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Search results for: FIRST-PRINCIPLES CALCULATIONS
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No Quantum Realization of Extremal No-Signaling Boxes
PublicationThe study of quantum correlations is important for fundamental reasons as well as for quantum communication and information processing tasks. On the one hand, it is of tremendous interest to derive the correlations produced by measurements on separated composite quantum systems from within the set of all correlations obeying the no-signaling principle of relativity, by means of information-theoretic principles. On the other hand,...
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Development of trolleybus public transport in Gdynia as part of sustainable mobility strategy
PublicationIn many EU cities trolleybuses are experiencing a period of revitalization. New lines, new and modern trolley-buses, the use of auxiliary propulsion battery, eco-logical values and others, create great opportunities for that kind of public transport as an effective tool to shape transport policy in accordance with the principles of sustainable mobility. Gdynia is one of three cities in Poland with trolleybuses public transport...
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Influence of type of material on performance of hydraulic components in thermal shock conditions
PublicationDuring the start-up of a hydraulic system in low ambient temperatures an incorrect operation may occur. The principles and conditions of safely operating hydraulic driven machines and devices are essential to designers and operators. For this reason the author of this article has conducted a series of tests on hydraulic components and systems in thermal shock conditions (cooled-down components were supplied with hot working medium)....
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Project-Based Collaborative Research and Training Roadmap for Manufacturing Based on Industry 4.0
PublicationThe importance of the economy being up to date with the latest developments, such as Industry 4.0, is more evident than ever before. Successful implementation of Industry 4.0 principles requires close cooperation of industry and state authorities with universities. A paradigm of such cooperation is described in this paper stemming from university partners with partly overlapping and partly complementary areas of expertise in manufacturing....
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First-order differential equations with nonlocal boundary conditions
PublicationWe study a first-order boundary value problem subject to some boundary conditions given by Riemann-Stieltjes integrals. Using a monotone iterative method, we formulate sufficient conditions which guarantee the existence of extremal or quasi-solutions in the corresponding region bounded by upper and lower solutions of our problems. The case when a unique solution exists is also investigated. Some examples are given to illustrate...
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Nondestructive methods complemented by FEM calculations in diagnostics of cracks in bridge approach pavement
PublicationNondestructive methods of road pavement diagnostics are an alternative to traditional approach to pavement failure investigation. The article presents a detailed multidisciplinary inspection carried out using ground-penetrating radar (GPR), laser scanning technology and finite element method (FEM) calculations. It was done in order to assess the factors that contributed to occurrence of premature cracks of a bridge approach pavement....
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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublicationThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
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Electron-scattering cross sections for selected alkyne molecules: Measurements and calculations
PublicationWe report cross-section results from experimental and theoretical studies on electron collisions with 1-butyne (HC≡C–CH2CH3) and acetylene (HC≡CH) molecules and from computations for a propyne (HC≡C–CH3) molecule. Absolute grand -total electron-scattering cross sections (TCSs) were measured at impact energies ranging from about 0.5 to 300 eV using the linear electron-transmission method. The TCS energy curve for 1-butyne has a...
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Syntheses and structures of the first terminal phosphanylphosphido complexes of molybdenum(IV)
PublicationThe reactions of R2P-P(SiMe3)Li (R = tBu, iPr2N) with [Cp2MoCl2] yield terminal phosphanylphosphido complexes formally via the insertion of the phosphinidene P-atom into the C - H bond of a cyclopentadienyl ring and the migration of the hydrogen atom or SiMe3 moiety to the molybdenum centre. Solid state structures of [Cp(C5H4P-PtBu2)MoH], [Cp(C5H4P-PtBu2)Mo(SiMe3)] and [Cp{C5H4P-P(NiPr2)2}Mo(SiMe3)] were established by single crystal...
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Environmental Principles of Architectural & Urban Design 2023/2024
e-Learning Courses -
Ab initio and density functional theory calculations of proton affinities for volatile organic compounds
PublicationThe Hatree-Fock method with 6-311G** split-valence molecular orbitals basis sets and the density function theory-B3LYP have been applied to geometrical optimizations and calculations of total electronic, zero point vibrational energies and proton affinities at 298 K for volatile organic compounds. Calculated values of proton affinities are compared with experimental data.
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Urban and Road Engineering - Smolnicki
e-Learning CoursesLectures about "Urban and Road Engineering", dedicated to sixth semester of the English-speaking group, will be conducted in a way that activates students. Lectures on Road Engineering cover a wide range of important issues related to the subject, starting from a discussion of the historical circumstances of the creation, development and domination of the contemporary conventional model, through identifying new approaches and...
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First Peoples Child & Family Review
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Computed vibrational excitation ofCF4by low-energy electrons and positrons: Comparing calculations and experiments
PublicationQuantum calculations for the excitation of the asymmetric modes of the CF4 target gas, ν3 and ν4, by impact of low-energy electrons and positrons are carried out in the energy range around 1 eV and are compared with recent experimental findings. The similarities and differences between the two types of projectiles, and the two different modes, are analyzed and discussed vis à vis the present accord with the experimental results.
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Monotone iterative method for first-order differential equations at resonance
PublicationThis paper concerns the application of the monotone iterative technique for first-order differential equations involving Stieltjes integrals conditions. We discuss such problems at resonance when the measure in the Stieltjes integral is positive and also when this measure changes the sign. Sufficient conditions which guarantee the existence of extremal, unique and quasi-solutions are given. Three examples illustrate the results.
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The Impact of Ergonomic Guiding Principles on the Formation of Modern Monumental Art
PublicationCommemoration of historic events is now a commonplace phenomenon both in culture and in academic research. The phenomenon is linked to an increase in the representation of the visualisation of the past in public sphere, which in turn leads to reformulation of monumental art. Modern monuments are often spatial forms consisting both of sculpture installation and bigger constructions. In case of these realisations, the designers,...
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Comparision principles for parabolic differential - functional initial - value problems.
PublicationBadamy paraboliczne równania z zależnością funkcyjną i podajemy kryteria jednoznaczności przy warunkach porównawczych typu Perrona i Lipschitza dla nieliniowej prawej strony. W przypadku gdy zależność funkcyjna dotyczy również pochodnej funkcji niewiadomej, to stosujemy nierówności typu Henry'ego.
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SMART AND RESILIENT CITIES – NEW CHALLENGES FOR POLISH CITIES IN TERMS OF 2020 BUILDING ENERGY EFFICIENCY AND CLIMATE CHANGE ACTION.
PublicationGlobal climate change action along with energy efficiency optimizations are becoming increasingly pressing principles in terms of moving towards sustainable development. As a member of EU and UN Poland is also obliged to follow restricted rules concerning energy efficiency of buildings which come to force in 2020. To meet new goals, innovative approaches - like moving towards smart and resilient cities -may be required. Through...
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Modeling of a Quasi-Resonant DC Link Inverter Dedicated to Common-Mode Voltage and Ground Current Reduction
PublicationIn this paper, the modeling methodology of the AC drive system with a Parallel Quasi-Resonant DC Link Inverter (PQRDCLI) is described. A presented modeling approach is an attractive tool used for the effective evaluation of a common-mode (CM) voltage and grounds current reduction methods. Designed models of inverter, induction machine (IM), and cable are simple, thus the methods for parameter extraction are not complicated. Verification...
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Communication and Documentation Practices in Agile Requirements Engineering: A Survey in Polish Software Industry
PublicationRequirements engineering, system analysis and other analytical activities form the basis of every IT project. Such activities are not clearly defined in Agile development methods, but it does not mean that they are absent in an agile project. The aim of our work was to determine which practices related to requirements-related communication and which requirements documenting techniques are used in agile software projects. For this...
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Direct modulation for conventional matrix converters using analytical signals and barycentric coordinates
PublicationThis paper proposes the generalized direct modulation for Conventional Matrix Converters (CMC) using the concept of analytical signals and barycentric coordinates. The paper proposes a novel approach to the Pulse Width Modulation (PWM) duty cycle computing, which allows faster prototyping of direct control algorithms. The explanation of the new idea using analytical considerations demonstrating the principles of direct voltage...
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Explicit Size-Reduction-Oriented Design of a Compact Microstrip Rat-Race Coupler Using Surrogate-Based Optimization Methods
PublicationIn this paper, an explicit size reduction of a compact rat-race coupler implemented in a microstrip technology is considered. The coupler circuit features a simple topology with a densely arranged layout that exploits a combination of high- and low-impedance transmission line sections. All relevant dimensions of the structure are simultaneously optimized in order to explicitly reduce the coupler size while maintaining equal power...
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Quantum and carbon dots conjugated molecularly imprinted polymers as advanced nanomaterials for selective recognition of analytes in environmental, food and biomedical applications
PublicationSamples with complex matrix analyzed during explanation of pathogenesis of various diseases and food or environmental monitoring request advanced analytical and instrumental devices. Among the materials used for described purposes, quantum (QDs) or carbon dots (CDs) layered by molecularly imprinted polymer (MIP) shells have gained widespread attention. Unique optical and physicochemical properties of QDs/CDs together with high...
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Development of Strategies for AOB and NOB Competition Supported by Mathematical Modeling in Terms of Successful Deammonification Implementation for Energy-Efficient WWTPs
PublicationNovel technologies such as partial nitritation (PN) and partial denitritation (PDN) could be combined with the anammox-based process in order to alleviate energy input. The former combination, also noted as deammonification, has been intensively studied in a frame of lab and full-scale wastewater treatment in order to optimize operational costs and process efficiency. For the deammonification process, key functional microbes include...
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Mass Spectrometry-Based Direct Analytical Techniques
PublicationDirect analysis of samples is considered as one of the most environmentally sustainable solutions in analytical chemistry. In the ideal case, such solutions do not require sample preparation and analytes separation steps, therefore do not consumpt harmful substances (or consumpt only minimum amounts of them) and do not generate hazardous waste. Technical solutions for direct analysis also offer miniaturized and field-portable analyzers...
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Do Leonardo da Vinci’s drawings, room acoustics and radio astronomy have anything in common?
PublicationAfter introducing Leonardo da Vinci’s (LdV) predecessors in the field of light propagation research, his drawings on the topic of reflecting light by a spherical mirror are analysed. The discovery of LdV is presented, according to which, at an infinitely distant source of rays, a small fragment of the canopy is enough to generate a focus, while the rest of the mirror forms a caustic for which LdV did not indicate an application....
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Soxhlet Extraction and New Developments Such as Soxtec in: Comprehansive Sampling and Sample Preparation
PublicationSoxhlet extraction is one of the most popular techniques for extraction of analytes from solid materials. Since its discovery in 1879, the standard Soxhlet technique has been routinely applied in almost every analytical laboratory. Up to this day, Soxhlet extraction technique remains a standard technique to which the performance of modern extraction techniques is compared.Over the years, an intensive research on different modifications...
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TASTE QUALITIES ESTIMATION BY TASTE SENSE AND ELECTROCHEMICAL SENSORS
PublicationThe principles of taste sense and kinds of tastes (sweet, salty, sour, bitter, umami and fat) have been described. Food quality estimation by taste sense: organoleptic testing and sensory analysis has been presented. The principle of operation of potentiom etric sensor composed of several Ion Selective Electrodes or All Solid State Electrodes with polymeric membranes and macromolecular chemical compounds sensitive to substances...
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Detection of the First Component of the Received LTE Signal in the OTDoA Method
PublicationIn a modern world there is a growing demand for localization services of various kinds. Position estimation can be realized via cellular networks, especially in the currently widely deployed LTE (Long Term Evolution) networks. However, it is not an easy task in harsh propagation conditions which often occur in dense urban environments. Recently, time-methods of terminal localization within the network have been the focus of attention,...
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Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations
PublicationThe highest resolution vacuum ultraviolet photoabsorption spectrum of isobutyl formate, C5H10O2, yet reported is presented over the energy range 4.5−10.7 eV (275.5−118.0 nm) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator...
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First report on echinocandin resistant Polish Candida isolates
PublicationPurpose: Candida spp. are ranked as one of the four major causative agents of fungal infections. The number of infections caused by Candida species resistant to fluconazole, which is applied as the first line drug in candidiasis treatment, increases every year. In such cases the application of echinocandin is necessary. Echinocandin susceptibility testing has become a routine laboratory practice in many countries due to the increasing...
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Computer-Aided Calculations of Earth Potential Rise in High Voltage Overhead Lines
PublicationHigh voltage overhead power lines with earth wires comprise towers made of conductive material. Some towers are in locations where people can be expected to be either for a long time or for a short time but very frequently. Evaluation of shock hazard near such towers requires calculation of line-to-earth short-circuit current, earth current and especially earth potential rise. Number of towers in high voltage power lines can exceed...
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On the dervative of the Legendre function of the first kind with respect to its degree [Corrigendum]
PublicationSkorygowano błąd matematyczny w pracy: R. Szmytkowski, On the derivative of the Legendre function of the first kind with respect to its degree, J. Phys. A: Math. Gen. Vol. 39(2006) s. 15147-15172 [744014]
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JMATRIX - a package for relativistic J-matrix calculations in elastic scattering of electrons from model potentials
PublicationWe present a software package JMATRIX, consisting of two computer codes written in FORTRAN 95 and parallelized with OpenMP, implementing the so-called J-matrix method, applied to elastic scattering of electrons on the radial potential, vanishing faster than Coulomb one. In the J-matrix method, physical scattering problem is replaced by using well-defined model, which is solved analytically. Presented software implements both non-relativistic...
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Co-Living or a “Sandpit” for Future Entrepreneurs. First Experience from Poland.
PublicationNowadays, the Western world seems saturated with the myriad of enhancements for entrepreneurship development. Also, in Eastern European countries we observe a growing number of initiatives at different organizational levels, aiming at accompanying potential future entrepreneurs in their efforts. Meanwhile, there is one novelty, never before offered on the Polish market – the first co- -living space, launched in Gdañsk. Therefore,...
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Quantum-classical calculations of the nanomechanical properties of metals
PublicationTradycyjnie symulacje komputerowe układów w skali atomowej prowadzone są przy użyciu klasycznej metody dynamiki molekularnej (MD) bądź kwantowych metod ab initio. Główną wadą ujęcia klasycznego jest jego empiryczna natura, a co za tym idzie - niewielka przenośność, jego prostota natomiast pozwala na przeprowadzanie symulacji układów zawierających miliony atomów. W wyniku zastosowania metod kwantowych otrzymuje się bardziej wiarygodne...
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Displacements of chimney in the light of computer calculations and surveying
PublicationThe article presents the numerical analysis of reinforced concrete chimney displacements, which was carried out geodetic measurements.
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First Outcomes of an Investigation about Daylighting Knowledge and Education in Europe
PublicationDAYKE (Daylighting Knowledge in Europe) is a project to investigate the daylighting knowledge and skills of Architecture students and practitioners from different countries within the European Union. This paper introduces the first stage of the research and provides results from a direct survey taken by 161 students from seven schools of Architecture: two in Italy, one in The Netherlands, two in Poland and two in Spain. The results...
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Medially positioned plate in first metatarsophalangeal joint arthrodesis
PublicationObjective The purpose of this study was to biomechanically compare the stability of first metatarsophalangeal (MTP1) joint arthrodesis with dorsally and medially positioned plates. Methods A physical model of the MTP1 joint consists of printed synthetic bones, a titanium locking plate and screws. In the experiments, samples with dorsally and medially positioned plates were subjected to loading of ground load character in a universal...
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Assessment of the Influence of Road Infrastructure Parameters on the Behaviour of Drivers and Pedestrians in Pedestrian Crossing Areas
PublicationPedestrians are participants and, most likely, fatalities in every third road traffic accident in Poland. Over 30% of all fatalities on Polish roads are pedestrians. Accidents with pedestrians are very often the result of various factors related to the infrastructure and behaviour of pedestrians and drivers. The objective of the work was to assess driver and pedestrian behaviour in pedestrian crossing areas. The research also served...
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Installation of GNSS receivers on a mobile railway platform – methodology and measurement aspects
PublicationDetermining the course of a railway track axis using satellite methods relies on ensuring the precise assembly of GNSS receivers in dedicated measuring devices. Depending on the number of receivers, solutions that are based on placing the apparatus directly above the railway track axis (as well as in eccentric positions) are used to indirectly obtain data to form the basis of the desired results. This publication describes the...
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Low-Power WSN System for Honey Bee Monitoring
PublicationThe paper presents a universal low-power system for biosensory data acquisition in scope of bees monitoring. We describe the architecture of the system, energy-saving components as well as we discuss the selection of used sensors. The work focuses on energy optimization in a scope of wireless communication. A custom protocol was implemented, which is the basis for presented energy-efficient devices. Data exchange process during...
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Carsharing - Opportunities and Threats for Cities: Proposals of Solutions for Urban Policy
PublicationThe carsharing of a current generation is a short-term car renting service with a capability to find in the nearest surrounding a fleet car parked anywhere in the public space where the previous user left it, as well as to book, open, rent and pay of, with the use of a dedicated mobile application. Nowadays, only a minority of municipalities is considering implementing the carsharing in their policies. The lack of awareness of...
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Analytical methodologies for determination of artificial sweeteners in foodstuffs- a review
PublicationArtificial high-intensity sweeteners are more and more frequently used for food production. Food industry tends to highlight beneficial aspects of their use, such as tooth-friendliness, rising-up quality of life of those suffering from different forms of diabetes and possibility of weight control without sacrificing favorite unhealthy drinks or snacks. On the other hand some of the consumers are deeply concerned about safety of...
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Innovative Bidirectional Isolated High-Power Density On-Board Charge for Vehicle-to-Grid
PublicationThis paper deals with developing and implementing a bidirectional galvanically isolated on-board charger of a high-power density. The power density of the new charger was 4 kW/kg and 2.46 kW/dm3, and the maximum efficiency was 96.4% at 3.4 kW. Due to the requirement to achieve a high-power density, a single-stage inverter topology was used. Regarding switching losses, due to the topology of the circuit with so-called hard switching,...
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The effect of external load on ultrasonic wave attenuation in steel bars under bending stresses
PublicationThe stress state in deformed solids has a significant impact on the attenuation of an ultrasonic wave propagating through the medium. Measuring a signal with certain attenuation characteristics can therefore provide useful diagnostic information about the stress state in the structure. In this work, basic principles behind a novel attenuation-based diagnostic framework are introduced. An experimental study on steel bars under three-point...
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Buck-Boost Inverters with Symmetrical Passive Four-terminal Networks
PublicationAlternating Voltage Inverters (Converters) supplied by low-voltage sources DC (ex. fuel cell, photovoltaic cell) are most frequently realized on the basis of the three fundamental topologies: a) PWM voltage inverter with boost-converter" system, b) PWM voltage inverter with transformed converter DC/DC in the ,,boost-converter" system, c) PWM current converter. However none of these solutions is claimed to be the best and dominant...
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EXPERIENCE-ORIENTED SMART EMBEDDED SYSTEM
PublicationThe Experience-Oriented Smart Embedded System (EOSES) is proposed as a new technological platform providing a common knowledge management approach that allows mass embedded systems for experiential knowledge capturing, storage, involving, and sharing. Knowledge in the EOSES is represented as SOEKS, and organized as Decisional DNA. The platform is mainly based on conceptual principles from Embedded Systems and Knowledge Management....
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Potentiometric Oxygen Sensor with Solid State Reference Electrode
PublicationThe concentration or the partial pressure of oxygen in an environment can be determined using different measuring principles. For high temperature measurements of oxygen, ceramic-based sensors are the most practical. They are simple in construction, exploration and maintenance. A typical oxygen potentiometric sensor consists of an oxygen ion conducting solid electrolyte and two electrodes deposited...
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Gender approaches to evolutionary multi-objective optimization using pre-selection of criteria
PublicationA novel idea to perform evolutionary computations (ECs) for solving highly dimensional multi-objective optimization (MOO) problems is proposed. Following the general idea of evolution, it is proposed that information about gender is used to distinguish between various groups of objectives and identify the (aggregate) nature of optimality of individuals (solutions). This identification is drawn out of the fitness of individuals...