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Search results for: free energy calculations
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Low energy elastic electron scattering from benzonitrile (C6H5CN)
PublicationWe present experimental differential elastic scattering cross sections (DCSs) for low energy electron scattering from benzonitrile along with integral and momentum-transfer cross sections that are determined from these DCSs. The measurements of DCSs are obtained using the relative flow method with helium as the standard gas, in a crossed electron-molecular gas beam arrangement. Our measurements are made at incident electron energies...
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Use of numerical methods in the analysis of traction energy systems—an overview of the practical examples
PublicationA characteristic feature of trolleybus transport is the random nature of traffic caused by congestion. It predestinates statistical and numerical methods for the analysis of trolleybus energy system. There are presented 3 methods of trolleybus traction system analysis: simulation of supply system based on Monte Carlo method, analysis of energy recovery potential based on statistical data analysis and benchmark of trolleybus supply...
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AMCA to TAMRA long range resonance energy transfer on a flexible peptide
PublicationFörster resonance energy transfer between 7-amino-4-methyl-3-coumarinylacetic acid, (AMCA, donor) and 5- carboxytetramethylrhodamine, (TAMRA, acceptor) bound to Lys(AMCA)-Gly-Pro-Arg-Ser-Leu-Ser-Gly-Lys (TAMRA)-NH2 peptide is demonstrated by various spectroscopic techniques in glycerol at room temperature. In particular, nonexponential character of fluorescence intensity decay evidences the distance distribution between the donor...
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Extended investigation of performance-energy trade-offs under power capping in HPC environments
Publication—In the paper we present investigation of performance-energy trade-offs under power capping using modern processors. The results are presented for systems targeted at both server and client markets and were collected from Intel Xeon E5 and Intel Xeon Phi server processors as well as from desktop and mobile Intel Core i7 processors. The results, when using power capping, show that we can find various interesting combinations of...
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Key activities to improve energy management in DC microgrids connected by urban traction
PublicationDC MicroGrids must have Energy Management Systems to guarantee efficient, dependable, and environmentally friendly electricity. The application of Model Predictive Control, proved to be helpful due to its adaptability and capacity to use non-linear models. This paper, based on an extensive literature review, identifies and discusses the three key activities to improve the characteristics of DC MicroGrids, i.e.: the use of Energy...
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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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Advanced Potential Energy Surfaces for Molecular Simulation
PublicationAdvanced potential energy surfaces are defined as theoretical models that explicitly include many-body effects that transcend the standard fixed-charge, pairwise-additive paradigm typically used in molecular simulation. However, several factors relating to their software implementation have precluded their widespread use in condensed-phase simulations: the computational cost of the theoretical models, a paucity of approximate models...
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Hydroperoxyl radical and formic acid formation from common DNA stabilizers upon low energy electron attachment
Publication2-Amino-2-(hydroxymethyl)-1,3-propanediol (TRIS) and ethylenediaminetetraacetic acid (EDTA) are key components of biological buffers and are frequently used as DNA stabilizers in irradiation studies. Such surface or liquid phase studies are done with the aim to understand the fundamental mechanisms of DNA radiation damage and to improve cancer radiotherapy. When ionizing radiation is used, abundant secondary electrons are formed...
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Electron collisions with methyl-substituted ethylenes: Cross section measurements and calculations for 2-methyl–2-butene and 2,3-dimethyl–2-butene
PublicationWe report electron-scattering cross sections determined for 2-methyl–2-butene [(H3C)HC==C(CH3)2] and 2,3-dimethyl–2-butene [(H3C)2C=C(CH3)2] molecules. Absolute grand-total cross sections (TCSs) were measured for incident electron energies in the 0.5–300 eV range, using a linear electron-transmission technique. The experimental TCS energy dependences for the both targets appear to be very similar with respect to the shape. In each...
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Phase Change Thermal Energy Storage – The Experience of the Materials Preparation for the Specific Applications.
PublicationThermal energy storage and temperature stabilization is very important in many engineering applications. There are three kinds of thermal energy storage: sensible heat storage, latent heat storage and reversible chemical reaction heat storage. Phase change materials (PCM) absorb, store and release large amounts of energy in the form of latent heat, at constant temperature, called the transition temperature. The amount of heat...
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A Wind Energy Conversion System Based on a Generator with Modulated Magnetic Flux
PublicationIn this work, the concept of an energy conversion system for wind turbines based on the modified permanent magnet synchronous generator (PMSG) is presented. In the generator, a pair of three-phase windings is used, one of which is connected in a “star” and the second in a “delta” configuration. At the outputs of both windings, two six-pulse uncontrolled (diode) rectifiers are included. These rectifiers are mutually coupled by a...
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Determination of equivalent axle load factors with the use of strain energy of distortion
PublicationThe paper proposes a new method for calculation of equivalent axle load factors based on the analysis of strain energy of distortion induced in road pavements by traffic loads. The main advantage of the method is the more accurate calculation of the effects of multiple axles and super single versus dual tyres. The methodconsiders the location of critical points, at which strain energy of distortion reaches extreme values. When...
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Calculations of electron impact ionization cross section for simple biomolecules: formic and acetic acids
PublicationObliczono przekroje czynne na jednokrotną jonizację kwasu mrówkowego oraz kwasu octowego. Obliczenia przeprowadzono używając formalizmu BEB w zakresie energii od progu na jonizację do 400 eV. Wyniki porównano z dostępnymi danymi doświadczalnymi.
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Crystal structure, hydrogen bonds, and lattice dynamics in kanemite from first-principles calculations
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Non-adiabatic Effects in Pressure Drop Calculations in Flow Boiling and Flow Condensation in Minichannels
PublicationConsiderations presented in the paper relate both to the case of flow boiling and flow condensation in conventional channels as well as small diameter ones. Authors devoted all the possible attention that the modeling presented is applicable to the whole range of quality variation in both cases of condensation and boiling. The form of two-phase flow multiplier, which is a major factor in modeling presented here, should be capable...
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Structural studies of methyl brevifolincarboxylate in solid state by means of NMR spectroscopy and DFT calculations
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Numerical calculations of wall pressures and stresses in steel cylindrical silos with concentric and eccentric hoppers
PublicationArtykuł przedstawia numeryczną analize naprężeń w płaszczu silosa. Porównane zostały wyniki dla silosów o przepływie centrycznym i mimośrodowym.
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Research into flows in turbine blade seals. Part III: Numerical calculations versus experiment
PublicationPrzedstawiono wyniki badań doświadczalnych przepływów w uszczelnieniu nadbandażowym stopnia turbinowego, przeprowadzonych na powietrznej turbinie modelowej. Rezultaty te porównano z wynikami badań numerycznych z zastosowaniem programu Fluent.
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Electron-impact ionization cross section calculations for 5-chloropyridine and 5-bromopyridine molecules
PublicationThe total cross sections for the single electron-impact ionization of 5-chloropyridine (5-C5H4ClN) and 5-bromopyridine (5-C5H4BrN) molecules have been calculated using binary-encounter-Bethe method for electron energies ranging from the ionization threshold up to 5 keV.
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Cross sections calculations for electron scattering from dimethylamine, NH(CH3)2, molecule
PublicationThe total cross section for single electron-impact ionization and the integral elastic cross section for electron scattering from dimethylamine have been calculated using the binary-encounter-Bethe model and the independent atom method, respectively.
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Comparison of strain results at a laser weld notch obtained by numerical calculations and experimental measurements
PublicationIn the development of ship structures applying new materials and it’s purposeful placement play an important role. During the last years, especially in a construction of ro-ro type vessels, the usage of novel sandwich structures in cargo decks is profitable. Steel sandwich panel is an innovative solution which at a todays state of development can be used for the construction of any members not taking part in a global bending of...
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Critical review of propeller performance scaling methods based on model experiments and numerical calculations
PublicationThe 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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Evaluation of the energy efficiency of electric vehicle drivetrains under urban operating conditions
PublicationIn electric vehicles, as in hybrids vehicles, a very important factor affecting the energy efficiency of the powertrain is the ability to use the regenerative braking energy. Depending on the settings available in electric vehicles, the driver can choose different modes of operation: switch off the regenerative braking mode altogether, select the intensity of regenerative braking, or leave the control system in automatic mode....
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Isothermal Calorimetry and Compressive Strength Tests of Mortar Specimens for Determination of Apparent Activation Energy
PublicationThe hydration process of cementitious materials involves a thermally activated reaction that depends on the composition of the mixture and the curing temperature. The main parameter affecting the temperature variation of cast-in-place concrete is the apparent activation energy, which can be used for the efficient prediction of the temperature evolution and maturity index of hardening concrete. This paper discusses two methods to...
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A modified method of vibration surveillance by using the optimal control at energy performance index
PublicationA method of vibration surveillance by using the optimal control at energy performance index has been creatively modified. The suggested original modification depends on consideration of direct relationship between the measured acceleration signal and the optimal control command. The paper presents the results of experiments and Hardware- in-the-loop simulations of a new active vibration reduction algorithm based on the energy...
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Energy storage device based on flywheel, power converters and Simulink real-time
PublicationThis electronic document is a “live” template and already defines the components of your paper [title, text, heads, etc.] in its style sheet. Paper presents information on Energy Storage Device based on Flywheel and bi-directional IGBT Power Converters – designed for LINTE^2 laboratory owned by Gdansk University of Technology in Poland. Paper is divided into four sections. First section of the paper provides introductory information...
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Performance/energy aware optimization of parallel applications on GPUs under power capping
PublicationIn the paper we present an approach and results from application of the modern power capping mechanism available for NVIDIA GPUs to the bench- marks such as NAS Parallel Benchmarks BT, SP and LU as well as cublasgemm- benchmark which are widely used for assessment of high performance computing systems’ performance. Specifically, depending on the benchmarks, various power cap configurations are best for desired trade-off of performance...
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Low energy inelastic electron scattering from carbon monoxide: II. Excitation of the b3Σ+, j3Σ+, B1Σ+, C1Σ+ and E1Π Rydberg electronic states
PublicationIn this second part of a two part paper (first part: Zawadzki et al (2020 J. Phys. B: At. Mol. Opt. Phys. 53 165201)) we present differential scattering cross sections for excitation of several Rydberg electronic states of carbon monoxide by electron impact. The first part concerned the low-lying valence states of CO. In the present study cross sections are obtained experimentally using low-energy electron energy-loss spectroscopy...
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Review of hydrogen production technologies for automotive sector – thermodynamic analysis of energy and exergy losses
PublicationFew recent years has shown that hydrogen technology has a good chance to replace petroleum technology in automotive sector. However, hydrogen in pure form practically does not occur on Earth. That is why H2 form is used only as an energy carrier and it must be produced using another source of energy form water or hydrocarbon fuels. In this paper short overview of hydrogen production technology has been presented, with energy and...
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Powering the Future by Iron Sulfide Type Material (FexSy) Based Electrochemical Materials for Water Splitting and Energy Storage Applications: A Review
PublicationWater electrolysis is among the recent alternatives for generating clean fuels (hydrogen). It is an efficient way to produce pure hydrogen at a rapid pace with no unwanted by-products. Effective and cheap water-splitting electrocatalysts with enhanced activity, specificity, and stability are currently widely studied. In this regard, noble metal-free transition metal-based catalysts are of high interest. Iron sulfide (FeS) is one...
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Investigation of matrix-free generation of methyl chloride as a reference material
PublicationW pracy opisano badania nad wykorzystaniem włókien szklanych do otrzymywania bezmatrycowych materiałów odniesienia zawierających chlorek metylu. Chlorek metylu jest uzyskiwany w wyniku termicznego rozkładu związku powierzchniowego. Przedstawiono wyniki badań dla trzech różnych włókien szklanych (o różnej grubości), pokrytych warstwą glinu.
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Calcium in Gluten-Free Life: Health-Related and Nutritional Implications
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Technological and Nutritional Challenges, and Novelty in Gluten-Free Breadmaking: a Review
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Study of free convective heat transfer from horizontal conic.
PublicationPrzedstawiono teoretyczne rozważania i badania eksperymentalne konwekcji swobodnej od izotermicznej powierzchni poziomego stożka w przestrzeni nieograniczonej. Rozwiązanie przeprowadzono dla wprowadzonego krzywoliniowego układu współrzędnych, opartego na krzywej linii prądu wokół powierzchni stożkowej.
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Free torsional vibration sensitivity analysis of thin walled beams.
PublicationW pracy przedstawiono analizę wrażliwości swobodnych drgań skrętnych bisymetrycznej , cienkościennej belki o otwartym przekroju poprzecznym, poddanej działaniu siły osiowej
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Mesh-free approach to Helmholtz equation on radial basis functions
PublicationMetoda radialnych funkcji bazowych (RBF) jest coraz czesciej stosowana przy rozwiazywaniu rownan rozniczkowych czastkowych oraz zagadnien wlasnych. W szczegolnosci znalazla ona zastosowanie w problemach elektrodynamiki obliczeniowej. W publikacji zastosowano RBF do rozwiazania rownania Helmholtza. Wprowadzono nowy algorytm - adaptacyjny do wyznaczania centrow interpolacyjnych. Przedstawiona metode zastosowano do wyznaczenia rozkladow...
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The interaction of antitumor 1-nitroacridines with DNA in cell-free systems
PublicationUzyskano nowe pochodne 1-nitro i 3-nitroakrydyny wykazujące zdolność do specyficznego cięcia DNA w miejscach bezzasadowych. Z użyciem oligonukleotydu z indukowanym miejscem bezzasadowym potwierdzono taką aktywność u obu otrzymanych pochodnych.
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Theoretical and numerical analysis of free vibration of liquid-filled tanks
PublicationW pracy rozpatrywano drgania giętne belki o stałym przekroju prostokątnym wypełnionej cieczą idealną. Częstości drgań własnych i formy drgań belki wyznacza się z nieskończonych układów równań algebraicznych (30) i (54). Rozwiązania przedstawiono na wykresach.
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The geometry of free-standing titania nanotubes as a critical factor controlling their optical and photoelectrochemical performance
PublicationTitanium dioxide nanotubes are regarded as one of the most important functional materials and due to their unique electronic properties, chemical stability and photocorrosion resistance, they find applications in, for example, highly efficient photocatalysis or perovskite solar cells. Nevertheless, modification of TiO2 nanotubes is required to overcome their main drawback, i.e. large energy bandgap (>3.2 eV) limiting their ability...
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Spatial Heterogeneity Impacts of Bilateral Foreign Direct Investment on Green Energy Efficiency in China
PublicationAt present, green energy transformation and climate policy are increasingly connected. The need to improve national competitiveness and implement climate and energy strategies means that an energy-consuming country like China must rapidly enhance its green energy efficiency (GEE) and energy consumption structure. The following paper contributes to the existing literature by analyzing the effects of bilateral FDI on GEE from...
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Impact of R/X ratio of distribution network on selection and control of energy storage units
PublicationThe interest in energy storage is still increasing. Energy storage units are installed in high voltage networks, medium voltage networks and low voltage distribution networks as well. These units are often used to improve power quality. One of the criteria for improving power quality is reducing voltage deviations. Depending on the type of network and specifying its R/X ratio, this criterion can be fulfilled by control of active...
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Free-standing TiO2 nanotubes decorated with spherical nickel nanoparticles as a cost-efficient electrocatalyst for oxygen evolution reaction
PublicationHere, we report significant activity towards the oxygen evolution reaction (OER) of spherical nickel nanoparticles (NPs) electrodeposited onto free-standing TiO2 nanotubes (TNT) via cyclic voltammetry. It has been shown that simple manipulation of processing parameters, including scan rate and number of cycles, allows for formation of the NPs in various diameters and amounts. The polarization data with respect to transmission electron...
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Theoretical consideration of free convective heat transfer from a round isothermal plate slightly inclined from the vertical
PublicationA 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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Dissociation of furan-2-carboxylic acid by low energy electrons
PublicationElectron attachment to molecular target can lead to a variety of negative fragment ions. We experi- mentally probe the main dissociative electron attachment channels in furan-2-carboxylic acid (C3H3O2 − COOH) - a molecular target composed of two important structural units: a furan ring and a carboxylic group. In our studies we utilise nearly mono-energetic electrons at electron energies from 0 eV up to 15 eV. Our detection setup...
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The energy consumption during the birch tree sap concentration process using the reverse osmosis system
PublicationBirch tree sap was concentrated by mens of the reversed osmosis technique. The energy consumption in a small-scale pilot apparatus was estimated. The threshold value for the water removal above which the specific energy consumption significantly increased was identified. Below the threshold value the reversed osmosis had low energy demand and could be an attractive method for the production of birch tree sap-based beverages.
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Planning for sustainable development of energy infrastructure: fast – fast simulation tool
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Wind resource assessment and energy yield prediction for the small wind turbine on the Szubieniczne Hill
PublicationThe goal of this study is to preliminary assess the wind resources on the Szubieniczne Hill in order to predict the annual energy production for planned small wind turbine. The analyzed site is located close to the Gdańsk University of Technology campus, in complex urban environment additionally surrendered by forested hills. The assessment is based on Computational Fluid Dynamics simulations which allow to evaluate the wind energy potential...
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Optimal control of 2-wheeled mobile robot at energy performance index
PublicationThe paper presents the application of the optimal control method at the energy perfor- mance index towards motion control of the 2-wheeled mobile robot. With the use of the proposed method of control the 2-wheeled mobile robot can realise effectively the desired trajectory. The problem of motion control of mobile robots is usually neglected and thus performance of the realisation of the high level control tasks is limited.
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Cross-Bonding of MV Cable Lines for Energy Losses Decrease
PublicationCurrently, almost all medium voltage cable lines (MV) operate with the return wires earthed at both ends of the cable. Such a way of operation causes that during normal states of operation as well as during disturbances, e.g. short-circuits, in the return wires induce currents whose values mainly depend on the currents flowing in the phase wires. These currents in normal operating states are a source of additional energy losses...
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A Set of Low-power Microcontroller-based Modules Used for Testing of Small Energy Measurement Methods
PublicationEstimation of energy consumption of low-power devices is not widely discussed in the scientific literature, but this topic is getting more and more popular. Evaluation process of newly developed methods and instrumentation requires carefull treatment. In order to fulfill this niche, the set of micro-power microcontroller based devices was proposed. The devices represent typical energy consuption profiles and allow experimental verification...