microscopy and scanning electron microscopy...
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Cu-Doped Layered Double Hydroxide Constructs the Performance-Enhanced Supercapacitor Via Band Gap Reduction and Defect Triggering
PublikacjaLayered double hydroxides (LDHs) are regarded as the excellent electrode materials for supercapacitors because of their high theoretical capacitance and abundance. However, the poor conductivity and limited reaction kinetics of LDHs restrict their practical application severely. Herein, Cu is chosen from groups VIII/IB/IIB as dopants for Co-based LDH (CuCo-LDH). The designed metal–organic framework-derived hierarchical CuCo-LDH...
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Cascaded Buck Hybrid Interlink Converter for Multiple-Input / Multiple-Output Operation
PublikacjaThe provision of isolated- and non-isolated DC output voltages by Power electronics power-conditioning devices in the recent ‘green-energy-revolution’ era is on course. In this paper, a structure for multi-input multi-output(MIMO) DC–DC buck converter is proposed to generate output voltages of varying levels with fewer component-count. The DC output voltage of each of the constituting buck converters can be used independently or...
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Gas Detection Using Resistive Gas Sensors And Radial Basis Function Neural Networks
PublikacjaWe present a use of Radial Basis Function (RBF) neural networks and Fluctuation Enhanced Sensing (FES) method in gas detection system utilizing a prototype resistive WO3 gas sensing layer with gold nanoparticles. We investigated accuracy of gas detection for three different preprocessing methods: no preprocessing, Principal Component Analysis (PCA) and wavelet transformation. Low frequency noise voltage observed in resistive gas...
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Fault Diagnostics in PEMFC Stacks by Evaluation of Local Performance and Cell Impedance Analysis
PublikacjaStarvation, flooding, and dry‐out phenomena occur in polymer electrolyte membrane fuel cells (PEMFCs), due to heterogeneous local conditions, material inhomogeneity, and uneven flow distribution across the single cell active area and in between the individual cells. The impact of the load level and air feed conditions on the performance was identified for individual single cells within a 10‐cell stack. Analysis of the current density...
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Multi-objective optimization of tool wear, surface roughness, and material removal rate in finishing honing processes using adaptive neural fuzzy inference systems
PublikacjaHoning processes are usually employed to manufacture combustion engine cylinders and hydraulic cylinders. A crosshatch pattern is obtained that favors the oil flow. In this paper, Adaptive Neural Fuzzy Inference System (ANFIS) models were obtained for tool wear, average roughness Ra, cylindricity and material removal rate in finish honing processes. In addition, multi-objective optimization with the desirability function method...
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The Design Development of the Sliding Table Saw Towards Improving Its Dynamic Properties
PublikacjaCutting wood with circular saws is a popular machining operation in the woodworking and furniture industries. In the latter sliding table saws (panel saws) are commonly used for cutting of medium density fiberboards (MDF), high density fiberboards (HDF), laminate veneer lumber (LVL), plywood and chipboards of different structures. The most demanded requirements for machine tools are accuracy and precision, which mainly depend on...
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SrCe0.9In0.1O3-δ-based reversible symmetrical Protonic Ceramic Cell
PublikacjaIn-doped SrCe0.9In0.1O3-δ (SCI) perovskite-type oxide is utilized as the solid electrolyte, as well as a component, together with SrFe0.75Mo0.25O3-δ (SFM) compound, in the composite-type electrodes to construct symmetrical Protonic Ceramic Fuel Cells (PCFC). With good mutual stability of SCI and SFM at high temperatures in water vapor-containing reducing and oxidizing conditions, as well as sufficient ionic conductivity with high...
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Effects of Bromine Doping on the Structural Properties and Band Gap of CH3NH3Pb(I1–xBrx)3 Perovskite
PublikacjaAn experimental and theoretical study is reported to investigate the influence of bromine doping on CH3NH3Pb(I1−xBrx)3 perovskite for Br compositions ranging from x = 0 to x = 0.1, in which the material remains in the tetragonal phase. The experimental band gap is deduced from UV−vis absorption spectroscopy and displays a linear behavior as a function of bromine concentration. Density functional theory calculations are performed...
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Thermomagnetic behavior of a semiconductor material heated by pulsed excitation based on the fourth-order MGT photothermal model
PublikacjaThis article proposes a photothermal model to reveal the thermo-magneto-mechanical properties of semiconductor materials, including coupled diffusion equations for thermal conductivity, elasticity, and excess carrier density. The proposed model is developed to account for the optical heating that occurs through the semiconductor medium. The Moore–Gibson–Thompson (MGT) equation of the fourth-order serves as the theoretical framework...
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Narrowband Transmission Quality in Presence of Modified IEEE 802.15.4a UWB Signal
PublikacjaThis paper presents results of measurement of narrowband transmission quality in presence of impulse radio UWB interference. In the first part of paper, unmodified IEEE 802.15.4a IR UWB signal is used. Then some modification of transmitted pulse sequence is proposed, which allow to reduce UWB power spectral density at frequency of narrowbandtransmission. Finally narrowband transmission quality in presence of modified ultrawideband...
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Application of nonmetallic frustrated cations in the activation of small molecules
PublikacjaThe concept of nonmetallic frustrated cations has been used in small molecule activation. The in situ generated ambiphilic phosphinoborinium cation activated phenyl isocyanate, diisopropylcarbodiimide, and acetonitrile under very mild conditions without any catalyst, yielding single-, double-, or mixed-activation products. Furthermore, the mechanisms of the reactions of the phosphinoborinium cation with small molecules were elucidated...
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Results after grinding C45 steel
Dane BadawczeThe database contains results from nanoindenter, scanning microscope and also X-ray diffractometer. To determine the residual stresses and the size of the crystallites in the ferrite grains in the grinded surface layer, the Williamson Hall analysis of the X-ray diffraction patterns was performed. XRD diffraction patterns were also used to perform a...
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Why the solvation water around proteins is more dense than bulk water
PublikacjaThe main aim of this work is to propose a rational explanation of commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that geometry of the water-water hydrogen bond network within solvation layer differs from the one in bulk water and it is the effect of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the structure...