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On the electronic structure of methyl butyrate and methyl valerate
PublicationWe present novel results of the analysis of the electronic structure of two aliphatic esters: methyl butyrate and methyl valerate. High-resolution photoabsorption spectra were collected and analyzed over the energy range 4.0–10.8 eV and showed for both the molecules not only a clear band of the HOMO to LUMO transition, but also vibronic structure associated with the first Rydberg-valence transition. Photoelectron spectra recorded...
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Carboxylation Enhances Fragmentation of Furan upon Resonant Electron Attachment
PublicationWe report a dissociative electron attachment study to 2-furoic acid (C5H4O3) isolated in a gas phase, which is a model molecule consisting of a carboxylic group and a furan ring. Dissociation of furan by low energy electrons is accessible only via electronic excited Feshbach resonances at energies of incident electrons above 5 eV. On the other hand, carboxylic acids are well- known to dissociate via attachment of electrons at subexcitation energies....
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Determination of the theoretical and actual working volume of a hydraulic motor
PublicationA new methodology of determination of the theoretical and actual working volume of a hydraulic motor based on the characteristics of the delivered flow rate into hydraulic motor vs. the rotational speed at a constant pressure drop in the working chambers is described in this paper. A new method of describing the delivered flow rate into a motor per one shaft revolution as a nonlinear function of the pressure drop in the motor working...
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Reactivity of bulky aminophosphanes towards small molecules: Activation of dihydrogen and carbon dioxide by aminophosphane/borane frustrated Lewis pairs
PublicationA series of mono- and bisaminophosphanes with formulas R2NPR’R’’ and (R2N)2PR’ (R = iPr, Cy; R’ = Ph, Cy; R’’ = iPr) were characterized by X-ray analysis, NMR spectroscopy and computational methods. The common structural futures of these species are short and polarized PAN bonds, a pyramidal geometry at the P atom and an almost planar geometry at the N atoms. According to DFT calculations, these...
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Influence of Gaps’ Geometry Change on Leakage Flow in Axial Piston Pumps
PublicationAxial piston pumps are the core elements of most medium and high-pressure hydraulic systems. High volumetric efficiency and high working pressures are the main advantages of this type of pumps. Therefore it is necessary to accurately calculate the leakage flow through the gaps to design efficient high-pressure pump. The main difficulty of such calculations is the fact, that the gaps change their geometry during pumping process....
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Comparative study of a combined heat and power plant retrofitted by CO2 capture during the combustion of syngas from sewage sludge gasification versus zero-emission combustion of hydrogen produced using renewables
PublicationWith ecological requirements aimed at limiting the production of CO2, it is necessary to produce all, or most of the energy from RES. During the transformation process, ecological and highly efficient combustion power plants will be needed. The classic cycle of combined heat and power (CCGT) with green improvements will continue to be one of the most suitable technologies for this task. This article presents the modernization of...
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A study on microcrack monitoring in concrete: discrete element method simulations of acoustic emission for non-destructive diagnostics
PublicationThe research is focused on the monitoring of fracture evolution in concrete beams under three-point bending using the acoustic emission technique and the discrete element method. The main objective of the study was to numerically and experimentally investigate the mechanism behind the generation of elastic waves during acoustic emission events and their interaction with micro- and macro-cracking in concrete beams under monotonic...
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The assessment of metrological properties of segmental orifice based on simulations and experiments
PublicationSegmental orifices are often used to measure flows of heterogeneous mixtures, especially in flow meters in the power industry, for example. The orifice (with module m= 0.25) was installed in a stainless-steel pipe with internal diameter of 50 mm, placed in a hydraulic water system. The research was performed for Reynolds numbers ranging from 9,000 to 17,000. The flow characteristics of this orifice obtained based on simulation...
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Design Evolution of the Ultrasonic Piezoelectric Motor Using Three Rotating Mode Actuators
PublicationThe development process and experimental investigation of the multicell piezoelectric motor is presented in this paper. The proposed design consists of three individual cells integrated into the stator, double rotor, and a preload system. Those elements are combined into a symmetrical structure of the motor. The two new prototypes have been designed, simulated and tested. Finite element numerical analysis is carried out to obtain...
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HEAVE MOTION OF A VERTICAL CYLINDER WITH HEAVE PLATES
PublicationThe shape of a vertical cylinder resembles the classic form of a spar platform. Spar platforms are floating platforms that are successfully used in waters of great depths and have several advantages that mean they are readily used in the oil industry. Many of these advantages are also relevant to their application for offshore wind turbines, which is currently being considered. In the hydrodynamic analysis of spar platforms, the...
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A Direct Modulation for Matrix Converters based on the Onecycle Atomic operation developed in Verilog HDL.
PublicationThis paper presents a fast direct Pulse Width Modulation (PWM) algorithm for the Conventional Matrix Converters (CMC) developed in Verilog Hardware Description language (HDL). All PWM duty cycle calculations are performed in one cycle by an atomic operation designed as a digital module using FPGA basic blocks. The algorithm can be extended to any number of output phase. The improved version of the discontinuous Direct Analytic...
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Spontaneous electron emission vs dissociation in internally hot silver dimer anions
PublicationReferring to a recent experiment, we theoretically study the process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag. The ground state potential energy curves of the silver molecules of diatomic neutral and negative ion were calculated using proper pseudo-potentials and atomic basis sets. We also estimated the non-adiabatic...
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Strong-coupling superconductivity of SrIr2 and SrRh2 : Phonon engineering of metallic Ir and Rh
PublicationExperimental and theoretical studies on superconductivity in SrIr2 and SrRh2 Laves phases are presented. The measured resistivity, heat capacity, and magnetic susceptibility confirm the superconductivity of these compounds with Tc = 6.07 and 5.41 K, respectively. Electronic structure calculations show that the Fermi surface is mostly contributed by 5d (4d) electrons of Ir (Rh), with Sr atoms playing the role of electron donors....
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Superconductivity–Electron Count Relationship in Heusler Phases─the Case of LiPd2Si
PublicationWe report superconductivity in the full Heusler compound LiPd2Si (space group Fm3̅m, No. 225) at a critical temperature of Tc = 1.3 K and a normalized heat capacity jump at Tc, ΔC/γTc = 1.1. The low-temperature isothermal magnetization curves imply type-I superconductivity, as previously observed in LiPd2Ge. We show, based on density functional theory calculations and using the molecular orbital theory approach, that while LiPd2Si...
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Influence of operating pressure on the durability of a satellite hydraulic motor supplied by rapeseed oil
PublicationThis article describes the results of a durability test of a hydraulic satellite motor supplied by rapeseed oil. The tests were carried out on a test stand in a power recuperation system. The tests of the motor were carried out at a constant shaft speed for three fixed pressure drops in the motor. This made it possible to demonstrate the influence of the motor operating pressure on the durability of the satellite mechanism. The...
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Discrete element method modelling of elastic wave propagation in a meso-scale model of concrete
PublicationThis paper deals with the accurate modelling of ultrasonic wave propagation in concrete at the mesoscopic level. This was achieved through the development of a discrete element method (DEM) model capable of simulating elastic wave signals comparable to those measured experimentally. The main objective of the work was to propose a novel methodology for constructing a meso-scale model of concrete dedicated to the analysis of elastic...
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Numerical analysis by FEM and analytical study of the dynamic thermal behavior of hollow bricks with different cavity concentration
PublicationThis paper presents the investigation results on the influence of the cavity concentration in hollow bricks on static and dynamic thermal parameters: a time lag, a decrement factor, an equivalent thermal diffusivity (ETD) and an equivalent thermal conductivity (ETC). The dynamic thermal behavior of hollow bricks is studied with an optimized cavity shape to reduce the intensity of radiation and convective heat exchange. The thermal...
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Selective detection of F- by chromogenic tetrazole receptor
PublicationA chromogenic anion host 4, containing two amide functionalities linked to azo dye and tetrazole rings was synthesized and its complexes with various anions were investigated. The results show that receptor 4 can recognize selectively biologically important F- ion. The binding affinity for F- was investigated by naked-eye colour change, UV-Vis and 1H NMR spectroscopy. Addition F- ion in CH3CN and DMSO to receptor 4 cause a colour...
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A non-adiabatic wavepacket dynamical study of the low energy chargetransfer process in the S3+ + H collision
PublicationThe collisional system S3+ + H?S2+ + H+ has been studied using a time-dependent wavepacket methodologyin two-dimensions. Using available potential energy surfaces and coupling matrix elementsobtained from multireference ab initio calculations, five non-adiabatically coupled electronic states of1P symmetry have been included in the dynamical simulations. The collision has been studied in thelow energy regime of 1-10 eV. The wavepacket...
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Numerical Analysis of Impact of Energy Buoy Anchoring Configurations on its Motion and Efficiency
PublicationThis paper presents a numerical analysis of the impact of energy buoy mooring configurations on its movement on the wave and effectiveness. The method used to analyse the buoy movement modelling in six degrees of freedom was described in a paper presented at the Conference 2011. Simulations of the buoy movement in regular wave and power calculations were conducted for several configurations of anchoring systems and position of...
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Comparison of the coordination geometries of Zn(II) and Cd(II) ions in complexes with water, methanol and bulky aryloxysilanethiolate ligands
PublicationZinc and cadmium complexes containing silanethiolate anions and methanol or water were synthesized and characterized by X-ray diffraction, FT-IR and NMR spectroscopy, and DFT calculations. Contrary to zinc, the cadmium ion utilizes very weak donors to complete its coordination sphere; it forms contacts to phenyl rings of the silanethiolate ligand. Two zinc analogs of the general formula [Zn{SSi(OAr)3}2(L)2] where L = CH3OH (2)...
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Crystal structure and physical properties of new Ca2TGe3 (T = Pd and Pt) germanides
PublicationThe crystallographic, electronic transport and thermal properties of Ca2PdGe3 and Ca2PtGe3 are reported. The compounds crystalize in an ordered variant of the AlB2 crystal structure, in space group P6/mmm, with the lattice parameters a = 8.4876(4) Å/8.4503(5) Å and c = 4.1911(3) Å/4.2302(3) Å for Ca2PdGe3 and Ca2PtGe3, respectively. The resistivity data exhibit metallic behavior with residual-resistivity-ratios (RRR) of 13 for...
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Valence and lowest Rydberg electronic states of phenol investigated by synchrotron radiation and theoretical methods
PublicationWe present the experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectra of phenol covering for the first time the full 4.3–10.8 eV energy-range, with absolute cross sections determined. Theoretical calculations on the vertical excitation energies and oscillator strengths were performed using time-dependent density functional theory and the equation-of-motion coupled cluster method restricted to single and double...
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Spectral reflectance and transmission modeling of multi-cavity Fabry-Pérot interferometer with ZnO thin films
PublicationIn this paper spectral reflectance and transmission of a low-coherence fiber-optic Fabry-Pérot interferometer with thin ZnO layers is analyzed using a multi-cavity approach. In the investigated setup two standard single-mode optical fibers (SMF-28) with thin ZnO films deposited on their end-faces form an extrinsic Fabry-Pérot interferometer with air cavity. Calculations of the spectral response of the interferometer were performed...
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Modeling energy consumption of parallel applications
PublicationThe paper presents modeling and simulation of energy consumption of two types of parallel applications: geometric Single Program Multiple Data (SPMD) and divide-and-conquer (DAC). Simulation is performed in a new MERPSYS environment. Model of an application uses the Java language with extension representing message exchange between processes working in parallel. Simulation is performed by running threads representing distinct process...
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Analysis of The Behavior of Foundations of Historical Buildings
PublicationThe article is devoted to the analysis of the behavior of the foundations of historic buildings. Some basic aspects of foundation engineering are discussed, with an emphasis placed on its development, applied techniques, and materials. Several different approaches and methods for the analysis of foundations of historical buildings are presented. A particular analysis has been focused on an example of a typical stone foundation...
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Sustainable development requires risky decisions - problematic 300 ton overweight transport passing a bridge
PublicationOversize load passages over bridges are one of the research issues related to sustainable development that engineering and scientific teams around the world have to deal with . The article presents the scope of activities that enabled the passage of an oversized vehicle with a total weight of over 300 tons over a reinforced concrete slab. The bridge load capacity is 30 tons. In order to assess the capacity of the bridge, detailed...
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On effective surface elastic moduli for microstructured strongly anisotropic coatings
PublicationThe determination of surface elastic moduli is discussed in the context of a recently proposed strongly anisotropic surface elasticity model. The aim of the model was to describe deformations of solids with thin elastic coatings associated with so-called hyperbolic metasurfaces. These metasurfaces can exhibit a quite unusual behaviour and concurrently a very promising wave propagation behaviour. In the model of strongly anisotropic...
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Skutki zwarć łukowych w średnionapięciowych rozdzielnicach okrętowych z izolacją powietrzną
PublicationW artykule scharakteryzowano moc i napięcie łuku, jak również przedstawiono model termodynamiczny służący do obliczania ciśnienia i temperatury gazów w otoczeniu łuku zwarciowego. Przedstawiono przykładowy układ elektrowni okrętowej i zasilania najważniejszych odbiorników na statku do przewozu kontenerów, w tym 600 kontenerów chłodzonych. Na podstawie parametrów prądnic i silników, odbiorników zasilanych z rozdzielnicy głównej...
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Numeryczna analiza dynamiczna wieszaków w łukowym wiadukcie kolejowym. Analiza przypadku
PublicationW artykule przedstawiono analizę dynamiczną wiaduktu kolejowego w ciągu Centralnej Magistrali Kolejowej zlokalizowanego koło Huty Zawadzkiej. W analizie zwrócono szczególną uwagę na lokalną odpowiedź wieszaków na obciążenie przejeżdżającym pociągiem oraz wiatrem. Obliczenia przeprowadzono na podstawie wykonanego modelu MES. Zweryfikowano poprawność modelu poprzez porównanie uzyskanych wyników z wartościami pomierzonymi. Przeprowadzono...
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Modelowanie losowych imperfekcji geometrycznych przestrzennych konstrukcji metalowych
PublicationImperfekcje geometryczne zbiorników, silosów i powłok siatkowych mogą znaczą-co wpłynąć na ich nośność, a więc powinny być one uwzględniane w obliczeniach komputerowych i w procesie projektowania. Wykazano, że przy podstawowych obcią-żeniach, działających na tego typu konstrukcje, tj. podciśnieniu oraz naporu wiatru i śniegu (w przypadku powłok siatkowych), wykazują wyraźne różnice w porównaniu z analogicznymi wynikami dla tych...
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Wydłużanie krzywej przejściowej w analitycznej metodzie projektowania
PublicationW pracy przedstawiono problematykę wydłużania krzywych przejściowych, wykorzystując do tego celu analityczną metodę projektowania. Podstawę analizy stanowiły obliczenia numeryczne przeprowadzone dla szerokiego zestawu parametrów charakteryzujących standardowy układu geometryczny. Po sformułowaniu odpowiednich zależności teoretycznych rozpatrzono kwestie znaczenia wielkości promienia łuku kołowego i kąta zwrotu trasy na uzyskane...
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Modyfikacja połączenia dźwigara ze słupem w konstrukcji stalowej Terminalu T2 Portu Lotniczego w Gdańsku
PublicationW2015 r. ukończono rozbudowę Terminalu T2 Portu Lotniczego im. Lecha Wałęsy wGdańsku. Politechnika Gdańska pełniła nadzór naukowy nad rozbudową obiektu. Wykonano wiele analiz, których celem była weryfikacja pracy konstrukcji w fazach montażu oraz w stanie docelowym. Wnioski z przeprowadzonych badań doprowadziły do modyfikacji oparcia dźwigarów dachowych na stalowych słupach nośnych, z uwagi na stwierdzone lokalne przekroczenia...
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Electronic transition dipole moment functions of the first singlet Delta gerade and first triplet Delta ungerade states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Delta gerade (1sDg) and first triplet Delta ungerade (1tDu) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Measurements of the rms currents in two phases in a ship power station with two generators operating in parallel
Open Research DataThe presented dataset is part of research focusing on the assessment of metrological properties of the instrument, Estimator/Analyzer (E/A v.2), developed and made at the Faculty of Electrical Engineering, Department of Marine Electrical Power Engineering of Gdynia Maritime University. The attached dataset contains processed data, expressing the rms...
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Electronic transition dipole moment functions of the second triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second triplet Sigma ungerade plus (2tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the second singlet Sigma ungerade plus and second triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma ungerade plus (2sSu+) and second triplet Sigma gerade plus (2tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Adiabatic potential energy curves of the KRb molecule
Open Research DataAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states have been calculated for the KRb molecule. Presented APECs correlate with 11 atomic asymptotes, starting from ground K(4s)+Rb(5s) atomic limit and ending on double-excited K(4p)+Rb(5p) atomic limit. All results of the presented...
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Electronic transition dipole moment functions of the third singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma gerade plus (3sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first singlet Sigma ungerade plus and first triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma ungerade plus (1sSu+) and first triplet Sigma gerade plus (1tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the third triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third triplet Sigma ungerade plus (3tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fourth triplet Sigma ungerade plus (4tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fourth singlet Sigma gerade plus (4sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first singlet Pi gerade and first triplet Pi gerade states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Pi gerade (1sPg) and first triplet Pi gerade (1tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the second singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma gerade plus (2sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fifth singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fifth singlet Sigma gerade plus (5sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the third singlet Sigma ungerade plus and third triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma ungerade plus (3sSu+) and third triplet Sigma gerade plus (3tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the second singlet Pi gerade and second triplet Pi gerade states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second singlet Pi gerade (2sPg) and second triplet Pi gerade (2tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the fifth triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fifth triplet Sigma ungerade plus (5tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma gerade plus (1sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...