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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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Technological substitution in Asia
PublicationThis book provides extensive evidence on information and communication technologies development diffusion patterns, unveils specific ‘network effects’ that enhance rapid spread of ICT, and detect major macroeconomic determinants of this process, across 36 Asian economies over the period 1980-2015. Moreover, this research traces country-specific patterns of the unique process. We consider two types of technological substitution,...
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SENSITIVITY ANALYSIS IN THE REHABILITATION OF HISTORIC TIMBER STRUCTURES ON THE EXAMPLES OF GREEK CATHOLIC CHURCHES IN POLISH SUBCARPATHIA
PublicationThis work concerns structural and sensitivity analysis of carpentry joints used in historic wooden buildings in south-eastern Poland and western Ukraine. These are primarily sacred buildings and the types of joints characteristic for this region are saddle notch and dovetail joints. Thus, in the study the authors focus on these types of corner log joints. Numerical models of the joints are defined and finite element simulations...
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Validation study on a new semi-empirical method for the prediction of added resistance in waves of arbitrary heading in analyzing ship speed trial results
PublicationThis paper describes an open and extensive validation study carried out by the Specialist Committee on Ships in Operation at Sea (SOS) of the International Towing Tank Conference (ITTC) on the newly developed SHOPERA-NTUA-NTU-MARIC (SNNM) wave-added resistance prediction method. The SNNM method aims at a simple, fast and transparent determination of the added resistance in regular waves of arbitrary encounter directions, even when...
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Portico Farmhouses of the Vistula Delta: Architecture, Current State and Finite Element Modelling of Timber Roof Truss under Material and Cross-section Uncertainty
PublicationThe article focuses on the oldest surviving I-type portico houses located in the Vistula Delta, which were built in the 17th and 18th centuries. The study describes the houses’ origins, structure, details of roof structures and technical condition, and it also includes numerical modelling of a roof truss and its mechanical analysis. Numerical models of the roof trusses are defined and analysed by means of the finite element method....
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A study of jet impingement cooling enhancement by concave and convex heat sink shape modifications
PublicationThe rising demand for efficient cooling technologies is a strong driver of extensive research in this area. This trend is particularly strong in turbines and microprocessors technology. Presented study is focused on the jet impingement cooling concept, which is used in various configurations for many years. The potential of the heat sink shape modification is not yet fully explored. Available literature suggests that average Nusselt...
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Electrophoretic co-deposition of Mn1.5Co1.5O4, Fe2O3 and CuO: Unravelling the effect of simultaneous addition of Cu and Fe on the microstructural, thermo-mechanical and corrosion properties of in-situ modified spinel coatings for solid oxide cell interconnects
PublicationA systematic microstructural, thermo-mechanical and electrical characterization of simultaneous Fe–Cu doped Mn–Co spinel coatings processed by electrophoretic co-deposition on Crofer 22 APU is here reported and discussed. An innovative approach for the simultaneous electrophoretic deposition of three spinel precursors is designed, conceived and optimised, with the aim of outlining time- and energy-saving spinel modification routes....
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Scrutiny of power grids by penetrating PV energy in wind farms: a case study of the wind corridor of Jhampir, Pakistan
PublicationThis study examines the problems caused by intermittent renewable energy sources, especially wind farms, and suggests a different solar energy penetration strategy to improve their loading capacity. The study uses real-time data from a wind farm in Jhampir, Pakistan, to analyse and assess various aspects of grid stations connected to wind farms. Electrical Transient Analyzer Program is used to validate the results by linking these...
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Preparation and characterisation of iron substituted Mn1.7Cu1.3-xFexO4 spinel oxides (x = 0, 0.1, 0.3, 0.5)
PublicationSpinel oxides with the general formula Mn1.7Cu1.3-xFexO4 (x= 0, 0.1, 0.3, 0.5) were prepared and evaluated in this work for their properties at high temperatures. The effect of partially substituting Cu by Fe has not been studied so far for this group of materials and is thus evaluated in this work. Mn1.7Cu1.3-xFexO4 powders were synthesised by a soft chemistry process and studied in terms of crystallographic phase analysis, electrical...
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Conversion of Biomass and Municipal Wastes into Syngas and Hydrogen using Highly Preheated Agent (HTAG)
PublicationGasification is considered to be one of the most promising energy recovery technologies for the widespread utilization of biomass and wastes. During this process raw feedstock is converted into a combustible gas, which can then be burnt to produce thermal energy, or to run engines for mechanical or electrical power. The studies of biomass gasification demonstrate it as a friendly alternative to fossil fuels as one of renewable...
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Urban space recovery. Landscape-beneficial solutions in new estates built in post-industrial and post-military areas in Bristol, Poznań and Gdańsk
PublicationThe limitation of territorial expansion and the implementation of the idea of a compact city are generally accepted paradigms of spatial development of contemporary cities. In consequence, actions are taken to improve the quality of city landscape and revitalise vacant areas. This study approaches the process of city regeneration as transformation and supplementation of the existing urban structure as well as creation of multifunctional, structurally,...
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ELECTRON ATTACHMENT TO HETEROGENEOUS MOLECULAR CLUSTERS
PublicationHeterogeneous clusters are unique model species enabling studies of bulk and surface processes by vacuum restricted methods. This is of particular importance for the reactions of low-energy electrons which have extremely short penetration depth in bulk environments. This contribution overviews our recent experiments with low-energy electrons and clusters prepared by different techniques. First, the deposition of molecules on argon...
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Morphology and the physical and thermal properties of thermoplastic polyurethane reinforced with thermally reduced graphene oxide
PublicationIn this study, thermally reduced graphene oxide (TRG)-containing polyurethane nanocomposites were obtained by the extrusion method. The content of TRG incorporated into polyurethane elastomer systems equaled 0.5, 1.0, 2.0 and 3.0 wt%. The morphology, static and dynamic mechanical properties, and thermal stability of the modified materials were investigated. The application of TRG resulted in a visible increase in material stiffness...
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STUDY ON THE EFFECTIVENESS OF THE TURBINE CONDENSER AIR EXTRACTION SYSTEM USING HYDRO EJECTORS
PublicationThe aim of the paper is to investigate the effectiveness of the 18K380 steam turbine condenser air extraction system using hydro ejectors. Motivation for the analysis is a need of improvement of the energy conversion ratio of the power plant. To achieve this goal it is necessary to establish efficiency of each subsystem of the energy cycle. The air extraction system is not a highly power consuming system but it has great impact...
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Signal Reconstruction from Sparse Measurements Using Compressive Sensing Technique
PublicationThe paper presents the possibility of applying a new class ofmathematical methods, known as Compressive Sensing (CS) for recovering thesignal from a small set of measured samples. CS allows the faithful recon-struction of the original signal back from fewer random measurements bymaking use of some non-linear reconstruction techniques. Since of all thesefeatures, CSfinds its applications especially in the areas where, sensing is...
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High Rise Building: The Mega Sculpture Made Of Steel, Concrete and Glass
PublicationHigh rise building has transformed from providing not only the expansion of floor space but functioning as mega sculpture in the city. The shift away from economic efficiency driven need is only expected to grow in the future. Based on literature studies; after analysing planning documents and case studies, it was examined whether the presumption that gaining the maximum amount of usable area is the only driving factor; or if the...
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COMPARATIVE ANALYSES OF INTERNATIONALIZATION OF KAZAKHSTAN ENTERPRISES
PublicationThis paper presents the instruments of internationalization of enterprises operating within the Eurasian Economic Union. Research contains answers of 108 enterprises exporters located in the Republic of Kazakhstan. The purpose of the paper is to show the main forms of the internationalization of enterprises in Kazakhstan. The paper also presents the following instruments of enterprises’ internationalization including: indirect...
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Widening of the electroactivity potential range by composite formation – capacitive properties of TiO2/BiVO4/PEDOT:PSS electrodes in contact with an aqueous electrolyte
PublicationComposites based on the titania nanotubes were tested in aqueous electrolyte as a potential electrode material for energy storage devices. The nanotubular morphology of TiO2 was obtained by Ti anodization. TiO2 nanotubes were covered by a thin layer of bismuth vanadate using pulsed laser deposition. The formation of the TiO2/BiVO4 junction leads to enhancement of pseudocapacitance in the cathodic potential range. The third component,...
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Properties of Barium Cerate Thin Films Formed Using E-Beam Deposition
PublicationThis article focuses on the properties of the BaCeO3 thin films formed by electron-beam vapor deposition and investigates the formation of barium cerates on supports with different thermal expansion coefficients (Stainless Steel, Invar, Glass Sealing, and Inconel substrates) and the influence of the technological parameters on the properties of the formed thin films with an emphasis on the stability of the films. Morphology and...
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QUASI-DISTRIBUTED NETWORK OF LOW-COHERENCE FIBER-OPTIC FABRY-PÉROT SENSORS WITH CAVITY LENGTH-BASED ADDRESSING
PublicationDistributed measurement often relies on sensor networks. In this paper, we present the construction of low coherent fiber-optic Fabry-Pérot sensors connected into a quasi-distributed network. We discuss the mechanism of spectrum modulation in this type of sensor and the constraints of assembly of such sensors in the network. Particular attention was paid to separate the signals from individual sensors, which can be achieved by...
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Application analysis of a hybrid solid oxide fuel cell-gas turbine system for marine power plants
PublicationThe results of theoretical studies of the possibilities of using hybrid solid oxide fuel cell–gas turbine (SOFC-GT) systems for marine power plants are presented. A 500 kW auxiliary marine power plant scheme using stacks of SOFCs in combination with a regenerative gas turbine operating with over-expansion based on our recent patent application is proposed. The results of mathematical modelling showed the opportunity to obtain a...
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Bis(ammonium) Zoledronate Dihydrate
PublicationNeutralization of 2-(1-imidazole)-1-hydroxyl-1,1`-ethylidenediphosphonic acid (zoledronic acid) by an excess of ammonia yielded bis(ammonium) zoledronate dihydrate, {C5H8N2O7P2 2−, 2(H4N+), 2(H2O)}. The product is readily soluble in water and forms monocrystals for which the X-ray structural analysis was carried out. The zoledronic anion is of double negative charge due to deprotonation of three P–OH groups and protonation of the...
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Relative Productivity, Country Size and Export Diversification
PublicationThis paper analyses the effects of productivity and country size on the extent of trade structure diversification. Using a testable version of the Ricardian model, we show that relative export variety is an outcome of two forces: a relative productivity change (technological progress) and a relative country size change (labour force growth). The model predictions are validated empirically using product-level trade data for a sample...
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Rotational state-changing collisions of C2H− and C2N− anions with He under interstellar and cold ion trap conditions: A computational comparison
PublicationWe present an extensive range of quantum calculations for the state-changing rotational dynamics involving two simple molecular anions that are expected to play some role in the evolutionary analysis of chemical networks in the interstellar environments, C2H− (X1Σ+) and C2N− (X3Σ−), but for which inelastic rates are only known for C2H−. The same systems are also of direct interest in modeling selective photo-detachment experiments...
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Design of dimensionally stable composites using efficient global optimization method
PublicationDimensionally stable material design is an important issue for space structures such as space laser communication systems, telescopes, and satellites. Suitably designed composite materials for this purpose can meet the functional and structural requirements. In this paper, it is aimed to design the dimensionally stable laminated composites by using efficient global optimization method. For this purpose, the composite plate optimization...
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High-Temperature Structural and Electrical Properties of BaLnCo2O6 Positrodes
PublicationThe application of double perovskite cobaltites BaLnCo2O6−δ (Ln = lanthanide element) in electrochemical devices for energy conversion requires control of their properties at operating conditions. This work presents a study of a series of BaLnCo2O6−δ (Ln = La, Pr, Nd) with a focus on the evolution of structural and electrical properties with temperature. Symmetry, oxygen non-stoichiometry, and cobalt valence state have been examined...
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Influence of chemical structure on physicochemical properties and thermal decomposition of the fully bio-based poly(propylene succinate-co-butylene succinate)s
PublicationIn this work, two polyesters and four copolyesters were studied. All materials were synthesized to obtain the monomers dedicated for thermoplastic polyurethane elastomers. For this type of PUR, the monomers should characterize by appropriate selected physicochemical properties and macromolecular structure distribution, which depends on synthesis conditions. The study of chemical structure with extensive and knowledgeable analysis...
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Study of preference for surround microphone techniques, used in the recording of choir and instrumental ensemble
PublicationThe aim of this paper is to describe the process of choosing the best surround microphone technique for recording of choir with an instrumental ensemble. First, examples of multichannel microphone techniques including those used in the recording are described. Then, the assumptions and details of music recording in Radio Gdansk Studio are provided as well as the process of mixing of the multichannel recording. The extensive subjective...
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The Examination of the Upper Layers of the Seabed by the Means of the Acoustic Methods
PublicationPropagation of acoustic waves in the sea, in particular in shallow sea, depends on several factors. The basic of them are source power and frequency of acoustic waves, spatial distribution inhomogeneous medium in which acoustic wave propagates, and distributions of speed of sound and density of seawater. The coastal conditions, which limit water medium from above (free surface of the sea) and from bottom (the seabed), are no less...
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Temperature Measurements at Tyre Tread Rubber on Sandpaper Oscillatory Sliding Contacts Using Acicular Grindable Thermocouples
PublicationThe tribological performance of tyre–road contacts depends crucially on the contact temperature. This study investigates the reliability and accuracy of acicular grindable thermocouples possessing an original needle-shaped wearable part as applied to measuring temperature at the oscillatory sliding contact between a rubber tyre tread sample and a sandpaper. A linear oscillatory tribometer is used to imitate the sliding phase of...
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Proximal primal–dual best approximation algorithm with memory
PublicationWe propose a new modified primal–dual proximal best approximation method for solving convex not necessarily differentiable optimization problems. The novelty of the method relies on introducing memory by taking into account iterates computed in previous steps in the formulas defining current iterate. To this end we consider projections onto intersections of halfspaces generated on the basis of the current as well as the previous...
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Switched-capacitor DC-DC converters in arbitrary switching mode - topologically derived resistive models based on incremental graph approach.
PublicationIn the preceding paper we reviewed some of modeling approaches aimed at systematic formulation and solution of switched capacitor DC-DC converters. In our review, special attention was paid to computationally efficient and mathematically elegant methods. In so doing we had tried to demonstrate the virtues of unified Incremental Graph (IG) approach. Incremental Graph is, in concept, a tool originally created for analysis and synthesis...
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A brief note on monotonic and fatigue fracture events investigation of thin-walled tubular austenitic steel specimens via fracture surface topography analysis (FRASTA)
PublicationThe main objective of this short communication is to show the fracture progression in each loading case and complement knowledge about fracture mechanisms underpinning the tensile and fatigue performance of thin-walled tubes. For this purpose, the fracture surface topography analysis (FRASTA) method was used in the thin-walled tubular austenitic stainless-steel specimens. Two cases were analyzed: monotonic tension, and uniaxial...
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Orientation effects on the fracture behaviour of additively manufactured stainless steel 316L subjected to high cyclic fatigue
PublicationIn this paper, stainless steel 316L (SS316L) bars were additively manufactured (AM) in three orientations (Z – vertical, XY – horizontal, ZX45 – midway between vertical and horizontal) by using the Laser Powder Bed Fusion Melting (LPBF-M) method. The AM specimens were subjected to load control fatigue testing under full tension and compression (R = -1) at stress amplitudes ±350, ±400 and ±450 MPa. The XY and ZX45 printing orientations...
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Prediction of flow boiling heat transfer data for R134a, R600a and R290 in minichannels
PublicationIn the paper presented is the analysis of the results of calculations using a model to predict flow boiling of refrigerants such as R134a, R600a and R290. The latter two fluids were not used in development of model semiempirical correction. For that reason the model was verified with present experimental data. The experimental research was conducted for a full range of quality variation and a relatively wide range of mass velocity....
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Analiza Niezawodności Człowieka w Ramach Funkcji związanych z Bezpieczeństwem w Przykładowej Instalacji
PublicationW analizie bezpieczeństwa funkcjonalnego systemów sterowania i zabezpieczeń należy określić wymagany poziom nienaruszalności bezpieczeństwa SIL w procesie analizy ryzyka, a następnie zweryfikować ten poziom stosując odpowiednie metody modelowania probabilistycznego. Działania człowieka mogą mieć istotny wpływ na realizację funkcji bezpieczeństwa. Wpływ ten ocenia się na podstawie wyników analizy niezawodności człowieka HRA. W niniejszym...
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Razem czy osobno - zespoły a działania przedsiębiorcze
PublicationPrzedsiębiorczość rozumiana jako atrybut jednostki, charakteryzowana jest ponad 40 pojęciami. Wiadomo jest jednak, że zakres i różnorodność kompetencji pojedynczej osoby jest zazwyczaj mniejszy niż zespołu. Jednostka może posiadać wybitną wiedzę, niezwykły poziom umiejętności i ogromne doświadczenie, ale ich zakres może zostać rozszerzony o właściwie dobrane kompetencje innej jednostki. Z drugiej strony zarówno działania zespołowe...
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Parallel multithread computing for spectroscopic analysis in optical coherence tomography
PublicationSpectroscopic Optical Coherence Tomography (SOCT) is an extension of Optical Coherence Tomography (OCT). It allows gathering spectroscopic information from individual scattering points inside the sample. It is based on time-frequency analysis of interferometric signals. Such analysis requires calculating hundreds of Fourier transforms while performing a single A-scan. Additionally, further processing of acquired spectroscopic information...
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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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Energy Management for PV Powered Hybrid Storage System in Electric Vehicles Using Artificial Neural Network and Aquila Optimizer Algorithm
PublicationIn an electric vehicle (EV), using more than one energy source often provides a safe ride without concerns about range. EVs are powered by photovoltaic (PV), battery, and ultracapacitor (UC) systems. The overall results of this arrangement are an increase in travel distance; a reduction in battery size; improved reaction, especially under overload; and an extension of battery life. Improved results allow the energy to be used efficiently,...
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Fast Re-Design of Multi-Band Antennas by Means of Orthogonal-Direction Geometry Scaling and Local Parameter Tuning
PublicationApplication-driven design of antenna systems fosters a reuse of structures that have proven competitive in terms of their electrical and field performance, yet have to be re-designed for a new application area. In practice, it most often entails relocation of the operating frequencies or bandwidths, which is an intricate endeavor, normally requiring utilization of numerical optimization techniques. If the center frequencies of...
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Simulating propagation of coherent light in random media using the Fredholm type integral equation
PublicationStudying propagation of light in random scattering materials is important for both basic and applied research. Such studies often require usage of numerical method for simulating behavior of light beams in random media. However, if such simulations require consideration of coherence properties of light, they may become a complex numerical problems. There are well established methods for simulating multiple scattering of light (e.g....
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Migration of container terminals as their natural process of evolution: Case study of Gdańsk and Gdynia ports
PublicationThe paper proposes a theoretical model of container terminals and container port development, based on the life cycle theory, threshold theory and catastrophe theory, and in references to Kuznets' swings (interpreted as waves of infrastructural investments), and Kondratiev long economic waves. The aim of this model is to explain the development process of a container terminal and a port within one technological generation, as...
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Novel staphylococci nucH taxonomical marker used in identification of human-associated Staphylococcus succinus subsp. casei
PublicationThe aim of our study was to assess the sequencing of unique nucH gene fragment based on performed bioinformatics analysis as a novel diagnostic method for the identification of difficult to identify staphylococcal human pathogenic strains. Initially, PCR-RFLP-rrn analysis specific to the spacers between 16SrDNA and 23SrDNA followed by HhaI restriction analysis was performed. Further, sequencing of nucH and 16S rDNA genes fragments...
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A new index for statistical analyses and prediction of travelling ionospheric disturbances
PublicationTravelling Ionospheric Disturbances (TIDs) are signatures of atmospheric gravity waves (AGWs) observed in changes in the electron density. The analysis of TIDs is relevant for studying coupling processes in the thermosphere–ionosphere system. A new TID index is introduced, which is based on an easy extension of the commonly used approach for TID detection. This TID activity index, which can be applied for individual Global Navigation...
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Stiffness change of abdominal prosthesis Optomesh™ under cyclic loading
PublicationAbdominal prostheses are used in humans for abdominal wall strengthening or reconstruction. From the mechanical point of view they are membranes, so their basic mechanical property is tensile stiffness. This property is experimentally identified for a selected implant, OptomeshTM. The obtained results are described herein. Uni-axial simple and cyclic tension tests are a basis for the analysis. Both kinds of tests allowed to distinguish...
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Temperature Coefficient of Electronic Polarizability in Thin Polymer Films Deposited on Si and SiO2 Substrates Determined via Spectroscopic Ellipsometry
PublicationEllipsometry is widely used to determine the thermo-optical properties of thin polymer films. However, if the thermo-optic coefficient (TOC) and the linear thermal expansion coefficient (LTEC) are to be used to determine the temperature coefficient of electronic polarizability (TCEP) in thin polymer films, their values must be determined with the greatest possible accuracy, as both have the opposite effect. In this article,...
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Wavepacket of the Universe and its Spreading
PublicationWavepackets in quantum mechanics spread and the Universe in cosmology expands. We discuss a formalism where the two effects can be unified. The basic assumption is that the Universe is determined by a unitarily evolving wavepacket defined on space-time. Space-time is static but the Universe is dynamic. Spreading analogous to expansion known from observational cosmology is obtained if one regards time evolution as a dynamical process...
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Networking and Familiness as Factors Stimulating the Early Internationalization of High-Tech Firms
PublicationThe problem of the role and importance of time in the process of firm’s internationalization belongs to the mainstream of international business research, as is the problem of the key role of high-tech firms operating across borders. The main goal of the paper is to understand how selected factors determine early internationalization of high-tech firms in Poland as an emerging market. The theoretical framework of the article is...
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Numerical Modelling of Forced Convection of Nanofluids in Smooth, Round Tubes: A Review
PublicationA comprehensive review of published works dealing with numerical modelling of forced convection heat transfer and hydrodynamics of nanofluids is presented. Due to the extensive literature, the review is limited to straight, smooth, circular tubes, as this is the basic geometry in shell-and-tube exchangers. Works on numerical modelling of forced convection in tubes are presented chronologically in the first part of the article....