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Search results for: ROCK SALT STRUCTURE
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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublicationAbstract - 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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Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
PublicationThe electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U, DFT +HIA, and DFT+ED). The influence of the electron correlations and the spin-orbit coupling on the magnetic properties has been examined. The DFT+U method predicts both atoms to carry local magnetic moments (spin and orbital) contrary to a nonmagnetic...
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Damaged plasticity model - seismic analysis of structure of the Petronas Twin Towers (Kuala Lumpur) in Malaysia
PublicationThe article presents numerical simulations for the modelling of seismic impact on the structure of Petronas Twin Towers (Kuala Lumpur) in Malaysia with application of two methods. The Response Spectrum method, in which a spectrum of the structure's responses to an earthquake's impact is generated and the Acceletogram (BETA) method, in which we generate dynamic load in the form of a diagram of the connection between acceleration...
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Effect of Individual Components of Lignocellulosic Biomass on Methane Production and Methanogen Community Structure
PublicationOne of the major factors that influences the economic feasibility of biogas production is the availability of digestible feedstocks. There is little research on the influence of the chemical composition of biomass on biogas synthesis, especially with regard to the content of lignocellulosic materials. Therefore, the aim of this study was to estimate how differences in the content of cellulose and lignin in lignocellulosic biomass...
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The Spatial Structure of Suburban Zones in Selected Entrepreneurship Nets of the Tricity Metropolitan Area
PublicationThe chapter describes spatial structures and forms of Polish suburban zones shown on the example of two selected towns in the Trojmiasto Metropolitan Area (TMA). The description of the spatial characteristics in the urban sprawl, with focus on the entrepreneurships nests is illustrated by the choice of typological features, such as: form, land use, density. Suburbanisation is described to be global, however one can observe individual...
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Seasonal variability and morphological structure of bacteria in the Admiralty Bay (King George Island, Antarctic).
PublicationIntroduction: The aim of investigations was to state whether melting glaciers cause mass mortality of the sea stenohalyne organisms, what in consequence can lead to an increase of accumulation and growth of psychrophilic bacteria. It may be also that fresh melting water is unfavourable to the sea bacteria and front glacier's regions are not the areas of their intensive development. Methods: Field investigations were done in Admiralty...
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The structure of lead-silicate glasses containing nanocrystallites of iron oxides
Open Research DataThe structure of iron-doped glasses and glass-ceramics were studied. Samples has the composition of (50 − 0.5x)SiO2–(50 − 0.5x)PbO–xFe2O3, where x = 2, 5, 10, 15, 20 and 25 (in mol%). All samples were prepared by the conventional melt quenching technique; the melting was conducted in air at 1623 K in alumina crucibles. The melts were poured on a brass...
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Improving Output Performance of the Ultrasonic Multicell Piezoelectric Motor by Development the Multi-Rotor Structure
PublicationIn recent years, many researches have been carried out on piezoelectric multi-rotor structures. This paper describes the analysis, development and experimental process of an ultrasonic multi-cell piezoelectric motor using a multi-rotor structure. In this design, three independent cells have been integrated into a mechatronic system. Analytical model and finite element method are used for modal and dynamic analysis of the proposed...
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Structure of the register of immovable monuments in terms of the number of monuments by voivodeship – comparison of 2003 and 2024
Open Research DataThe following dataset compares the structure of the register of immovable monuments in Poland regarding the number of monuments by voivodeship for 2003 and 2024. During these years, the number of monuments increased by more than 16,000.
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Analysis of pavement structure sensitivity to passage of oversized heavy duty vehicle in terms of bearing capacity
PublicationOversized heavy duty vehicles occur in traffic very rarely but they reach extremely high weights, even up to 800 tonne. The detrimental impact of these vehicles on pavement structure is much higher than in case of commercial vehicles that comprise typical traffic, thus it is necessary to assess the sensitivity of pavement structure to passage of oversized vehicles. The paper presents results of sample calculations of load equivalency factor...
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The structure of lead-borate glasses containing nanocrystallites of iron oxides
Open Research DataThe structure of iron-doped glasses and glass-ceramics were studied. Glass samples of composition of xFe2O3–(100 − x)(B2O3–2PbO) (2.5 b x b 37, in mol%) were prepared by the conventional melt quenching technique. The melting was conducted in alumina crucibles at the temperature of 1523 K. The melts were poured on a preheated (573 K) brass plate and...
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Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment
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Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin
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Synthesis, structure and properties of novel poly(hydroxyurethane)s obtained by non-isocyanate route
PublicationNon-isocyanate polyurethanes (NIPUs) can be synthesized by polyaddition of five-membered bis(cyclic carbonate)s and primary diamines. NIPUs are an alternative for the commonly used (in the form of foams, elastomers, coatings or fibers) in the industry polyurethanes obtained using toxic and moisture sensitive diisocyanates, polyols and low-molecular weight chain extenders. The main aim of this work was to synthesize non-isocyanate...
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The structure of the data flow in integrated urban traffic management systems – the case of TRISTAR system
PublicationThe purpose of the article is to offer some insight into the data flow architecture in the Tri-City’s integrated traffic management system called TRISTAR. To that end selected elements of TRISTAR are identified and described as well as the structure for collecting and exchanging data within different sub-systems. Finally, the article highlights how the TRISTAR system can be extended by adding new elements and modules.
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The Effect of Calcination Temperature on Structure and Photocatalytic Properties of WO3/TiO2 Nanocomposites
PublicationSeries ofWO3/TiO2 nanocompositeswere obtained by hydrothermal method followed by calcination in the temperature range from 400∘C to 900∘C. The characteristics of photocatalysts by X-ray diffractometry (XRD), scanning electron microscope (SEM), and diffuse reflectance spectroscopy (DRS) showed that increasing the calcination temperature from 400 to 900∘C resulted in change of photocatalytic activity under UV-Vis light.Moreover,...
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Reduction of vibrations of steel structure models with Polymeric Bearings - experimental study
PublicationEarthquake-induced ground motions are the most severe and unpredictable threats to the structures all around the world. Therefore, designing earthquake protective systems has become an extremely challenging problem in civil engineering. Base isolation is one of the most popular and widely adopted methods of protecting structures against earthquake forces. The present paper reports the results obtained from the shaking table experimental...
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Experimental Tests Of Sandwich Beams In The Design Process Of GFRP Shell Footbridge Structure
PublicationThe paper includes selected aspects of the study to elaborate architectural, material and construction design of pedestrian footbridge spans made of composite materials. The considered footbridge is a sandwich-type shell structure. The cooperation of PET foam core with outer lining surfaces is crucial for its load bearing capacity. The paper is aimed to experimental investigation of sandwich beams subjected to bending loading....
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Analysis of Validation and Simplification of Timber-Frame Structure Design Stage with PU-Foam Insulation
PublicationThe transition from experimental studies to the realm of numerical simulations is often necessary for further studies, but very difficult at the same time. This is especially the case for extended seismic analysis and earthquake-resistant design. This paper describes an approach to moving from the experimental testing of an elementary part of a wood-frame building structure to a numerical model, with the use of a commercial engineering...
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Eco-Friendly Ether and Ester-Urethane Prepolymer: Structure, Processing and Properties
PublicationThis study concerns bio-based urethane prepolymers. The relationship between the chemical structure and the thermal and processing parameters of bio-based isocyanate-terminated ether and ester-urethane prepolymers was investigated. Bio-based prepolymers were obtained with the use of bio-monomers such as bio-based diisocyanate, bio-based polyether polyol or polyester polyols. In addition to their composition, the bio-based prepolymers...
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Dimeric structure of the N-terminal domain of PriB protein from Thermoanaerobacter tengcongensis solved ab initio
PublicationPriB is one of the components of the bacterial primosome, which catalyzes the reactivation of stalled replication forks at sites of DNA damage. The N-terminal domain of the PriB protein from the thermophilic bacterium Thermoanaerobacter tengcongensis (TtePriB) was expressed and its crystal structure was solved at the atomic resolution of 1.09 Å by direct methods. The protein chain, which encompasses the first 104 residues of the...
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Temperature-controlled nanomosaics of AuCu bimetallic structure towards smart light management
PublicationGold–copper nanostructures are promising in solar-driven processes because of their optical, photocatalytic and photoelectrochemical properties, especially those which result from the synergy between the two metals. Increasing interest in their internal structure, such as the composition or distribution of the Au and Cu as well as the size and shape of the nanoparticles, have developed to define their physicochemical properties. In...
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Crystal structure and low-energy Einstein mode in ErV2Al20 intermetallic cage compound
PublicationSingle crystals of a new ternary aluminide ErV2Al20 were grown using a self-flux method. The crystal structure was determined by powder X-ray diffraction measurements and Rietveld refinement, and physical properties were studied by means of electrical resistivity, magnetic susceptibility and specific heat measurements. These measurements reveal that ErV2Al20 is a Curie-Weiss paramagnet down to 1.95 K with an effective magnetic...
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Urban Railway within the Linear Urban Structure: the Case Study of Perm, Russia
PublicationThe paper analyses the ten years’ experience of Perm to develop its system of the urban train trying to reveal the reasons for its modest performance and decline in the passenger traffic. The authors show how the Urban Train fits within the city urban structure and eval uate the potential of the Urban Train to become a feasible solution to the problem of connecting the periphery with the city centre. Furthermore,...
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Processing data on sea bottom structure obtained by means of the parametric sounding
PublicationThe aim of the paper is to analyze data obtain during sounding of the Gdansk Bay by means of the parametric sonar. The accuracy of the sea bottom structure investigation needs the correct configuration of research equipment and the proper calibration of peripheral devices (GPS, heading sensor, motion sensor MRU-Z and navigation units) which provide necessary data to bathymetrical measurement system enabling its work with whole...
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Processing data on sea bottom structure obtained by means of the parametric sounding
PublicationThe aim of the paper is to analyze data obtained during sounding the Gdansk Bay sea bed by means of the parametric echo-sounder. The accuracy of the sea bottom structure investigation needs correct configuration of research equipment and proper calibration of peripheral devices (GPS, heading sensor, MRU-Z motion sensor and navigation instruments which provide necessary data to bathymetrical measurement system, enabling its work...
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Structure of foreigners registered for retirement and disability pension insurance by citizenship (%) - at the end of the year
Open Research DataThe structure of foreigners registered for insurance, divided by citizenship, changed dynamically. The share of foreigners from the EU regularly decreases (from 25.1% in December 2008 to 6.3% in December 2018), while the share of foreigners from outside the EU is steadily growing (from 74.9% in December 2008 to 93.7% in December 2018). The largest changes...
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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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The structure of novel polyurethanes containing synthetic poly[(R,S)-3-hydroxybutyrate]
PublicationThe aim of this study was to estimate the structure of new polyurethanes with the potential to be used in medicine. Atactic poly[(R,S)-3-hydroxybutyrate], obtained via a ring-opening polymerization, and polycaprolactonediol or polyoxytetramethylenediol were used to built the soft segments. 4,4'-methylene dicyclohexyl diisocyanate and 1,4-butanediol were the components to form hard segments. Polyurethanes with low-molecular weight...
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Structure and computationally-efficient simulation-driven design of compact UWB monopole antenna
PublicationIn this letter, a structure of a small ultra-wideband (UWB) monopole antenna, its design optimization procedure as well as experimental validation are presented. According to our approach, antenna compactness is achieved by means of a meander line for current path enlargement as well as the two parameterized slits providing additional degrees of freedom that help to ensure good impedance matching. For the sake of reliability, the...
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Performance improvement of NN based RTLS by customization of NN structure - heuristic approach
PublicationThe purpose of this research is to improve performance of the Hybrid Scene Analysis – Neural Network indoor localization algorithm applied in Real-time Locating System, RTLS. A properly customized structure of Neural Network and training algorithms for specific operating environment will enhance the system’s performance in terms of localization accuracy and precision. Due to nonlinearity and model complexity, a heuristic analysis...
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Structure and thermoelectric properties of nickel-doped copper selenide synthesised in a hydrogen atmosphere
PublicationNickel-doped copper selenide—Cu2-xNixSe (x = 0; 0.01; 0.02; 0.03)—materials with high thermoelectric properties were synthesised through reduction of reagents in hydrogen. The impact of the nickel content on both the microstructure and thermoelectric properties was examined. The nickel-doped samples’ microstructure differed significantly from pristine copper selenide. Besides Cu2Se, copper precipitations were present in the materials....
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Straightening of ship hull structure made of 316L stainless steel - microstructure of reference material
Open Research DataThe AISI 316L type steel belongs to the group of chromium-nickel stainless steels. They are determined according to European standards as X2CrNiMo17-12-2 and belong to the group of austenitic stainless steels. Steels of this group are used for elements working in seawater environments, for installations in the chemical, paper, and food, industries,...
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Changes in the ownership structure of the banking sector (percentage share) in 1995-2004
Open Research DataAnalyzing the data, one can observe a steadily declining share of the State Treasury in the shareholding structure of banks. In 1995, the state owned over 40% of bank assets (counting directly the share of the State Treasury and indirectly through enterprises organized under state legal persons). At the same time, it should be noted that the NBP is...
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Impact of steel grade on a ship colliding with an offshore wind turbine monopile supporting structure
PublicationOffshore wind power is experiencing rapid development around the world. The number of installations and their size is growing. Thousands of monopile support structures with diameters of 10 m and weights of 2000 tons will be installed in the coming years. Offshore wind power installations, often located close to the shore and shipping routes, pose a new challenge to ship safety. The study analyses the damages from an accidental...
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Structure, morphology and mechanical behaviour of novel bio-based polyurethane composites with microcrystalline cellulose
PublicationThe aim of this work was to obtain bio-based polyurethane composites using biocomponents such as, bio-glycol, modified natural oil-based polyol, and microcrystalline cellulose (MCC). The prepolymer method was used to prepare the bio-based polyurethane matrix. Prepolymer synthesised from 4,4’-diphenylmethane diisocyanate (MDI) and a polyol mixture containing 75% wt. commercial polyether and 25% wt. hydroxylated soybean oils (H3)...
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DETERMINATION OF POLYCYCLIC AROMATIC HYDROCARBONS IN SOIL SAMPLES USING ULTRASONIC PROBE AND SALT-ASSISTED LIQUID-LIQUID EXTRACTION COUPLED WITH HIGH-PERFORMANCE LIQUID CHROMATOGRAPHY
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On the Structure and Volumetric Properties of Solvated Lanthanoid(III) Ions in Amide Solutions
PublicationThe coordination chemistry and the volumetric properties of three representative lanthanoid(III) ions lanthanum-(III), gadolinium(III), and lutetium(III) have been studied in three amide solvents with gradually increasing spatial demand upon coordination: N,N-dimethylformamide (dmf)
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Employment structure in business services centers broken down into supported process categories.
Open Research DataThe structure of business services provided in centers in Poland is highly diversified, however, the vast majority of entities provide services in several categories of business processes. IT activities and financial and accounting (F&A) services together generate slightly more than half of employment in the industry (51%). Customer Operations (14%)...
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Structure-rheology relationship of fully bio-based linear polyester polyols for polyurethanes - Synthesis and investigation
PublicationThe synthesis of polyols from renewable substances as an alternative for petrochemical-based polyols play important matter in the polyurethane industry. In this work, the fully bio-based linear polyester polyols with different catalyst amounts were synthesized via two-step polycondensation method. The effect of various catalyst content on the structure and rheological behavior were established. Fourier Transform Infrared Spectroscopy,...
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Application of discrete wavelet transform in seismic nonlinear analysis of soil–structure interaction problems
PublicationSimulation of soil-structure interaction (SSI) effects is a time-consuming and costly process. However, ignoring the influence of SSI on structural response may lead to inaccurate results, especially in the case of seismic nonlinear analysis. In this paper, wavelet transform methodology has been utilized for investigation of the seismic response of soil-structure systems. For this purpose, different storey outrigger braced buildings...
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The Effect of Polyurethane Glycolysate on the Structure and Properties of Natural Rubber/Carbon Black Composites
PublicationIn this work the use of polyurethane chemical recycling product (i.e. glycolysis of polyurethane waste realized with the mass excess of polymer) as a plasticizer for natural rubber-based composites was proposed. The effect of plasticizer type (napthenic oil and polyurethane foam glycolysate) and amount (2, 4, 6 or 8 parts per 100 parts of natural rubber) on the processing properties of rubber mixtures and chemical structure, swelling,...
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Objective relaxation algorithm for reliable simulation-driven size reduction of antenna structure
PublicationThis letter investigates reliable size reduction of antennas through electromagnetic-driven optimization. It is demonstrated that conventional formulation of the design task by direct footprint miniaturization with imposing constraints on electrical performance parameters may not lead to optimum results. The reason is that—in a typical antenna structure—only a few geometry parameters explicitly determine the antenna footprint,...
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Simulations of high-pressure fluid flow in a pre-cracked rock specimen composed of densely packed bonded spheres using a 3D CFD model and simplified 2D coupled CFD-DEM approach
PublicationW artykule zastosowano dwa różne podejścia do opisu jednofazowego przepływu płynu w wstępnie spękanej próbce skały o niskiej porowatości pod wysokim ciśnieniem. Głównym celem pracy było bezpośrednie porównanie rozkładu ciśnień, gęstości i prędkości płynów we wstępnie pękniętej próbce. Zachowanie próbki imitującej skałę zostało opisane przez gęsto upakowane połączone kohezją kulki z nakładającymi się na siebie elementami. Pierwsze...
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Synthesis, structure and physical properties of new intermetallic spin glass-like compounds RE2PdGe3 (RE = Tb and Dy)
PublicationNew intermetallic compounds Tb2Pd1.25Ge2.75 and Dy2Pd1.25Ge2.75 have been synthesized using the arc-melting method. The crystallographic structure and magnetic, electronic transport, and thermal properties are reported. The crystal structure obtained from powder x-ray diffraction analysis suggests that these compounds crystallize in the AlB2-type structure (space group P6/mmm, no. 191) with lattice parameters a = 4.228 53(5)/4.230 54...
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Crystal and molecular structure of bis(O,O'-diethyldithiophosphato-S,S')nickel(II): A redetermination
PublicationDoniesienie przedstawia ponownie wyznaczoną strukturę tytułowego, centrosymetrycznego kompleksu, [Ni{S2P(OC2H5)2}2]. Centralny rdzeń (S2P)2 jest płaski, co potwierdza wcześniejsze wyniki uzyskane przez McConnell'a i Kastalsky'ego, przy czym odchylenia standardowe są około siedmiokrotnie mniejsze oraz wyznaczono wszystkie pozycje atomów wodoru. W strukturze krystalicznej zaobserwowano róznież parę krótkich kontaktów HH (2.33 Å).
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Structure of the register of immovable monuments under the primary function – comparison of 2017 and 2024
Open Research DataThis dataset compares the structure of the register of immovable monuments in Poland under the primary function of objects for 2017 and 2024. The statement included the following primary functions of the monuments: urbanism, sacral, defence, industrial, economic, residential, public utilities, communication, cemeteries, greenery, etc. The dataset has...
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On the Structure of Time in Computational Semantics of a Variable-Step Solver for Hybrid Behavior Analysis
PublicationHybrid dynamic systems combine continuous and discrete behavior. Often, computational approaches are employed to derive behaviors that approximate the analytic solution. An important part of this is the approximation of differential equation behavior by numerical integration. The accuracy and computational efficiency of the integration usually depend on the complexity of the method and its implicated approximation errors, especially...
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The evolving structure of Polish exports (1994-2010) - diversification of products and trade partners.
PublicationThis paper presents empirical evidence on the diversification process concerning Polish exports (1994–2010), compared to European and global samples of countries. It analyzes both the commodity structure of Polish trade and the geographical diversification of Poland’s trading partners. The analysis draws on highly disaggregated data on exports (HS 6 digit) and combines descriptive analysis with non-parametric, semi-parametric and...
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Reclaimed Rubber/Poly(ε‐caprolactone) Blends: Structure, Mechanical, and Thermal Properties
PublicationThe amount of elastomeric waste, especially from tires is constantly increasing on a global scale. The recycling of these residua should be considered a priority. Compounding the waste rubbers with other polymers can be an excellent alternative to reuse waste materials. This procedure requires solving the issue of the lack of compatibility between the waste rubber particles and other polymers. Simultaneously, there is a claim for...