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Technical and economic analysis of energy storage in the compressed air technology with low capacity for the production plant
PublicationCompressed air energy storage (CAES) system is a promising technology due to its numerous advantages, including relatively low maintenance cost, a long lifespan and high operational flexibility. This article explores the possibility of designing a CAES power plant as a source of electricity and heat for an existing industrial plant. The study involves the technical analysis of the power plant parameters and the economic analysis...
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Monitoring of lysozyme thermal denaturation by volumetric measurements and nanoDSF technique in the presence of N-butylurea
PublicationThe results of thermal studies of denaturation of hen egg white lysozyme (HEWL) in water and an aqueous solution of N-butylurea (BU) are presented. High-precision densimetric measurements were used to characterize and analyze the changes of the specific volume, v, during temperature elevation. The temperature of the midpoint of protein denaturation was also determined by nanoDSF technique (differential scanning fluorimetry). The...
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A global multinational survey of cefotaxime-resistant coliforms in urban wastewater treatment plants
PublicationThe World Health Organization Global Action Plan recommends integrated surveillance programs as crucial strategies for monitoring antibiotic resistance. Although several national surveillance programs are in place for clinical and veterinary settings, no such schemes exist for monitoring antibiotic-resistant bacteria in the environment. In this transnational study, we developed, validated, and tested a low-cost surveillance and...
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Interactions of N-alkyl-N-methylmorpholinium based ionic liquids with acetonitrile studied by density and velocity of sound measurements and molecular dynamics simulations
PublicationMorpholinium-based ionic liquids (ILs) and their mixtures with polar co-solvents are an interesting class of emerging electrolytes in electrochemistry that is relatively poorly studied. In this work, densities and sound velocities of four ILs, N-ethyl-N-methylmorpholinium tetrafluoroborate, N-butyl-N-methylmorpholinium tetrafluoroborate, N-octyl-N-methylmorpho-linium tetrafluoroborate and N-decyl-N-methylmorpholinium tetrafluoroborate...
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Excavation induced cast iron pipeline failure – a numerical study
PublicationNumerical study on impact of an unsecured excavation on an underground pipeline. Analysis focused on investigation of pipeline displacement generated by soil movement caused by excavation and heavy traffic. Numerical calculations and soil parameter sensitivity analysis based on Finite Element Method. Some comparisons of results with real-life failure cases.
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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublicationWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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Contribution of dynamic vehicle loads to pavement failure
PublicationPavement surfaces are not ideally even, which causes dynamic loads of vehicle axles. Distribution of dynamic loads of a given axle is similar to normal distribution and can be described by static load and dynamic load coefficient. The dynamic load coefficient depends on road profile, vehicle speed, properties of suspensions and static load of axle. While for a given road section road profile remains constant, vehicle speed and...
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Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublicationThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
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Positron Scattering and Annihilation in Organic Molecules
PublicationIn this paper, we address the problem of connecting positron lifetimes in liquids with collision cross sections in gases. We present the analyses of annihilation lifetime spectra of positrons in the liquid benzene, c-hexane, n-hexane, methanol and ethanol and calculations of scattering cross sections of positrons with benzene and c-hexane in the gas phase.
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Analysis of hydrodynamic pressure fields of motorboats and pontoons in shallow water
PublicationThe article presents the results of calculations of the pressure fields generated by a motorboat at the bottom of a shallow sea. Calculations were made using the boundary elements method (BEM), arranged on the surface of the boat and the bottom of the sea. This method is described in [3], and applied on a free surface linearized boundary condition. Results for four different lengths of motorboats, from 2.85 m to 9.5 m, sea depth...
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Thermal and hydraulic phenomena in boundary layer of minijets impingement on curved surfaces
PublicationPresented work considers flow and thermal phenomena occurring during the single minijet impingement on curved surfaces, heated with a constant heat flux, as well as the array of minijets. Numerical analyses, based on the mass, momentum and energy conservation laws, were conducted, regarding single phase and two-phase simulations. Focus was placed on the proper model construction, in which turbulence and boundary layer modeling...
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Modeling process of planning finished product sales volumes at industrial enterprises in modern economic conditions
PublicationThis article presents improving the existing system of planning finished products sales volumes. The influencing factors of the sales volumes in modern economic conditions have been determined: falling world oil prices, the reduction of pipe consumption in the domestic market, the global pandemic. The algorithm of planning finished products sales volumes has been constructed. Calculations based on the Holt forecasting method has...
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Analysis of ring cracks in ceramic rolling elements using the boundary element method
PublicationCeramic materials have been increasingly used in bearing technology for over a dozen years. This is due to the characteristic properties of ceramic materials such as: high hardness, corrosion resistance, the possibility of use in aggressive chemical environments, as well as due to the lower specific weight compared to steel materials. However, the use of ceramic materials is connected with many limitations. The main disadvantages...
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Low-energy positron scattering from gas-phase benzene
PublicationIn this paper we are presenting calculations of the elastic cross section of positrons with gas-phase benzene for the energy range from 0.25 eV to 9.0 eV. The calculations are done with the molecular R-matrix method for positron-scattering from poly-atomic molecules using a scaling factor to scale the electron-positron interaction. The scaling factor influences the position of the poles of the R-matrix. We adjust the scaling factor...
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Quantitative Analysis of Biofilm Formed on Vascular Prostheses by Staphylococcus Epidermidis with Different ica and aap Genetic Status
PublicationOBJECTIVES: This study aims to examine biofilm formed on vascular prostheses by Staphylococcus epidermidis with different ica and aap genetic status, and to evaluate the effect of antibiotic-modified prostheses on bacterial colonization. METHODS: Biofilm formation was determined using fluorescence microscopy imaging. Quantitative analysis was conducted using the biofilm coverage ratio (BCR) calculations. RESULTS: Our investigations...
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Magnetic and capacitive couplings influence on power and energy measurement in double circuit high voltage overhead transmission line
PublicationThe paper discusses influence of magnetic and capacitive couplings on power and energy measurement in case of double circuit high voltage overhead transmission line. There are presented and discussed various factors influencing the power flow among the line‟s circuits. Mathematical model based calculations results are compared to the real transmission line measurements.
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CLICK 'n' Sleep: Light-Switch Behavior of Triazole-Containing Tris(bipyridyl)ruthenium Complexes
PublicationA set of RuII complexes incorporating triazole subunits are presented. They show a solvent-dependent light-switch effect. Theoretical calculations revealed the excited states involved in the emission process. The findings are highly important for future design of light-switch sensors and suggest a severe restriction for functional photomolecular devices synthesized by CLICK chemistry.
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Analiza odcinków generujących straty czasu w transporcie tramwajowym
PublicationW czasie analiz i studiów przedwykonawczych dotyczących budowy nowych i modernizacji istniejących tras tramwajowych, bardzo często zakładane są nierealne czasy przejazdów, które weryfikuje się już po oddaniu linii do eksploatacji i przeprowadzeniu badań obserwacyjnych. Problematyczne wydaje się określenie, przed zakończeniem inwestycji, rzeczywistej prędkości jazdy, jak również strat czasu powstających w miejscach potencjalnych...
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Influence of the thermal modernization of window on transmission heat losses
PublicationThe article presents the results of calculations of the heat transfer coefficient for the state before and after renovation for the historic windows. The aim of the analysis was to obtain the values of thermal insulation parameters demanded by the regulations, while not losing the historical value of the window. The described example of the renovation of the existing window consisted in installing an additional window panel from...
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Analysis of magnetic field inside thin-layer ferromagnetic objects
PublicationResults of the numerical analysis of the magnetic field inside an infinitely long, thin-layer ferromagnetic pipe with and without a barrier were presented in this paper. Two wires with current symmetrically placed on two sides of the pipe are the sources of magnetic field. Numerical calculations for the quasi-steady state for chosen frequency band were carried out in the Flux 2D.
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Applying of thin plate boundary condition in analysis of ship’s magnetic field
PublicationThis paper presents computer simulations of ship’s magnetic signatures using a new thin plate boundary condition implemented in the Opera-3d 18R2 program. The paper aims to check the magnetic signatures’ numerical calculations precision of objects using the thin plate boundary conditions and analysis of the magnetic signature of ship with a degaussing system and with and without inner devices.
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Blade Section Prpfile Array Lifting Surface Design Method for Marine Screw Propeller Blade
PublicationThe lifting surface model is widely used in screw propeller design and analysis applications. It serves as a reliable tool for determination of the propeller blade mean line and pitch distribution. The main idea of this application was to determine the blade shape that would satisfy the kinematic boundary condition on its surface with the prescribed bound circulation distribution over it. In this paper a simplified lifting surface...
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The model of end-to-end call setup time calculation for Session Initiation Protocol
PublicationEnd-to-end call setup delay is one of the most important grade of service (GoS) parameters for VoIP networks with Session Initiation Protocol (SIP). A typical subscriber wants to have a connection established as soon as possible. From the operator's perspective call setup time is also crucial because he needs to know how probability of successful packet transmission on SIP links is related to a call setup delay. Then he can make...
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Dissociative Electron Attachment to 5-Iodo-4-thio-2′-deoxyuridine: A Potential Radiosensitizer of Hypoxic Cells
PublicationIn the search for effective radiosensitizers for tumor cells, halogenated uracils have attracted more attention due to their large cross section for dissociation upon the attachment of low-energy electrons. In this study, we investigated dissociative electron attachment (DEA) to 5-iodo-4-thio-2'-deoxyuridine, a potential radiosensitizer using a crossed electron-molecule beam experiment coupled with quadrupole mass spectrometry....
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An application of multi-agent system for ship’s power systems design
PublicationDesign process of transport ship power system consists of structure (topology) and component elements selection. Compliance with the requirements for static components does not guarantee optimal dynamic characteristics of entire power system. Design steps are difficult to formalize and as a consequence to this reason expert and multi-agent systems are used for solving selected design issues. In the paper distributed multi-agent...
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A facile method for Tauc exponent and corresponding electronic transitions determination in semiconductors directly from UV–Vis spectroscopy data
PublicationIn this work, a facile method allowing for estimation of the exponent in the Tauc equation directly from the UV–vis spectra is presented. It is based on the Taylor expansion of the logarithmic version of the Tauc equation. The Tauc exponent is calculated from the tangent slope of the absorption data. Knowledge of this coefficient provides information about the optical transition types and is used as an input for the calculations...
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Numerical modelling of the mesofracture process of sintered 316L steel under tension using microtomography
PublicationThis paper concerns numerical modelling of the deformation process, taking into account the local fracture of porous 316L sinters at the mesoscopic scale using the finite element method. Calculations are performed with the use of geometrical models, to map the realistic shape of the porous mesostructure of the material, obtained by means of computed microtomography. The microtomographic device has limited and insufficient measurement...
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Axial capacity of steel built-up battened columns
PublicationThis paper deals with the numerical investigation aimed to study the axial capacity of pin-ended steel built-up columns. Three methods of calculating forces in chords and batten, taking into account the material and geometric imperfections specified in the Eurocode 3 are considered. The aim of this study was to compare different methods allowing the calculation of the column load capacity and determine a simpler and faster method...
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New uranium(vi) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study
PublicationThe crystal structures of S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) diacetate (1_ac), S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) dichloride (1_Cl), 1_U complex, S,S′-naphthalene-1,4-diylbis(methylisothiouronium) dichloride (2_Cl), and 2_U complex were determined for the first time. The supramolecular structures of the compounds obtained are mainly based on hydrogen bonding and ionic interactions...
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Pt-rich intermetallic APt8P2 (A = Ca and La)
PublicationThe combination of experimental and theoretical investigation of two new Pt-rich intermetallic compounds: APt8P2 (A = Ca and La) is presented, including solid-state synthesis, crystal structure determination, physical properties characterization and chemical bonding analysis. APt8P2 was obtained through the high-temperature pellet synthesis. According to both single crystal and powder X-ray diffraction results, APt8P2 crystallize...
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Direct reduction of pellets through hydrogen: Experimental and model behaviour
PublicationThis paper presents the hydrogen reduction behaviour of industrial pellets designed for the efficient hydrogen based direct reduction. The pellets were provided with very low non ferrous oxides percentage (0.52 of basicity index) and with the absence on TiO2 oxides. The pellets measured diameters in the range 1.14–1.72 cm and were characterized in terms of porosity, pores size, tortuosity and compression strength. The pellets were...
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Removal of BTEX Compounds From Waste Gases; Destruction and Recovery Techniques
PublicationThe tendency for BTEX compounds (benzene, toluene, ethylbenzene, xylenes) to spread into all compartments of the environment together with their influence on both ecosystem and human health means that the emission of thesecompounds into the air is becoming the matter of worldwide concern. The legal regulations introduced by the European Union governing the assessment and management of air quality obliges member states to systematically...
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Structure and electrical properties of Y, Fe-based perovskite mixed conducting composites fabricated by a modified polymer precursor method
PublicationIn this work, samples of Y0.07Sr0.93Ti1-xFexO3-d with 20, 40, 60 and 80 mol% of iron amount were prepared by a low-temperature polymer precursor method. The SEM-EDS analysis proved that analyzed Y0.07Sr0.93Ti1-xFexO3-d samples were composites of two Ti- and Fe-rich perovskite samples. This kind of composite consists of two phases in which one has a good ionic and the other electronic conductivity, which makes such a composite a...
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Novel Cast Polyurethanes Obtained by Using Reactive Phosphorus-Containing Polyol: Synthesis, Thermal Analysis and Combustion Behaviors
PublicationPhosphorus-containing polyol applications in polyurethane synthesis can prevent volatilization of flame retardants and their migration on the surface of a material. In this work, novel cast polyurethanes were prepared by a one-step method with the use of different amounts of phosphorus-containing polyol, 4,4′–diphenylmethane diisocyanate and 1,4-butanediol. The chemical structure, thermal, physicochemical and mechanical properties...
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Kinetic analysis of the reduction of a ternary system of Bi, Sb and Te oxides by hydrogen for BiSbTe3 synthesis
PublicationReduction in a hydrogen atmosphere of Bi2O3, Sb2O3 and TeO2 mixes oxides for the synthesis of BiSbTe3 was analysed. The reduction reactions of Sb2O3 and Sb2O4 oxides, as well as Bi2O3+Sb2O3 and Sb2O3+3TeO2 mix- tures, were also evaluated. The reduction of Sb2O4 is investigated for the first time. The reactions of the mixed oxides systems also were not the subject of research so far despite being used for synthesis of the (Bi,Sb)2Te3...
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Electrocatalytic oxidation of methanol, ethylene glycol and glycerine in alkaline media on TiO2 nanotubes decorated with AuCu nanoparticles for an application in fuel cells
PublicationIn this work, we present the catalytic and photocatalytic activity of AuCu nanostructures obtained on TiO2 nanotubes toward methanol, ethylene glycol and glycerine oxidation. The electrode material is prepared by anodization of Ti foil, thin AuCu layer sputtering and rapid thermal treatment under argon atmosphere. Scanning electron microscopy images confirmed the presence of ordered tubular architecture of TiO2 as well as nanoparticles...
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High-temperature properties of titanium-substituted yttrium niobate
Publicationhe defect fluorite titanium-doped yttrium niobate samples Y3Nb1−xTixO7−δ have been synthesized and investigated by the means of high-temperature X-ray diffraction, dilatometry, and thermogravimetry. Thermal expansion coefficients (TECs) as well as chemical expansion coefficients for material with 5, 10, and 15 mol% of titanium were determined. All investigated samples exhibit chemical contraction caused by Ti doping. The values...
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Potential Energy Curves of Diatomic Alkali Molecules Datasets
PublicationThe datasets described in this article contain potential energy curves for several diatomic systems. The data was obtained via high-performance computing using MOLPRO, a system of ab initio programs for advanced molecular electronic structure calculations. The datasets allow to model bond lengths, energy levels, spectra and time-evolution of molecular dimers for which the data are presented.
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Investigation of rotational state-changing collisions of C2N− ions with helium
PublicationThe cross sections for rotational inelastic collisions between atoms and a molecular anion can be very large, if the anion has a dipole moment. This makes molecular anions very efficient in cooling atomic gases. We address rotational inelastic collisions of Helium atoms with the molecular anion C2N–. Here we present preliminary calculations of the potential energy surface.
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On the effective properties of foams in the framework of the couple stress theory
PublicationIn the framework of the couple stress theory, we discuss the effective elastic properties of a metal open-cell foam. In this theory, we have the couple stress tensor, but the microrotations are fully described by displacements. To this end, we performed calculations for a representative volume element which give the matrices of elastic moduli relating stress and stress tensors with strain and microcurvature tensors.
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Isostructural zinc and cadmium silanethiolates with bridging biimidazole co-ligands – Enhanced luminescence of zinc complex
PublicationTwo dinuclear complexes of zinc and cadmium with silanethiolate and bridging biimidazole ligands are characterized by X-ray diffraction, FT-IR, UV–Vis and emission spectroscopies. The complexes 1 (Zn) and 2 (Cd) are isostructural but exhibit different electronic structures and different character of frontier HOMO orbitals as indicated by DFT calculations. Lluminescence studies prove strong emission properties of zinc complex.
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Diaminophosphinoboranes: effective reagents for phosphinoboration of CO2
PublicationThe monomeric diaminophosphinoboranes readily react with CO2 under mild conditions to cleanly form products of the general formula R2P-C(=O)-O-B(NR2)2 in the absence of a catalyst. The isolated products from the CO2-phosphinoboration were fully characterized by NMR spectroscopy, IR spectroscopy, and X-ray diffraction. The mechanism of CO2 phosphinoboration with diaminophosphinoboranes was elucidated by DFT calculations.
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Self-assembled concentric stripes of diamond particles by a pinning-depinning mechanism
PublicationWe describe the novel mechanism of spontaneous formation of the concentric stripe patterns of microdiamonds via gradual solvent evaporation from a suspension confined in a teardrop well. The self-organized patterns exhibit a series of arcs with regular spacings varying between hundreds of micrometers and millimeters. They result from an interplay between the directional forced circulation of the solvent and a stick-slip movement...
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Nanoparticles and nanofiltration for wastewater treatment: From polluted to fresh water
PublicationWater pollution poses significant threats to both ecosystems and human health. Mitigating this issue requires effective treatment of domestic wastewater to convert waste into bio-fertilizers and gas. Neglecting liquid waste treatment carries severe consequences for health and the environment. This review focuses on intelligent technologies for water and wastewater treatment, targeting waterborne diseases. It covers pollution prevention...
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Sources and composition of chemical pollution in Maritime Antarctica (King George Island), part 1: Sediment and water analysis for PAH sources evaluation in the vicinity of Arctowski station
PublicationThe paper presents a study regarding the identification of polycyclic aromatic hydrocarbons (PAHs) in fresh waters and surface sediments on the western shore of Admiralty Bay over four sampling seasons from 2017 to 2018. The results were compared to literature data from 2016 to provide a more comprehensive image of the environmental fate of PAHs over the years. The highest value of Σ PAHs was 82.9 ng/L and 445 ng/g dw in water...
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Seasonal and spatial differences in metal and metalloid concentrations in the snow cover of Hansbreen, Svalbard
PublicationMetals and metalloids in snow on glaciers, depending on the season of deposition, may come from various sources: local rock dust (erosion of the geological substratum), marine aerosol, local human activity (e.g. fuel combustion, waste incineration) and long-range atmospheric transport. Hansbreen glacier, located close to the Polish Polar Station in Svalbard, is a perfect site to study metals and metalloids: it has complex geological...
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On the crack front curvature in bonded joints
PublicationStandard 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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Comparison of calculated and measured thermal stresses in asphalt concrete
PublicationThe paper presents the comparison of calculated and measured thermal stresses induced in restrained asphalt concrete specimens by cooling. Thermal stresses were measured in the Thermal Stress Restrained Specimen Test. The calculations of thermal stresses were performed with the use of a theoretical formula based on the temperature dependent stiffness modulus. The novel approach applied in this paper was that the stiffness modulus...
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Comparison of heat transfer from single- and double-sided heated horizontal plate under free convection in air with constant heat flux condition
PublicationThis paper presents the results of an experimental and numerical study of convective heat transfer from a newly designed double-sided heated horizontal plate in air. To ensure equal heat transfer from both surfaces, the plate was equipped with two independently supplied electric heaters and resistance thermometers on each side. Minimizing the plate's thickness reduced lateral heat loss and improved measurement accuracy. The study...
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Tuning the work function of graphite nanoparticles via edge termination
PublicationGraphite nanoparticles are important in energy materials applications such as lithium-ion batteries (LIBs), supercapacitors and as catalyst supports. Tuning the work function of the nanoparticles allows local control of lithiation behaviour in LIBs, and the potential of zero charge of electrocatalysts and supercapacitors. Using large scale density functional theory (DFT) calculations, we find that the surface termination of multilayer...