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Search results for: design calculations
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Consideration of dynamic loads in the determination of axle load spectra for pavement design
PublicationAxle load spectra constitute a crucial part of the data for pavement design and pavement distress analysis. Typically, axle load spectra represent static load from vehicles and do not include dynamic loads generated by vehicles in motion. While dynamic loads can significantly contribute to faster pavement distress, this fact is mostly omitted in pavement design methods. The paper presents a methodology for consideration of dynamic...
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Improving the procedure of probabilistic load testing design of typical bridges based on structural response similarities
PublicationThis paper concerns load testing of typical bridge structures performed prior to operation. In-situ tests of a two-span post-tensioned bridge loaded with three vehicles of 38-ton mass each formed the input of this study. On the basis of the results of these measurements, an advanced FEM model of the structure was developed for which the sensitivity analysis was performed for chosen uncertainty sources. Three uncorrelated random...
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Design and distribution of air nozzles in the biomass boiler assembly
PublicationDue to energy crisis as well as increasing pollution of the environment, renewable energy sources usage increases all over the world. These facts encouraged authors to start research over developing a uniform biomass boiler calculation model. This paper presents a design of biomass boiler assembly created for ORC (Organic Rankine Cycle) unit since these systems could achieve strong position in energy industry....
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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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ELECTRON-IMPACT IONIZATION CROSS SECTIONS CALCULATIONS FOR PURINE AND PYRIMIDINE MOLECULES
PublicationCross sections for electron-impact ionization of purine and pyrimidine molecules have been calculated using binary-encounter-Bethe method for electron energies ranging from the ionization threshold up to 5 keV. Ionization cross section for purine molecules is 1.4 times higher than for pyrimidine molecules. Acceptable agreement between experimental and theoretical ionization data for pyrimidine molecule has been found.
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Calculations of Short-Circuit Current Flows in Earth Wires of HV Lines
PublicationThis paper presents a method which enables calculating flows of short-circuit currents in earth wires of high voltage transmission lines, and its implementation in the form of a computer programme. The algorithm enables performing calculations for a double-fed line and starconnected lines (three terminal lines). The developed programme enables verifying dimensioning of earth wires in the context of their short-circuit thermal withstand...
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Cross sections for electron scattering from furan molecules; measurements and calculations
PublicationZmierzono i policzono przekroje czynne (TCS) na rozproszenie elektronów na drobinach furanu (C4H4O). Całkowite przekroje czynne zmierzono metodą transmisyjną w zakresie energii 0.6 - 400 eV. Sprężysty i jonizacyjny przekrój czyny obliczono dla energii zderzenia do 4 keV; powyżej 70 eV suma obu przekrojów pozostaje w dobrej zgodności z mierzonymi wartościami TCS.
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Cross section calculations for electron scattering from platinum chemotherapeutic compounds
PublicationCross section for electron impact ionization of carboplatin, C6H12N2O4Pt, and oxaliplatin, C8H14N2O4Pt, have been calculated within binary-encounter-Bethe model for energies from the ionization threshold up to 5000 eV. Cross section for elastic electron scattering from carboplatin and oxaliplatin molecules have also been derived using independent atom method (IAM) and additivity rule for collision energies ranging from 50 eV to...
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Calculations of labyrinth seals with and without diagnostic extraction in fluid-flow machines
PublicationLabyrinth seals are essential components of steam turbine unit constructions. Two types of labyrinth seals can be named, the first of which is the seal without diagnostic steam extraction, and the second – with extraction. The distribution of flow parameters along the packing is affected remarkably by the average seal clearance. The presence of diagnostic extraction leads to the equation system which is determinable and can be...
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Model research and numerical calculations of the buoy for capturing of the sea-waves energy
Publicationw pracy przedstawiono konstrukcję i zasadę działania modelu 1:5 boi do pozyskiwania energii fal morskich oraz wyniki badań eksperymentalnych prowadzonych w dużym basenie w Centrum techniki Okrętowej w Gdańsku.Ponadto przedstawiono numeryczny model obliczeniowy i wybrane wyniki symulacji zachowania się boi na fali regularnej.
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Coupled cluster and DFT calculations of 14N nuclear quadrupole coupling constants
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Phonons of (100) and (110) iron surfaces from first-principles calculations
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Relativistic calculations of X-ray photoelectron spectra and the accuracy of the IOTC method*
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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublicationAbstract - We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurface of the electronic density according to the formula of Fattebert and Gygi (J. Comput. Chem., 23 (2002) 662). While this model depends on only two parameters, we demonstrate...
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Electron scattering from hexafluoroacetone molecules: cross section measurements and calculations
PublicationZmierzono absolutne całkowite przekroje czynne na zderzenie elektronów z drobinami hexafluoroacetonu (HFA). Pomiary przeprowadzono dla energii zderzenia od 1 do 400 eV. Zależność energetyczna przekroju czynnego wykazała obecność struktur związanych z procesami o charakterze rezonansowym. Wykonano obliczenia sprężystego i jonizacyjnego przekroju czynnego dla drobin HFA i acetonu. Suma obliczonych przekrojów wykazuje dużą zgodność...
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Numerical calculations of behaviour of ship double-bottom structure during grounding
PublicationIdeą projektu CORET jest dodanie do obecnej konstrukcji dna podwójnego statku specjalnych powłok polimerowo-betonowych w celu zwiększenia odporności na rozszczelnienie podczas kolizji, czy wejścia na mieliznę. Aby poprawnie zaprojektować te bariery ochronne konieczne jest przeprowadzenie symulacji numerycznej. Tworzenie modelu numerycznego konstrukcji podczas kolizji jest bardzo złożone i wymaga wykonania symulacji pomocniczych...
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Cross section calculations for electron scattering from DNA and RNA bases.
PublicationPoliczono różniczkowy i scałkowany przekrój czynny na rozproszenie sprężyste elektronów (w przybliżeniu atomów niezależnych) na uracylu, cytozynie, guaninie, adeninie i tyminie w zakresie energii od 50-4000 eV. W przybliżeniu modelu BEB policzono również przekroje czynne na jonizację tych molekuł.
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The ab initio calculations of single nitrogen-vacancy defect center in diamond.
PublicationW artykule zaprezentowano rezultaty kwantowomechanicznych obliczeń ''ab initio'' struktury elektronowej defektu azot-wakans w diamencie. Do obliczeń wykorzystano model złożony z 63 atomów. Otrzymane wyniki zostały porównane z wcześniejszymi pracami teoretycznymi i doświadczalnymi.
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Law regulations against physical calculations - problems in water and sewage management
PublicationW pracy zostały opisane przykłady trzech typów problemów w zakresie gospodarki wodno-ściekowej, z jakimi można spotkać się w związku z wejściem w życie przepisów uwzględniających obowiązujące w tej dziedzinie dyrektywy Unii Europejskiej. Są to m.in. problemy ze zbyt szeroką możliwością interpretacji pewnych zapisów, problemy związane z nieuwzględnianiem w przepisach praw fizyki, a także brak ustawowej regulacji pewnych zagadnień.
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CROSS SECTIONS CALCULATIONS FOR ELECTRON SCATTERING FROM RHODANINE AND CYANOACETIC ACID
PublicationCross sections for electron-impact ionization and for elastic electron scattering for rhodanine (C3H3NOS2) and cyanoacetic acid (C3H3NO2) have been calculated in wide impinging electron energy range.
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Structural properties of hypothetical CeBa2Cu3O7 compound from LSDA+DMFT calculations
PublicationThe hypothetical stoichiometric CeBa2Cu3O7 (Ce123) compound, which has not been synthesized as a single phase yet, was studied by the density functional theory (DFT). We utilized a method which merges the local spin density approximation (LSDA) with the dynamical mean-field theory (DMFT) to account for the electronic correlations. The LSDA+DMFT calculations were performed in the high-temperature range. The particular emphasis was...
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Design analysis of ORC micro-turbines making use of thermal energy of oceans
PublicationThe article presents the results of the analysis of energy conversion cycles making use of thermal energy of oceans. The objects of analysis were two cases of closed Organic Rankine Cycle (ORC) power plants, which were: the cycle in which the vapour of the working medium was produced by warm oceanic water in the circum-equatorial zone, and the so-called “arctic” cycle in which this vapour was produced by non-frozen water in the circumpolar...
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Design and Experiments of a Piezoelectric Motor Using Three Rotating Mode Actuators
PublicationThis paper represents a numerical and experimental investigation of the multicell piezoelectric motor. The proposed design consists of three individual cells that are integrated into the stator, double rotor, and a preload system combined into a symmetrical structure of the motor. Each of the cells is characterized by a traveling wave and rotating mode motor. A finite element numerical analysis is carried out to obtain optimal...
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Application of probabilistic tools to extend load test design of bridges prior to opening
PublicationLoad tests of bridges are widely performed in a large number of countries. Deterministic comparison of measurement results to the theoretical, FEM (finite element method)-based outcomes with possible further calibration is mostly applied. Sometimes, the data collected in the tests are also used to calibrate the reliability factors of bridge structures or their components. This work proposes to complement the stage of the load test...
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Design Equation for Stirring Fluid by a Stream Pump in a Circulating Tank
PublicationA circulating tank is a very useful theoretical scheme for many fluid-flow objects in several branches of engineering. The motion of the fluid in such objects can be induced in different ways. A stream pump provides an especially interesting possibility; however, the quantitative description of such devices shows some shortcomings. Such a device is analogous to a jet pump, thus has similar advantages (simplicity of construction,...
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Cross section calculations for electron impact ionization and elastic scattering from cisplatin
PublicationCałkowity przekrój czynny na jednokrotną jonizację cisplatyny (H6N2Cl2Pt) w zderzeniach z elektronami został obliczony przy wykorzystaniu modelu BEB (binary-encounter-Bethe) dla energii zderzenia od progu na jonizację do 5 keV. W celu uzyskania danych niezbędnych w modelu BEB, geometryczna i elektronowa struktura cisplatyny została przebadana metodami chemii kwantowej. Obliczono również przekrój czynny na sprężyste rozproszenie...
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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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High-pressure and thermal properties of γ-Mg2SiO4 from first-principles calculations
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First-principles calculations for phonons in AgGaX2(X = Se,Te) chalcopyrite crystals
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Lattice dynamics and elasticity of silver thiogallate (AgGaS2) from ab initio calculations
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Hydration of Simple Carboxylic Acids from Infrared Spectra of HDOand Theoretical Calculations
PublicationBadanie hydratacji kwasów karboksylowych w rozcieńczonych roztworach wodnych ma duże znaczenie dla zrozumienia ich funkcji biologicznych. Metodą stosowaną w badaniach była spektroskopia oscylacyjna FTIR z zastosowaniem techniki rozcieńczenia izotopowego wody półciężkiej HDO w roztworze wody zwykłej. Do analizy danych widmowych wykorzystano ''metodę widm różnicowych''. Widma HDO zaburzonej przez kwasy: mrówkowy, octowy i propionowy...
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Model tests and stability calculations of shallow foundations resting on non-cohesive subsoil
PublicationPrzedstawiono metodykę i charakterystyczne wyniki własnych badań modelowych przeprowadzonych z wykorzystaniem techniki PIV. W analizach numerycznych przeanalizowano trzy kryteria wytrzymałości gruntu na ścinanie i ich wpływ na wyniki ilościowe i jakościowe. Obliczenia analityczne oparto na koncepcji ESE. Zestawiono i przeanalizowano zgodność wyników badań modelowych, analiz numerycznych i obliczeń analitycznych.
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Heating caused by a non periodic ultrasound. Theory and calculations on pulse and stationary sources.
PublicationPrzedstawiono teorię ewolucji ogrzewania na skutek przejścia fali akustycznej każdego typu. Przedyskutowano obliczenia na podstawie nowych wzorów dla fali impulsowej i uderzeniowej. Wzory zgadzają się z klasycznymi w wypadku fal okresowych.
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Statistical description and numerical calculations of cylindrical vertical tanks with initial geometric imperfections
PublicationDokonano identyfikacji rzeczywistych wstępnych imperfekcji geometrycznych stalowych pionowych zbiorników walcowych. Imperfekcje przedstawiono jako pole losowe opisane za pomocą odpowiednio dobranej funkcji korelacyjnej, wartości oczekiwanej oraz obwiedni pola. Wykorzystując własne programy numeryczne przeprowadzono generację zbioru odchyłek geometrycznych zbiornika. Porównano estymatory wygenerowanego pola losowego z parametrami...
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Solvation of N-methylformamide by ethanol: a comparison of molecular dynamics calculations with the experimental data
PublicationWykonano obliczenia metodami dynamiki molekularnej dla tytułowego układu. Rezultaty porównano z uzyskanymi wcześniej wynikami pomiarów termodynamicznych oraz wnioskami z nich wyciągniętymi.
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Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces
PublicationDensity functional theory (DFT) is often used for simulating extended materials such as infinite crystals or surfaces, under periodic boundary conditions (PBCs). In such calculations, when the simulation cell has non-zero charge, electrical neutrality has to be imposed, and this is often done via a uniform background charge of opposite sign (“jellium”). This artificial neutralization does not occur in reality, where a different...
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FEM Calculations in Analysis of Steel Subsea Water Injection Flowlines Designing Process
PublicationPaper describes the result of theoretical research aimed at assessing the loads and operating conditions of a Coiled Tubing pipeline injecting water, suspended to the mining platform of Lotos Petrobaltic. For this purpose, appropriate calculation models have been developed using the Finite Element Method (FEM), taking into account the nature of the analyzed object and its loads. The analyzes were carried out for two pipes (previously...
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FE-calculations of stress distribution under prismatic and conical sandpiles within hypoplasticity.
PublicationW artykule przedstawiono wyniki numerycznej rozkładu naprężeń pod pryzmatycznymi i stożkowymi stosami piasku w ramach mikropolarnej hipoplastyczności. Wyniki pokazują, że rozkład naprężeń zależy od sposobu napełnienia stożku piaskiem. W niektórych przypadkach, maksymalne naprężenie nie występuje w środku stosu piasku.
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FE-calculations of stress distribution under prismatic and conical sandpiles within hypoplasticity
PublicationW artykule przedstawiono wyniki numerycznej rozkładu naprężeń pod pryzmatycznymi i stożkowymi stosami piasku w ramach mikropolarnej hipoplastyczności. Wyniki pokazują, że rozkład naprężeń zależy od sposobu napełnienia stożku piaskiem. W niektórych przypadkach, maksymalne naprężenie nie występuje w środku stosu piasku.
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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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Analysis of Validation and Simplification of Timber-Frame Structure Design Stage with PU-Foam Insulation
PublicationThe transition from experimental studies to the realm of numerical simulations is often necessary for further studies, but very difficult at the same time. This is especially the case for extended seismic analysis and earthquake-resistant design. This paper describes an approach to moving from the experimental testing of an elementary part of a wood-frame building structure to a numerical model, with the use of a commercial engineering...
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Analysis of EN 1993-1-6 guidelines about determining amplitudes of equivalent imperfections of steel cylindrical shells subjected to uniform external pressure
PublicationCivil engineering structures should be designed with reference to relevant standards. One of them is a Eurocode 3 standard EN 1993-1-6:2007: Design of steel structures Part 1-6: Strength and Stability of Shell Structures. According to this standard, the value of buckling load can be determined using different approaches: classical hand calculations (stress design) and geometrical and material non-linear analysis of an imperfect...
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The methodology of design of axial clearances compensation unit in hydraulic satellite displacement machine and their experimental verification
PublicationA new methodology of calculating the dimensions of the axial clearance compensation unit in the hydraulic satellite displacement machine is described in this paper. The methods of shaping the compensation unit were also proposed and described. These methods were used to calculate the geometrical dimensions of the compensation field in an innovative prototype of a satellite hydraulic motor. This motor is characterized by the fact...
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Cost-Effective and Sufficiently Precise Integration Method Adapted to the FEM Calculations of Bone Tissue
PublicationThe technique of Young’s modulus variation in the finite element is not spread in biomechanics. Our future goal is to adapt this technique to bone tissue strength calculations. The aim of this paper is to present the necessary studies of the element’s integration method that takes into account changes in material properties. For research purposes, a virtual sample with the size and distribution of mechanical properties similar...
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Structural studies of methyl brevifolincarboxylate in solid state by means of NMR spectroscopy and DFT calculations
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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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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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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.