Wyniki wyszukiwania dla: THEORETICAL MODEL
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Structural modification and band gap engineering of carbon nano-onions via sulphur doping: Theoretical DFT study
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublikacjaThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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A method for evaluating theoretical and real operation of diesel engines in energy conversion formulation taking into account their operating indices
PublikacjaPrzedstawiono propozycję wartościowania (ilościowego określenia z uwzględnieniem wskaźników) działania dowolnego silnika o zapłonie samoczynnym, na przykładzie okrętowego silnika głównego, w którym zachodzą przemiany energetyczne w określonym czasie. Działanie to rozumiane jest jako przekazywanie energii śrubie napędowej w ustalonym czasie, w którym zachodzi przetwarzanie i przenoszenie energii w formie pracy bądź ciepła. Wartościowanie...
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Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] towards selected ketones
PublikacjaIn this work, we report a new type of reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] (1) towards ketones (BDI* = 2,6-diisopropylphenyl-β-methyldiketiminate ligand). In the reaction of 1 with acetone, cyclopentanone or cyclohexanone, a ketone moiety is inserted into Ti–Pphosphanyl or Ti–Pphosphido bonds to form complexes with a new C–P–P moiety, providing [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2-C(Me)2O}] (2a), [(BDI*)Ti(Cl){η2-OC(Me)2P(SiMe3)-PiPr2}]...
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How thermal stability of ionic liquids leads to more efficient TiO2-based nanophotocatalysts: Theoretical and experimental studies
PublikacjaIonic liquids (ILs) containing distinct nitrogen-bearing organic cations (pyridinium, pyrrolidinium, imidazolium, ammonium, morpholinium) were first used for the preparation of 23 IL-TiO2 types of composites by ionic liquid assisted solvothermal synthesis. These 23 optimal ILs structures (i.e. compounds exhibiting an optimal combination of specific properties, functionality, and safety) for synthesis and experimental validation...
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Theoretical consideration of free convective heat transfer from a round isothermal plate slightly inclined from the vertical
PublikacjaA semi-analytical solution of simplified Navier-Stokes and Fourier-Kirchhoff equations describing free convective heat transfer from a round isothermal surface slightly inclined from the vertical is presented. The solution is based on the assumption, typical for natural convection, that the velocity component normal to the surface is negligibly small in comparison to the tangential one. Next we neglect the nonlinear inertia force...
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An Experimental Investigation of Pressure Wave Celerity During the Transient Slurry Flow
PublikacjaTransportation of slurries in pressure pipelines is an example of a complex flow due to specific parameters of transported medium. For practitioners, the economy of designing and maintenance is usually the most important factor. For this reason, most of hydrotransport installations are fairly simple; however, they become more vulnerable to negative effects of the transient flow which can occur in pressure pipelines. As the consequence,...
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Low to intermediate energy elastic electron scattering from dichloromethane (CH2Cl2)
PublikacjaWe report a theoretical-experimental investigation of electron scattering by dichloromethane (CH2Cl2) in the low- and intermediate energy ranges. Experimental elastic differential cross sections (DCS), in the incident electron energy range of 0.5-800 eV and scattering angle range of 10°–130°, were measured using a crossed beam relative flow technique. Integral and momentum- transfer cross sections were determined from the experimental...
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Assessment of the Accuracy of a Virtual Multi-Channel Temperature Measuring Instrument
PublikacjaThe multi-channel temperature measurement system developed works with NTC thermistors. The article presents the results of theoretical and empirical evaluation of accuracy obtained in measurement channels. The basis for the theoretical assessment is the mathematical model for each of the measurement channels and the characteristics of the system elements included in the circuits of the measurement channel. Two different methods were...
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Fabrication of toughened plastic using styrene butadiene rubber-poly (methyl methacrylate) interpenetrating polymer networks
PublikacjaA standard set of interpenetrating polymeric networks (IPNs) has been contrived using an elastomerstyrene butadiene rubber and a thermoplastic poly (methyl methacrylate) through sequential polymerization protocol. This low-cost material can be hopefully engaged as a toughened plastic with cocontinuous morphology. Different morphological protocols including Raman imaging are effectively utilized to envisage the effect of blend ratio...
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Creating Hotel Services from a Perspective of Extraordinary Customer Experience
PublikacjaThis conceptual article aims to explore the process of providing hotel services in the context of requirements arising from the experience economy. Both the concept of experience marketing and the concept of customer experience management provided a theoretical framework for the discussion. Based on a review of literature and conclusions derived from hotel managers’ experiences, a research model is proposed, which may be of some...
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Comparison of selected parametric methods for prediction of inland waterways ship hull resistance in towing tank test
PublikacjaIn the paper selected approximate methods for calculation of inland waterways ship resistance and their verification by towing tests, compared on the example of a small urban ferry, are presented. The test results are made for both the bare hull and the hull with appendages (skeg, azimuthal propeller). Significant differences between results of the theoretical methods and experimental ones, especially in the case of the model with...
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Doppler effect in the CW FM sonar
PublikacjaWhen sonars are used for military purposes they have to ensure unobtrusive operation, a feature that can be potentially secured by 'silent sonar' or continuous wave frequency modulation sonars (CW FM sonars). The article presents how these sonars operate and identifies the relations between their parameters. The Doppler effect and its impact on the CW FM sonar are studied to identify how it affects the sonar's parameters. The results...
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Evaluation of Professional Demands and Financial Reward Through the Perception of Police Managers
PublikacjaThe aim of the study was to examine the relationship between job demands and salary in the subjective perception of mid-level police managers. An occupational stress model in which effort spent on job demands are not balanced by the received reward, was adopted. The study comprised 51 police officers (4 women). The partial least squares method was used for the analysis, and the SmartPLS 2.0 program was applied. The income and...
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Self-Sensitized Photocatalytic Degradation of Colorless Organic Pollutants Attached to Rutile Nanorods—Experimental and Theoretical DFT+D Studies
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How the configurational changes influence on molecular characteristics. The alkyl 3-azido-2,3-dideoxy-D-hexopyranosides - Theoretical approach
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Proton transfer and hydrogen bonds in supramolecular, self-assembled structures of imidazolium silanethiolates. X-ray, spectroscopic and theoretical studies
PublikacjaThe reaction of 1-methylimidazole, 2-ethyl-4-methylimidazole and 2-ethylimidazole with tris(2,6- diisopropylphenoxy)silanethiol (TDST) leads to the formation of three new salts, which have been characterized by elemental analyses, thermogravimetric analyses, FTIR spectroscopy, and their structures were determined by single-crystal X-ray diffraction. Structural analyses indicate that in all three compounds a proton transfer has...
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Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study
PublikacjaThe near-edge X-ray absorption fine structure (NEXAFS) spectra of the gas-phase isoxazole molecule have been measured by collecting total ion yields at the C, N, and O K-edges. The spectral structures have been interpreted using time-dependent density functional theory (TD-DFT) with the short-range corrected SRC2-BLYP exchange–correlation functional. Experimental and calculated energies of core excitations are generally in good...
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Determination of the Theoretical and Actual Working Volume of a Hydraulic Motor—Part II (The Method Based on the Characteristics of Effective Absorbency of the Motor)
Publikacja: In this article, the second method of determination of the theoretical and actual working volume of a hydraulic motor is described. The proposed new method is based on the characteristics of effective absorbency of the motor. The effective absorbency has been defined as the ratio of flow rate in a motor to the rotational speed of the motor’s shaft. It has been shown that the effective absorbency is a nonlinear function of the...
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The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results
PublikacjaThe mechanisms of retro-Diels–Alder fragmentation of luteolin are studied theoretically using the Density Functional Theory method (B3LYP hybrid functional) together with the 6-311++G(d,p) basis set and supported by electrospray ionization tandem mass spectrometry (ESI-MS) results. The reaction paths leading to the formation of 1,3A and 1,3B fragment ions observed as the main spectral features in the ESI-MS spectrum are described...
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Small Vessel with Inboard Engine Retrofitting Concepts; Real Boat Tests, Laboratory Hybrid Drive Tests and Theoretical Studies
PublikacjaThe development of modern technologies and their increasing availability, as well as the falling costs of highly ecient propulsion systems and power sources, have resulted in electric or hybrid propulsions systems’ growing popularity for use on watercraft. Presented in the paper are design and lab tests of a prototype parallel hybrid propulsion system. It describes a concept of retrofitting a conventionally powered nine meter-long...
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Launching of steel bridge girder. Application of nonlinear shell models
PublikacjaThe paper describes the final technology of launching the steel bridge superstructure. The original technology failed in the first construction stage. Local damage of steel webs caused by plastic buckling stopped the procedure. In the effect of damage a new consulting team was employed to solve the problem and redesign a technology of constructing. The key element of the new solution was developed with great help of non-linear...
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Parallelization of Compute Intensive Applications into Workflows based on Services in BeesyCluster
PublikacjaThe paper presents an approach for modeling, optimization and execution of workflow applications based on services that incorporates both service selection and partitioning of input data for parallel processing by parallel workflow paths. A compute-intensive workflow application for parallel integration is presented. An impact of the input data partitioning on the scalability is presented. The paper shows a comparison of the theoretical...
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Comparison between measured and calculated underwater pressure of merchant ship
PublikacjaFrom 2012 The Polish Naval Academy take part in an international research project SIRAMIS, carried out in the framework of the European Defence Agency. The objective of this project is to improve the understanding of ship signature interaction with multi influence sensors in relevant and realistic scenario's. This paper describes selected results of the comparison results of sea trials and model calculations of the hydrodynamic...
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A dynamical model for plasma confinement transitions
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Contemporary multifunctional buildings towards a sustainable development of the housing environment
PublikacjaDevelopment of contemporary urban centers depends on the basis that buildings present more and more complex structures in terms of size and purpose. They are referred to as multifunctional buildings. This aspiration has its origins in the development of urban centers and in the desire to optimize the built-up areas. The article presents the theory of the approach to the design of multifunctional buildings with a focus on the residential...
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COMPARISON OF PREDICTIVE METHODS FOR FLOW BOILING HEAT TRANSFER IN CONVENTIONAL CHANNELS AND MINICHANNELS – THE EFFECT OF REDUCED PRESSURE
PublikacjaIn the paper are presented the results of follow on studies from [1]–[3] using authors own model to predict heat transfer coefficient during flow boiling. The model has been tested against a large selection of experimental data collected from various researchers to investigate the sensitivity of the in-house developed model. The collected experimental data came from various studies from literature and were conducted for the full...
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Elastic scattering of electrons from chloroform
PublikacjaWe present experimental and theoretical cross sections for elastic electron scattering from CHCl3. This is an important target because of its relevance to environmental chemistry and the plasma etching industry as a source of chlorine radicals. The experimental results were obtained at incident electron energies ranging from 0.5 to 800 eV in the 10deg-130deg scattering angle range. Theoretically, the scattering cross sections in...
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High order of nongeminate recombination in organic bulk heterojunction solar cells
PublikacjaWe analyze high order of nongeminate recombination in organic donor–acceptor bulk heterojunction solar cells. The model of recombination where an exciton annihilates on an electron–hole Langevin bound pair near donor–acceptor interface has been applied in our studies. We obtained satisfactory agreement between experimental results and theoretical calculations for the concentration dependences of several parameters characterizing...
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Sustainable Knowledge Sharing Model for IT Agile Projects
PublikacjaIn order to overcome work environment challenges and remain competitive in the market, organisations must adapt. An organisation's competitiveness can be improved through knowledge sharing; however, improvement without responsibility can have a negative impact on the sociotechnical environment which people cannot fully comprehend. According to researchers, business involvement in sustainable development goals remains minimal [51]....
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Rotordynamic characteristics of a chamber seal
PublikacjaThe paper presents the results of numerical and experimental investigations into pressure forces generated in a turbine labyrinth seal of a modernized type. The experiments were performed on a single-stage air model turbine of the impulse type. The experiments were performed on a single-stage air model turbine of the impulse type. The experimental data were compared with theoretical results obtained by means of CFD Fluent Code....
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Testing of low temperature behaviour of asphalt mixtures in bending creep test
PublikacjaThe paper presents a method of bending beam test and its importance for evaluation of asphalt mixtures behaviour at low temperatures. Two types of asphalt mixtures: asphalt concrete AC with normal paving grade bitumen and stone mastic asphalt SMA with SBS-modified bitumen were tested. Long-term oven ageing (LTOA) test was also used in the laboratory according to SHRP procedure. The Burgers model was applied and rheological parameters...
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EVALUATION OF THE SEMIVARIOGRAM SELECTION ON THE KRIGING INTERPOLATION
PublikacjaThe aim of the paper is to present the possibilities of geostatistical interpolation kriging method using in the process of generating digital terrain models (DTM). The source of data is a direct measurements realized with a precision GNSS positioning kinematic measurement technique RTN. Kriging algorithm was analysed, especially in the meaning of a semivariogram every step. Theoretical semivariogram selection influence on the...
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Theory vs. practice. Searching for a path of practical education
PublikacjaThe introduction of a three-tier model of higher education (the Bologna model) has led to considerable changes in the 1st- and 2nd-tier technical courses at universities. At present, a student with a bachelor’s degree can be employed in his / her profession after completing only 7 semesters of study. A search is under way for methods of combining theoretical knowledge taught at universities with practical knowledge gained afterwards....
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Icosahedral Carborane Superacids and their Conjugate Bases Comprising H, F, Cl, and CN Substituents: A Theoretical Investigation of Monomeric and Dimeric Cages
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Badania urządzeń wentylacyjno-klimatyzacyjnych wykorzystujących adsorpcyjne osuszanie powietrza = Experimental and theoretical investigations into air - conditioning systems with desiccant unit
PublikacjaArtykuł dotyczy prac związanych z potrzebą ograniczenia zużycia energii w systemach wentylacyjnych i klimatyzacyjnych. Przedstawia badania nad nowoczesnymi, adsorpcyjnymi urządzeniami wentylacyjno-klimatyzacyjnymi oraz doskonaleniem metod obliczania procesów wymiany ciepła i masy w tym zakresie.
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Theoretical analysis and experimental tests of tilting pad journal bearings with shoes made of polymer material and low-boiling liquid lubrication
PublikacjaSelecting the appropriate bearing system for the rotor requires a good knowledge of the available solutions and the operating conditions of the machine. For newly designed machinery operating in adverse conditions, selecting bearings that ensure correct and long-lasting operation can be extremely challenging. Difficulties in- crease when the machine’s operating parameters are beyond the technical capabilities of available technical solutions....
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Environmentally acceptable lubricants (EAL) compared with a reference mineral oil as marine stern tube bearing lubricant – Experimental and theoretical investigations
PublikacjaThe purpose of this research is to indicate the potential differences in bearing characteristics resulting from the application of different lubricant types with the same viscosity grade. The effect of different environmentally acceptable lubricants (EALs) on hydrodynamic journal bearing properties is studied experimentally and compared to the properties obtained after lubrication with a reference mineral oil. The results of the...
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The method for determining the theoretical operation of ship diesel engines in terms of energy and assessment of the real operation of such engines, including indicators of their performance
PublikacjaDziałanie dowolnego silnika o zapłonie samoczynnym rozumiane jest jako przekazywanie odbiornikowi energii w ustalonym czasie, w którym energia jest przetwarzana i przenoszona na sposób (w formie) pracy i ciepła. Wartościowanie działania silników spalinowych instalowanych w siłowniach okrętowych, zaproponowane przez autora tego artykułu, polega na przyrównaniu działania tego rodzaju silników do wielkości fizycznej, której jednostką...
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Efficacious Alkaline Copper Corrosion Inhibition by a Mixed Ligand Copper(II) Complex of 2,2′-Bipyridine and Glycine: Electrochemical and Theoretical Studies
PublikacjaA mixed ligand copper(II) complex, namely, [Cu(BPy)(Gly)Cl]⋅2H2O (CuC) (BPy=2,2′-bipyridine and Gly=glycine), was synthesized and characterized. The synthesized CuC complex was tested as inhibitor to effectively mitigate the corrosion of copper in alkaline solutions using the linear sweep voltammetry (LSV) and linear polarization resistance (LPR) techniques. For the sake of comparison, such two D.C. electrochemical techniques were...
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Theoretical Encapsulation of Fluorouracil (5-FU) Anti-Cancer Chemotherapy Drug into Carbon Nanotubes (CNT) and Boron Nitride Nanotubes (BNNT)
PublikacjaIntroduction: Chemotherapy with anti-cancer drugs is considered the most common approach for killing cancer cells in the human body. However, some barriers such as toxicity and side effects would limit its usage. In this regard, nano-based drug delivery systems have emerged as cost-effective and efficient for sustained and targeted drug delivery. Nanotubes such as carbon nanotubes (CNT) and boron nitride nanotubes (BNNT) are promising...
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A Comprehensive Experimental and Theoretical Study on the[{(η5-C5H5)2Zr[P(µ-PNEt2)2P(NEt2)2P]}2O Crystalline System
PublikacjaThe structure of tetraphosphetane zirconium complex C52H100N8OP10Zr21 was determined by single crystal X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/c, with a = 19.6452(14), b = 17.8701(12), c = 20.7963(14)Å, α = γ = 90°, β = 112.953(7)°, V = 6722.7(8)Å3, Z = 4. The electronic structure of the organometallic complex has been characterized within the framework of Quantum Chemical Topology....
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Corrosion damage identification based on the symmetry of propagating wavefield measured by a circular array of piezoelectric transducers: Theoretical, experimental and numerical studies
PublikacjaThe article investigates the results obtained from numerical simulations and experimental tests concerning the propagation of guided waves in corroded steel plates. Developing innovative methodologies for assessing corrosion-induced degradation is crucial for accurately diagnosing offshore and ship structures exposed to harsh environmental conditions. The main aim of the research is to analyze how surface irregularities affect...
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MATHEMATICAL MODELING OF FLOOD MANAGEMENT SYSTEM IN THE CITY OF GDAŃSK, ORUŃSKI STREAM CASE STUDY
PublikacjaAim of the study This study analyses the efficiency of flood protection in a small urban catchment, based on a system of small reservoirs. Material and methods To assess the flood routing and surge reduction, a mathematical model of the river catchment was implemented. This was a lumped hydrological model, based on the SCS-CN method. Channel routing was performed, using kinematic wave equation. The sub-catchments have been determined...
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Critical review of propeller performance scaling methods based on model experiments and numerical calculations
PublikacjaThe article presents the results of experimental and theoretical investigation of propeller scale effects. The objective of this investigation is to test the adequacy of the methods currently used and to develop possible improvement of the methods.New approaches to the problem and new procedures to account for the propeller scale effects are suggested. The description of the underlying experimental and theoretical research is included.
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Quenching of bright and dark excitons via deep states in the presence of SRH recombination in 2D monolayer materials
PublikacjaTwo-dimensional (2D) monolayer materials are interesting systems due to an existence of optically non-active dark excitonic states. In this work, we formulate a theoretical model of an excitonic Auger process which can occur together with the trap-assisted recombination in such 2D structures. The interactions of intravalley excitons (bright and spin-dark ones) and intervalley excitons (momentum-dark ones) with deep states located...
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Detection of debonding in reinforced concrete beams using ultrasonic transmission tomography and hybrid ray tracing technique
PublikacjaThis paper concerns inspection of reinforced concrete elements, with particular emphasis on assessing the quality of the adhesive connection between steel and concrete. A novel theoretical model was developed to determine the paths of transmitted, refracted and reflected elastic waves as well as a creeping wave propagated along the inclusion surface. Imaging the internal structure of tested beams was based on wave propagation measurements...
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Buckling analysis of a non-concentric double-walled carbon nanotube
PublikacjaOn the basis of a theoretical study, this research incorporates an eccentricity into a system of compressed double-walled carbon nanotubes (DWCNTs). In order to formulate the stability equations, a kinematic displacement with reference to the classical beam hypothesis is utilized. Furthermore, the influence of nanoscale size is taken into account with regard to the nonlocal approach of strain gradient and the van der Waals interaction...
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Comparison and Analysis of Service Selection Algorithms
PublikacjaIn Service Oriented Architecture, applications are developed by integration of existing services in order to reduce development cost and time. The approach, however, requires algorithms that select appropriate services out of available, alternative ones. The selection process may consider both optimalization requirements, such as maximalization of performance, and constraint requirements, such minimal security or maximum development...
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Prediction of coking dynamics for wet coal charge
PublikacjaA one-dimensional transient mathematical model describing thermal and flow phenomena during coal coking in an oven chamber was studied in the paper. It also accounts for heat conduction in the ceramic oven wall when assuming a constant temperature at the heating channel side. The model was solved numerically using partly implicit methods for gas flow and heat transfer problems. The histories of temperature, gas evolution and internal...