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Wyniki wyszukiwania dla: POTENCIAL ENERGY CURVES
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Potential Energy Curves of Diatomic Alkali Molecules Datasets
PublikacjaThe datasets described in this article contain potential energy curves for several diatomic systems. The data was obtained via high-performance computing using MOLPRO, a system of ab initio programs for advanced molecular electronic structure calculations. The datasets allow to model bond lengths, energy levels, spectra and time-evolution of molecular dimers for which the data are presented.
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Quasirelativistic potential energy curves and transition dipole moments of NaRb
PublikacjaWe report on extensive calculations of quasi-relativistic potential energy curves and, for the first time, transition dipole moments including spin-orbit and scalar-relativistic effects of the NaRb molecule. The calculated curves of the 0+, 0-, 1, 2 and 3 molecular states correlate for large internuclear separation with the fourteen lowest atomic energies up to the Na(3s ^2S_{1/2}) + Rb(7s ^2S_{1/2}) atomic limit. Several new features...
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Potential energy curves, transition and permanent dipole moments of KRb
PublikacjaWe present extensive calculations of 48 adiabatic potential energy curves of the KRb molecule. Efforts have been focused on preparing the appropriate basis sets. Compared to previous approaches, the set of new potential energy curves is extended to higher excitations, including the single-excited K(4s2S)+Rb(5d2D) and double-excited K(4p2P)+Rb(5p2P) atomic limits. Larger distances between nuclei are also taken into account. New...
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Born–Oppenheimer potential energy curves of NaK from the optimised atomic basis sets
PublikacjaThe article presents adiabatic potential energy curves of the ground and excited electronic states for the diatomic NaK molecule. The calculations were made using the ab initio computational methods to include electron correlation. The studied molecule was calculated as the effective two-electron problem, in which only the valence electrons of the molecule are explicitly taken into account. The remaining electrons with atomic nuclei...
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Possible schemes of photoassociation processes in the KLi molecule with newly calculated potential energy curves
PublikacjaWe present four promising schemes for photoassociative formation of KLi molecule in its ground electronic state. Analysis is based on newly calculated adiabatic potentials supported by transition dipole moments and Franck-Condon factors.
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Curves of thermodynamic states in some fluids with dispersion
Publikacjavariations in the thermodynamic state of a dispersive medium, caused by sound, are studied. A bubbly liquid and a Maxwell fluid are considered as examples. Curves in the plane of thermodynamic states are plotted. They are in fact pictorial images of linear relations of excess pressure and excess density in the acoustic wave which reflect irreversible attenuation of the sound energy. The curves account for the nonlinear generation...
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Hysteresis curves for some periodic and aperiodic perturbations in gases
PublikacjaEvolution of sound in a medium whose properties irreversibly vary in the course of wave propagation, is studied. For example, a gas that is a particular case of a Newtonian fluid is considered. Hysteresis curves, pictorial representations of irreversible attenuation of the sound energy, in the plane of thermodynamic states are plotted. The irreversible losses in internal energy are proportional to the total attenuation and depend...
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Singular curves in the resultant thermomechanics of shells
PublikacjaSome geometric and kinematic relations associated with the curve moving on the shell base surface are discussed. The extended surface transport relation and the extended surface divergence theorems are proposed for the piecewise smooth tensor fields acting on the regular and piecewise regular surfaces. The recently formulated resultant, two-dimensionally exact, thermodynamic shell relations - the balances of mass, linear and angular...
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Prospects in elongation of railway transition curves
PublikacjaThe paper presents an analysis of the elongation of transition curves in relation to railway track alignment correction and modernisation. The analysis is based on numerical computations for a wide range of parameters describing a typical railway geometrical layout with transition curves. The differences between the horizontal ordinates of the existing layout and the layout with the elongated transition curves are evaluated and...
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Bifractal receiver operating characteristic curves: a formula for generating receiver operating characteristic curves in credit-scoring contexts
PublikacjaThis paper formulates a mathematical model for generating receiver operating characteristic (ROC) curves without underlying data. Credit scoring practitioners know that the Gini coefficient usually drops if it is only calculated on cases above the cutoff. This fact is not a mathematical necessity, however, as it is theoretically possible to get an ROC curve that keeps the same Gini coefficient no matter how big a share of lowest...
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Identification of transition curves in vehicular roads and railways
PublikacjaIn the paper attention is focused on the necessity to systematize the procedure for determining the shape of transition curves used in vehicular roads and railway routes. There has been presented a universal method of identifying curvature in transition curves by using differential equations. Curvature equations for such known forms of transition curves as clothoid, quartic parabola, the Bloss curve, cosinusoid and sinusoid, have...
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Hysteresis curves and loops for harmonic and impulse perturbations in some non-equilibrium gases
PublikacjaEvolution of sound in a relaxing gas whose properties vary in the course of wave propagation, is studied. A relaxing medium may reveal normal acoustic properties or be acoustically active. In the first case, losses in acoustic energy lead to an increase in internal energy of a gas similarly as it happens in Newtonian fluids. In the second case, acoustic energy increases in the course of sound propagation, and the internal energy...
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Assessing vehicle restraint systems on horizontal curves
PublikacjaHorizontal curves, an element of road infrastructure, have a statistically high number of accidents. Considering that horizontal curves in the last ten years have had app. 10% of all road accidents representing app. 14% of all fatalities on Polish roads, the issue is serious and requires more research and proper road safety treatments. Data for 2007 - 2016 show that in the case of accidents on horizontal curves app. 45% of the...
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Singular Surface Curves in the Resultant Thermodynamics of Shells
PublikacjaWithin six-parameter shells theory we discuss the governing equations of shells with material or non-material singular curves. By singular curve we mean a surface curve where are discontinuities in some surface fields. As an example we consider shells with junctions and shells undergoing stress-induced phase transitions.
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Analytical design method of reverse curves
PublikacjaThe paper deals with a new approach relating to the design of the region of railway track direction alteration adapted to Mobile Satellite Measurements technique. The method may be particularly useful in situations when both the straights of the route directions cannot be connected in an elementary way using a circular arc with transition curves; this also refers to the application of a compound curve. Thus the only solution becomes...
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Municipality’s financial potencial and policy of flood risk management in Poland
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How to model ROC curves - a credit scoring perspective
PublikacjaROC curves, which derive from signal detection theory, are widely used to assess binary classifiers in various domains. The AUROC (area under the ROC curve) ratio or its transformations (the Gini coefficient) belong to the most widely used synthetic measures of the separation power of classification models, such as medical diagnostic tests or credit scoring. Frequently a need arises to model an ROC curve. In the biostatistical...
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Design of compound curves adapted to the satellite measurements
PublikacjaThe paper deals with a novelty related to the design of a region for an alternative railway track direction adequate for mobile satellite measurements. The new approach may become particularly useful in the design of the existing track axis control when the determination of both the main track directions becomes impossible. The only solution in that case is to apply to the geometrical system two circular arcs of a different radius,...
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Time-current tripping curves of arc fault detection devices
PublikacjaTripping curves of arc fault detection devices, in accordance with PN-EN 62606 “General requirements for arc fault detection devices” have been presented in the paper. Consequently the most fundamental differences in arc fault detection devices tripping compared to circuit-breakers and residual current devices have been indicated.
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Design of reverse curves adapted to the satellite measurements
PublikacjaThe paper presents a new method for designing railway route in the direction change area adapted to the Mobile Satellite Measurements technique. The method may be particularly useful in the situations when both tangents cannot be connected in an elementary way using a circular arc with transition curves. Thus, the only solution would be the application of two circular arcs of opposite curvature signs, that is, the use of an inverse...
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The assessment of renewable energy in Poland on the background of the world renewable energy sector
PublikacjaThe issues of the article are associated with the development of the renewable energy source (RES) sector in the world and in Poland. The subject is undoubtedly connected with the problem of the energy transformation taking place in most countries nowadays. Energy transformation processes are mainly associated with an increase in the share of energy production from RES and increased awareness of energy use by end consumers. This...
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The regional energy transformation in the context of renewable energy sources potential
PublikacjaThe topics addressed in the article concern the problem of exploiting the potential of renewable energy sources (RES) at the regional level and the problem of the course of regional energy transition processes. Throughout the world, energy transition proceeds in a specific way for each country, due to the different potential of the selected RES and political, institutional and socio-economic conditions. Energy transition processes...
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Determination of the chemical structure of potencial organic impurities occuring in the drug substance opopramol
PublikacjaThe tricyclic antipsychotic and antidepressant drug opipramol was examined with regard to the chemical structure of its organic impurities. Impurities were isolated from the technical product by chromatographic methods and their chemical structures were estabilished by HMNR, MS and FTIR.
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Comparative Analysis of Developed Rainfall Intensity–Duration–Frequency Curves for Erbil with Other Iraqi Urban Areas
PublikacjaRainfall Intensity–Duration–Frequency (IDF) relationships are widely used in water infrastructure design and construction. IDF curves represent the relationship between rainfall intensity, duration, and frequency, and are obtained by analyzing observed data. These relationships are critical for the safe design of flood protection structures, storm sewers, culverts, bridges, etc. In this study, the IDF curves and empirical IDF formulas...
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Determination of p-y curves for offshore piles based on in-situ soil investigations
PublikacjaOffshore piles are subjected to complex loads with considerable lateral component. The pile-soil response to lateral loads can be described with the p-y method. For a given depth the load–deflection relationship is built to simulate the surrounding soil stiffness. This state-of-art paper presents a brief discussion of determination methods for the p-y curves using a standard approach based on the soil parameters derived from laboratory...
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Numerical Analysis of TB32 Crash Tests for 4-cable Guardrail Barrier System Installed on the Horizontal Convex Curves of Road
PublikacjaHorizontal curves are one of the elements of road infrastructure where statistically a relatively high number of accidents have been reported. In the last ten years in Poland approx. 10% of all road accidents happened on horizontal curves of roads and was responsible for approx. 14% of all fatalities on Polish roads. Thus, this issue is important and requires extensive research and proper road safety treatments. One possible measure...
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Collaborative development model and strategies of multi-energy industry clusters: Multi-indicators analysis affecting the development of coastal energy clusters
PublikacjaThe paper explores Coastal Energy-Based Industrial Clusters (EBICs) and their role in advancing energy efficiency and sustainability through collaborative innovation. Economic growth theory and energy sustainability have been introduced into industrial clusters to illustrate indicators that have a greater impact on the development of EBICs. This paper proposes an EBICs development model based on the Cobb-Douglas function, in which...
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Clean energy in the European Union: Transition or evolution?
PublikacjaIn this paper, we analyse two phenomena. First, the relationship between greenhouse gases emission and effectiveness of the European Union energy policies and second the transition from the fossil fuels to renewable energy sources. We run two-step data analysis concerning 25 European Union member states in the period from 1990 to 2018. We use information on greenhouse gases emission, introduction of new energy policies, source...
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Energy policy and the role of bioenergy in Poland
PublikacjaPrzedstawiono sytuacje energetyczną kraju. Omówiono poszczególne sektory wytwarzania energii oraz zapotrzebowania na energię i paliwa. Omówiono przekształcenia sektorów energetycznych w Polsce na przestrzeni lat 1990-2002. Na tym tle przedstawiono techniczne, ekonomiczne, społeczne i prawne aspekty rozwoju energetyki źródeł odnawialnych a w szczególności opartych o bioenergię. Przedstawiono wnioski dla Polski płynące z dotychczasowych...
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Effects of Deck-Abutment Pounding on the Seismic Fragility Curves of Box-Girder Highway Bridges
PublikacjaEarthquake-induced pounding in bridges is a complex contact phenomenon in which the dynamic responses of structures, including collisions between deck and abutments, are strongly related to structural properties and earthquake excitation. The goal of this study is to develop and compare the seismic fragility curves of overall system and individual components of regular and irregular box-girder highway bridges in two cases: with...
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Dynamics of Railway Vehicles Movement on Transition Curves
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Floodable length curves based on probability of survival.
PublikacjaPrzedstawiono możliwość obliczanie krzywych grodziowych dla statku o mieszanym podziale grodziowym dla zadanej wartości mnożnika s, traktowanego jako parametr. Krzywe takie, dotąd nie stosowane, mogą znacznie ułatwić optymalizowanie podziału grodziowego względem wskaźnika niezatapialności.
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On jump conditions at non-material singular curves in the resultant shell thermomechanics
PublikacjaThe global, refined, resultant, two-dimensional (2D) balance laws of mass, linear and angular momenta, and energy as well as the entropy inequality were formulated by Pietraszkiewicz (2011) as exact implications of corresponding laws of 3D rational thermomechanics. In case of a shell with the regular base surface and all resultant surface fields differentiable everywhere on it and at any time instant, the local laws of the resultant...
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Automated Parameter Determination for Horizontal Curves for the Purposes of Road Safety Models with the Use of the Global Positioning System
PublikacjaThis paper presents the results of research conducted to develop an automated system capable of determining parameters for horizontal curves. The system presented in this article could calculate the actual course of a road by means of a two-stage positioning of recorded points along the road. In the first stage, measurements were taken with a Real-Time Network (RTN) receiver installed in a research vehicle. In the second stage,...
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Solar Photovoltaic Energy Optimization and Challenges
PublikacjaThe study paper focuses on solar energy optimization approaches, as well as the obstacles and concerns that come with them. This study discusses the most current advancements in solar power generation devices in order to provide a reference for decision-makers in the field of solar plant construction throughout the world. These technologies are divided into three groups: photovoltaic, thermal, and hybrid (thermal/photovoltaic)....
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Multiaspect measurement analysis of breaking energy recovery
PublikacjaNowadays the issue of electric energy saving in public transport is becoming a key area of interest, which is connected both with a growth of environmental awareness in the society and an increase in the prices of fuel and electricity. That is why the reduction of energy consumption by increasing electrified urban transport, such as trams, trolleybuses, light rail and underground is becoming an increasingly important issue. Energy...
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The investment risk forecasting in a local energy market
PublikacjaThe paper considers the general problems faced when evaluating the risk of investing in a local energy market by computer tools. The proposal formulated for the emerging local energy markets suggests broadening the method of evaluating investment risk so as to include elements of cluster analysis. The paper also discusses the significance of estimating investment risk in market terms and the importance and range of the local energy...
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Comprehensive thermodynamic analysis of the CAES system coupled with the underground thermal energy storage taking into account global, central and local level of energy conversion
PublikacjaA key aspect of CAES is the optimal configuration of the thermodynamic cycle. In this paper, the situation of cooperation between the current conventional power plants and wind farms is analyzed, and then, based on thermodynamic models, the process of storing thermal and electrical energy in the CAES system coupled with a heat storage and recovery is developed. Therefore, three levels can be distinguished, namely: the global level...
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Achieving energy neutrality in wastewater treatment plants through energy savings and enhancing renewable energy production
PublikacjaWastewater treatment plants (WWTPs) consume high amounts of energy which is mostly purchased from the grid. During the past years, many ongoing measures have taken place to analyze the possible solutions for both reducing the energy consumption and increasing the renewable energy production in the plants. This review contains all possible aspects which may assist to move towards energy neutrality in WWTPs. The sources of energy...
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Sustainable energy consumption – Empirical evidence of a household in Poland
PublikacjaThere is an expected increase in the demand for electricity from households in European countries. The outcome of the growing proportion of renewable energy sources in the energy supply mix should result in improved customer awareness regarding their electricity usage. Additionally, they must assume a more proactive role in overseeing their electricity usage. Innovation and pollution management have become crucial catalysts for...
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Current status and future success of renewable energy in Pakistan
PublikacjaMismatch between energy demand and supply from last two decades has been increasing because of the domination of expensive imported oil in energy mix of Pakistan. To import crude oil Government paid US $ 9 billion in 2008–2009 to meet the energy demands...
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Potential of Explainable Artificial Intelligence in Advancing Renewable Energy: Challenges and Prospects
PublikacjaModern machine learning (ML) techniques are making inroads in every aspect of renewable energy for optimizationand model prediction. The effective utilization of ML techniques for the development and scaling up of renewable energy systemsneeds a high degree of accountability. However, most of the ML approaches currently in use are termed black box since their work isdifficult to comprehend. Explainable artificial intelligence (XAI)...
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Development of fragility curves in adjacent steel moment-resisting frames considering pounding effects through improved wavelet-based refined damage-sensitive feature
PublikacjaFragility curves present useful information related to earthquake-induced probability assessment of steel moment-resisting frames (MRFs) and determine the probability of the damage exceedance at different floor levels of MRFs. The review of the literature shows that most of the previous studies dealing with the fragility curves were based on conventional measures, such as spectral acceleration at the first mode period, peak...
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Design and Evaluation of the Compact and Autonomous Energy Subsystem of a Wave Energy Converter
PublikacjaThis paper presents the results of the design process focused on the development of the energy subsystem (ES) of a wave energy converter (WEC). The ES is an important electrical part that significantly affects the energy reliability and energy efficiency of the entire WEC device. The designed ES was intended for compact WECs powering IoT network devices working in the distributed grid. The developed ES is an electronic circuit...
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DFT study of low-energy electron interaction with pyridine, pyrazine and their halo derivatives
PublikacjaIn this work, the density functional theory with B3LYP hybrid functional was employed to calculate quantities useful for estimating the behavior of pyridine, pyrazine and their derivatives monosubstituted with Cl or Br atom, when exposed to low-energy electron impact. Vertical electron affinities obtained in several Pople basis sets and in aug-cc-pVTZ basis set are reported. Although some of the investigated molecules do not form...
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The Study of Geometry of the Selected Transition Curves in the Design of Circular Roads
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Hysteresis curves for some periodic and aperiodic perturbations in magnetosonic flow
PublikacjaA thermodynamic relation between perturbations of pressure and mass density in the magnetohydrodynamic flow is theoretically studied. Planar magnetohydrodynamic perturbations with the wave vector, which forms a constant angle with the equilibrium magnetic field, are under study. The theory considers thermal conduction of a plasma and the deviation from adiabaticity of a flow due to some kind of heating–cooling function. It also...
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Generalized regression neural network and fitness dependent optimization: Application to energy harvesting of centralized TEG systems
PublikacjaThe thermoelectric generator (TEG) system has attracted extensive attention because of its applications in centralized solar heat utilization and recoverable heat energy. The operating efficiency of the TEG system is highly affected by operating conditions. In a series-parallel structure, due to diverse temperature differences, the TEG modules show non-linear performance. Due to the non-uniform temperature distribution (NUTD) condition,...
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The energy concept of money
PublikacjaPurpose: This paper aims to provide the literature review seeking an answer whether energy can be used as a universal equivalent instead of money. Methodology: The author conducted a review of available literature and data sources related to the money theory and energy concept of money. Findings: It was found that the definition of energy as a general equivalent has a contextual and dynamic nature, and this field’s consolidation...
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Renewable Energy Sources on the Polish Electrical Energy Market
PublikacjaProduction of electricity from renewable energu sources in Poland is presented in the paper.The machanism of energy origin certifikates market and the proposal of mechanism modification are discused.