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Search results for: direct dipole approximation
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Low-energy positron scattering from DNA nucleobases: the effects from permanent dipoles
PublicationAb initio quantum calculations for low-energy positron scattering from gas-phase isolated molecular nucleobases which are part of the DNA structure are presented and discussed over the range of 1 eV to 25 eV. The calculations report the integral cross sections (ICSs) and the momentum-transfer cross sections (MTCSs) for Adenine, Guanine, Thymine and Cytosine. The calculations show very clearly the important role of the dominant...
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Do positrons measure atomic and molecular diameters?
PublicationWe report on density functional calculations (DFT) of elastic integral scattering cross-sections for positron collisions with argon, krypton, nitrogen and methane. The long-range asymptotic polarization potential is described using higher-order terms going much beyond an induced dipole potential (−α / r 4) while the short-range interaction is modeled by two different forms of electron – positron correlation potential (Boroński-Nieminen...
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Interaction of Novel Ionic Liquids with Soils
PublicationWith the constant development of new ionic liquids, the understanding of the chemical fate of these compounds also needs to be updated. To this effect, in this contribution, the interaction of a number of novel ionic liquids with soils was determined. Therefore, three novel headgroups (ammonium, phosphonium or pyrrolidinium) with single or quaternary substitution were tested on a variety of soils with high to low organic matter...
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Accelerated Re-Design of Antenna Structures Using Sensitivity-Based Inverse Surrogates
PublicationThe paper proposes a novel framework for accelerated re-design (dimension scaling) of antenna structures using inverse surrogates. The major contribution of the work is a sensitivity-based model identification procedure, which permits a significant reduction of the number of reference designs required to render the surrogate. Rigorous formulation of the approach is supplemented by its comprehensive numerical validation using a...
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On Bayesian Tracking and Prediction of Radar Cross Section
PublicationWe consider the problem of Bayesian tracking of radar cross section. The adopted observation model employs the gamma family, which covers all Swerling cases in a unified framework. State dynamics are modeled using a nonstationary autoregressive gamma process. The principal component of the proposed solution is a nontrivial gamma approximation, applied during the time update recursion. The superior performance of the proposed approach...
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Theory of valence-band and core-level photoemission from plutonium dioxide
PublicationThe correlated-band theory implemented as a combination of the local-density approximation with the dynamical mean-field theory is applied to PuO2. An insulating electronic structure, consistent with the experimental valence-band photoemission spectra, is obtained. The calculations yield a nonmagnetic ground state that is characterized by a noninteger filling of the plutonium 5f shell. The noninteger filling as well as the satellites...
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Fast Basis Function Estimators for Identification of Nonstationary Stochastic Processes
PublicationThe problem of identification of a linear nonsta-tionary stochastic process is considered and solved using theapproach based on functional series approximation of time-varying parameter trajectories. The proposed fast basis func-tion estimators are computationally attractive and yield resultsthat are better than those provided by the local least squaresalgorithms. It is shown that two...
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Residue-Pole Methods for Variability Analysis of S-parameters of Microwave Devices with 3D FEM and Mesh Deformation
PublicationThis paper presents a new approach for variability analysis of microwave devices with a high dimension of uncertain parameters. The proposed technique is based on modeling an approximation of system by its poles and residues using several modeling methods, including ordinary kriging, Adaptive Polynomial Chaos (APCE), and Support Vector Machine Regression (SVM). The computational cost is compared with the traditional Monte-Carlo...
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FIR Filter Design Using Distributed Maximal Flatness Method
PublicationIn the paper a novel method for filter design based on the distributed maximal flatness method is presented. The proposed approach is based on the method used to design the most common FIR fractional delay filter - the maximally flat filter. The MF filter demonstrates excellent performance but only in a relatively narrow frequency range around zero frequency but its magnitude response is no greater than one. This ,,passiveness”...
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Expedited constrained multi-objective aerodynamic shape optimization by means of physics-based surrogates
PublicationIn the paper, computationally efficient constrained multi-objective design optimization of transonic airfoil profiles is considered. Our methodology focuses on fixed-lift design aimed at finding the best possible trade-offs between the two objectives: minimization of the drag coefficient and maximization of the pitching moment. The algorithm presented here exploits the surrogate-based optimization principle, variable-fidelity computational...
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RANS-based design optimization of dual-rotor wind turbines
PublicationPurpose An improvement in the energy efficiency of wind turbines can be achieved using dual rotors. Because of complex flow physics, the design of dual-rotor wind turbines (DRWTs) requires repetitive evaluations of computationally expensive partial differential equation (PDE) simulation models. Approaches for solving design optimization of DRWTs constrained by PDE simulations are investigated. The purpose of this study is to determine...
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On refined constitutive equations in the six-field theory of elastic shells
PublicationWithin the resultant six-field shell theory, the second approximation to the complementary energy density of an isotropic elastic shell undergoing small strains is constructed. In this case, the resultant drilling couples are expressed explicitly by the stress resultants and stress couples as well as by amplitudes of the quadratic and cubic distributions of an intrinsic deviation vector. The refined 2D strain-stress and stress-strain...
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Trust Dynamics Analysis of CTR Scheme Subversion under Virtual Anonymity and Trust-Unaware Partner Selection
PublicationWe propose a framework to study Markovian trust value dynamics in a centralized Computational Trust and Reputation (CTR) scheme under trust-unaware partner selection using a mean-value approximation. Analytically founded answers are sought to questions like: Can dishonest agents subvert the CTR scheme (i.e., acquire higher trust values than honest agents)? Is indirect reciprocity incentivized? Is there a qualitative impact of a...
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Evaluation of the Effectiveness of Methods for Delimitation of the Boundaries of Registered Parcels in the Process of Modernization of Land and Building Registration
PublicationIn the article, a comparative analysis of two methods for delimitation of the boundaries of registered parcels was carried out: the method of direct measurement in the field and the photogrammetric method. One of the analyzed factors was the attendance of parcels’ owners during the development of boundary recognition agreements. Research has shown that in this aspect the method of direct measurement...
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A Simulative Comparison of Ship Domains and Their Polygonal Approximations
PublicationThe paper investigates the impact of a precise ship domain shape on the size of collision avoidance manoeuvres. The considered collision avoidance manoeuvres include both course and speed alterations. Various ship domains are compared with their polygonal approximations, which vary in the number of points of a domain contour and placement of these points. The best of all considered approximations is determined in the course of...
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A Method for Optimising the Blade Profile in Kaplan Turbine
PublicationThis paper introduces a method of blade profile optimisation for Kaplan-type turbines, based on modelling the interaction between rotor and stator blades. Rotor and stator blade geometry is described mathematically by means of a midline curve and thickness distribution. Genetic algorithms are then used to find a global optimum that minimises the loss coefficient. This allows for variety of possible blade shapes and configurations....
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Response features for fast EM-driven design of miniaturized impedance matching transformers
PublicationA framework for low-cost EM-driven design optimization of compact impedance matching transformers is presented. Our technique is based on a bottom-up design where design requirements for the transformer circuit are translated into specifications for its building blocks. These elementary cells are optimized using response features. Subsequently, the entire circuit is fine-tuned using local response surface approximation models and...
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Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods
PublicationThe understanding and interpretation of experimental resonance Raman (RR) spectra can strongly benefit from theoretical simulations. These can be achieved by combining quantum chemistry (QC) methods to calculate the electronic and vibrational molecular properties, together with appropriate models and approximations to compute the Raman intensities. This chapter presents the main and most commonly employed approaches to calculate...
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Elastic scattering of electrons from chloroform
PublicationWe 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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Scheduling with Complete Multipartite Incompatibility Graph on Parallel Machines: Complexity and Algorithms
PublicationIn this paper, the problem of scheduling on parallel machines with a presence of incompatibilities between jobs is considered. The incompatibility relation can be modeled as a complete multipartite graph in which each edge denotes a pair of jobs that cannot be scheduled on the same machine. The paper provides several results concerning schedules, optimal or approximate with respect to the two most popular criteria of optimality:...
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Application of Analytic Signal and Smooth Interpolation in Pulse Width Modulation for Conventional Matrix Converters
PublicationThe paper proposes an alternative and novel approach to the PWM duty cycles computation for Conventional Matrix Converters (CMC) fed by balanced, unbalanced or non–sinusoidal AC voltage sources. The presented solution simplifies the prototyping of direct modulation algorithms. PWM duty cycles are calculated faster by the smooth interpolation technique, using only vector coordinates, without trigonometric functions and angles. Both...
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Energy Neutrality Versus Carbon Footprint Minimization In Municipal Wastewater Treatment Plants
PublicationThe study presents analysis of the carbon footprint (CF) in six medium and large-size municipal wastewater treatment plants (WWTPs) located across Poland. The novelty of the presented study is searching the relationship between level of energy neutrality and CF in the case studies. Although energy and CF go hand-in-hand to some degree but moving towards energy neutrality in WWTPs might also lead to an increase in the total CF of...
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On FEM analysis of Cosserat-type stiffened shells. Static and stability linear analysis
PublicationThe present research investigates the theory and numerical analysis of shells stiffened with beams in the framework based on the geometrically exact theories of shells and beams. Shell’s and beam’s kinematics are described by the Cosserat surface and the Cosserat rod respectively, which are consistent including deformation and strain measures. A FEM approximation of the virtual work principle leads to the conforming shell and beam...
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Long-Distance FRET Analysis: A Monte Carlo Simulation Study
PublicationZaproponowano nową metodę na rozszerzenie zakresu stosowalności rezonansowego transferu energii (FRET) przetestowaną przy pomocy metody Monte Carlo. Otrzymane rezultaty dowodzą, że wydajność procesu FRET może być znacząco zwiększona w porównaniu z wydajnością pojedynczego akceptora, gdy dla ustalonej od donora umieścimy układ blisko siebie położonych akceptorów na makromolekule. Z drugiej strony metoda ta umożliwia zwiększenie...
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Resonances and Dissociative Electron Attachment in HNCO
PublicationIn a combined experimental and theoretical study, we probe the dissociative electron attachment in isocyanic acid HNCO. The experimental absolute cross section for the NCO− fragment shows a sharp onset and fine structures near the threshold. The autoionizing state responsible for the dissociative attachment is found in both the R-matrix calculation and using analytic continuation in the coupling constant. The involved A' resonance...
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Rozpoznawanie oraz lokalizacja w obrazie przewodów linii wysokiego napięcia
PublicationW pracy przedstawiono opracowany algorytm rozpoznawania oraz lokalizacji przewodów linii wysokiego napięcia na podstawie obrazu horyzontalnego. Procedura detekcji przewodu została podzielona na trzy etapy. Pierwszy etap zawiera algorytm wykrywania krawędzi wykazujący największą czułość na krawędzie poziome, a jednocześnie brak czułości na krawędzie pionowe. Efektem jest znaczna redukcja liczby wykrytych krawędzi w porównaniu do...
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Active Dynamic Thermography imaging of wound healing processes in cardio surgery
PublicationThe surgery is a branch of medicine, that is integrally connected to wounds. Despite using sterile tools and compliance with aseptic rolls, some of the surgery wounds become infected. In clinical practice there is a lack of cheap, objective methods and tools for quantitative definition and estimation of the surgery wound healing progress. This paper presents preliminary results of Active Dynamic Thermography (ADT) parametric imaging...
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Depth Determination Accuracy of the Modified Prony Method in a Swath Mapping Application
PublicationThis article presents the performance of the modified Prony method in a swath mapping application. Depth determination accuracy is assessed by processing raw signal acquired by an EdgeTech 6205 swath bathymetry system over flat seafloor. An updated version of the method, proposed previously by the authors, is used to determine the number of signal echoes. The number of signal echoes is essential for performing the low-rank approximation...
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Using Wearable Electronics to Estimate Usefulness of Heart Rate Variability for Bathing Person Identif Cation
PublicationIn this paper the possibility of person identification based on biosignal is investigated. The work focus on the analysis of the changes in intervals between successive R-waves of electrocardiogram (ECG) recorded by wearable electronics in form of a necklaces. The main idea behind this project is to find efficient tool which may prevent sudden consciousness loss episodes or even sudden death episodes related to rapid temperature...
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Local basis function estimators for identification of nonstationary systems
PublicationThe problem of identification of a nonstationary stochastic system is considered and solved using local basis function approximation of system parameter trajectories. Unlike the classical basis function approach, which yields parameter estimates in the entire analysis interval, the proposed new identification procedure is operated in a sliding window mode and provides a sequence of point (rather than interval) estimates. It is...
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Approximate solution for Euler equations of stratified water via numerical solution of coupled KdV system
PublicationWe consider Euler equations with stratified background state that is valid for internal water waves. The solution of the initial-boundary problem for Boussinesq approximation in the waveguide mode is presented in terms of the stream function. The orthogonal eigenfunctions describe a vertical shape of the internal wave modes and satisfy a Sturm-Liouville problem. The horizontal profile is defined by a coupled KdV system which is...
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Balancing Energy Inputs/Outputs and GHG Emissions for Sustainable Wastewater Treatment – a Case Study
PublicationThe aim of the study is a model-based evaluation of the selected operating modes and technological upgrades on the energy balance and greenhouse gas (GHG) emissions in a large wastewater treatment plant in the city of Slupsk (northern Poland). The considered scenarios focus on energy savings for aeration, increasing energy recovery via biogas cogeneration and reduction of the CO2 equivalent emission from both direct processes (related...
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The consideration to the dynamic systems parameter identification
PublicationIn this paper, a concept for continuous-time dynamic systems parameter identification using modulating function approach is presented. It refers to linear as well as selected non-linear systems. It shows the possibility of direct application without converting differential equation. In particular cases direct application can decrease the amount of computation in non-linear system identification, which generally requires Fourier...
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Fading Characteristics for Dynamic Body-to-Body Channels in Indoor and Outdoor Environments
PublicationThis paper presents an analysis of the fading characteristics in dynamic body-to-body channels, based on measurements performed at 2.45 GHz in indoor and outdoor environments. The statistical analysis of the small- and large-scale fading shows that the Nakagami Distribution is the best model for the former and the Log-Normal one for the latter. An important influence of body shadowing...
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Closed-loop stimulation of temporal cortex rescues functional networks and improves memory
PublicationMemory failures are frustrating and often the result of ineffective encoding. One approach to improving memory outcomes is through direct modulation of brain activity with electrical stimulation. Previous efforts, however, have reported inconsistent effects when using open-loop stimulation and often target the hippocampus and medial temporal lobes. Here we use a closed-loop system to monitor and decode neural activity from direct...
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The Implementation of the Taxonomic Spatial Measure of Development in the Analysis of Convergence in the Standard of Living
PublicationThe main goal of this paper is to analyse the existence of the social convergence in the European Union between 19952012. The social convergence refers to a reduction in the dispersion of the standard of living across countries. A taxonomic spatial measure of development was used as the standard of living approximation. The use of the new approach proposed by E. Antczak allowed for an explanation of the disparities in the analysed...
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Ways of Harmonising Polish Competition Law with the Competition Law of the EU
PublicationThis article discusses the harmonisation of laws within the EU focusing on the specific ways of achieving an approximation of the Polish legal system with European competition law. It identifies and gives an overview of three specific ways of harmonising national laws with EU antitrust provisions: (1) spontaneous (or bottom-up) harmonisation; (2) judicial harmonisation and; (3) legislative harmonisation by means of EU Directives....
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Signature of Hydrodynamic Pressure Field
PublicationW artykule przedstawiono wyniki obliczeń pola hydrodynamicznego ciśnienia wokół okrętu specjalnego jako funkcji przestrzennej, obliczonej metodą brzegową. Obliczone pola ćiśnienia hydrodynamicznego jest porównywane z pomierzonym polem okrętu na morzu, przy czym opis kształtu kadłuba okrętu jest przybliżony. Przedstawione wyniki obliczeń uzyskano stosując warstwę pojedynczą , którą stanowią źródła o rozkładzie ciągłym. Skonstruowany...
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A Compact Basis for Reliable Fast Frequency Sweep via the Reduced-Basis Method
PublicationA reliable reduced-order model (ROM) for fast frequency sweep in time-harmonic Maxwell’s equations by means of the reduced-basis method is detailed. Taking frequency as a parameter, the electromagnetic field in microwave circuits does not arbitrarily vary as frequency changes, but evolves on a very low-dimensional manifold. Approximating this low-dimensional manifold by a low dimension subspace, namely, reduced-basis space, gives...
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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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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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The Effect of Flexible Pavement Mechanics on the Accuracy of Axle Load Sensors in Vehicle Weigh-in-Motion Systems
PublicationWeigh-in-Motion systems are tools to prevent road pavements from the adverse phenomena of vehicle overloading. However, the effectiveness of these systems can be significantly increased by improving weighing accuracy, which is now insufficient for direct enforcement of overloaded vehicles. Field tests show that the accuracy of Weigh-in-Motion axle load sensors installed in the flexible (asphalt) pavements depends on pavement temperature...
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Energy neutrality versus carbon footprint minimization in municipal wastewater treatment plants
PublicationThis work aimed to compare the carbon footprint (CF) of six full-scale wastewater treatment plants (WWTPs). The CF was estimated in the range of 23–100 kg CO2e per population equivalent. In the total CF, the direct emissions held the highest share (62–74%) for the plants with energy recovery from biogas. In the plants depending entirely on the power grid, the indirect emissions due to energy consumption dominated the total CF (69–72%)....
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Nonreciprocal cavities and the time-bandwidth limit: comment
PublicationIn their paper in Optica 6, 104 (2019), Mann et al. claim that linear, time-invariant nonreciprocal structures cannot overcome the time-bandwidth limit and do not exhibit an advantage over their reciprocal counterparts, specifically with regard to their time-bandwidth performance. In this Comment, we argue that these conclusions are unfounded. On the basis of both rigorous full-wave simulations and insightful physical justifications,...
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An Analysis of Scattering from Ferrite Post of Arbitrary Convex Cross Section with the Use of Field Matching Method
PublicationA problem of electromagnetic wave scattering from ferrite post is presented. The post is assumed to be located in closed areas as waveguide junction, or in open area illuminated by a plane wave. The object is of arbitrary convex cross section and the method of analysis is semi-analytical, based on the direct field matching technique.
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Enhancing capabilities of Atomic Force Microscopy by tip motion harmonics analysis
PublicationMotion of a tip used in an atomic force microscope can be described by the Lennard-Jones potential, approximated by the van der Waals force in a long-range interaction. Here we present a general framework of approximation of the tip motion by adding three terms of Taylor series what results in non-zero harmonics in an output signal. We have worked out a measurement system which allows recording of an excitation tip signal and its...
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Approximate models and parameter analysis of the flow process in transmission pipelines
Publicationthe paper deals with the problem of early leak detection in transmission pipelines. First we present the derivation of state-space equations of the flow process in the pipelines. This description is then aggregated in order to obtain a principal model. Next, the problem of process model parameterization is addressed, taking into account the maximization of a model stability margin. The location of the maximum is determined using...
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Convergence of rational multistep methods of of Adams-Padé type
PublicationRational generalizations of multistep schemes, where the linear stiff part of a given problem is treated by an A-stable rational approximation, have been proposed by several authors, but a reasonable convergence analysis for stiff problems has not been provided so far. In this paper we directly relate this approach to exponential multistep methods, a subclass of the increasingly popular class of exponential integrators. This natural,...
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Energy conversion in systems-contained laser irradiated metallic nanoparticles - comparison of results from analytical solutions and numerical methods
PublicationThis work introduces the theoretical method of metallic nanoparticles’ (NPs’) heat and mass transfer where the particles are coated on a surface (base), together with considering the case wherein nanoparticles move freely in a pipe. In order to simulate the heat transfer, energy and radiative transfer equations are adjusted to the considered issue. NPs’ properties are determined following the nanofluidic theories, whereas absorption...
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Energy Consumption Analysis Methods in Industry
PublicationThis paper overviews applied methods to evaluate energy consumption in Industry. The most important law regulations are presented, which decide on the necessity to conduct an effec - tive energetic economy. Basic assumptions are defined to calculate direct and cumulative energy consumption. The pros and cons of using each method are presented.