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Search results for: ab initio calculations
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Magnetic field microsensor based on GaAs MESFET
PublicationA novel concept of the drain separation design in a horizontally-split-drain GaAs MAGFET sensor, based on epitaxial layer growth, was developed. Proper choice of GaAs/AlAs/GaAs epitaxial layer sequence provided good electrical isolation between the drain regions. The measured leakage current between the drain regions was in the range of nA for up to 2V drain voltage bias difference. Performed analytical and numerical calculations...
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Optimization of the System for Determining the Volume of Tissue Needed for Breast Reconstruction
PublicationThis article presents techniques for reconstructing surfaces and volume calculations using a point cloud generated from 3D imaging. The main objective of this article was to optimize the voxel size for the most accurate representation of the surface of the female breast. We experimented with different methods for determining volume using images from the Intel D435i camera. In addition, we designed application and measurement station...
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Analysis and interpretation of radiometric signals in a liquid-gas bubble flow
PublicationThe article presents the analysis of signals from a radiometric system consisting of two scintillation probes and two gamma radiation sealed sources. Calculations and interpretation were carried out for the bubble flow of the water-air mixture in the horizontal pipeline. The analysis of the obtained signals was done in time and frequency domain. In the frequency domain, a range of usable frequencies was identified, which were associated...
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Quasirelativistic potential energy curves and transition dipole moments of NaRb
PublicationWe 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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DYNAMIC RESPONSE OF FORUM GDANSK STRUCTURE DUE TO RAIL TRAFFIC
PublicationThe paper presents the study of the impact of vibration induced by the movement of the railway rolling stock on the Forum Gdańsk structure. This object is currently under construction and is located over the railway tracks in the vicinity of the Gdańsk Główny and Gdańsk Śródmieście railway stations. The analysis covers the influence of vibrations on the structure itself and on the people within. The in situ measurements on existing...
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Numerical Studies on Propellers in Open Water and behind Hulls aiming to support the Evaluation of Propulsion Tests
PublicationA RANS based numerical analysis of propellers can contribute considerably to our understanding of propeller/hull interaction. It may also allow for a review of scaling procedures on results from experimental fluid dynamics (EFD). Using various RANS codes (Fluent, CFX, STAR-CCM+ and FreSCo+) on common test cases the authors first focused on propeller open water (POW) calculations. Next we simulated the propeller hull interaction...
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New polish catalogue of typical flexible and semi-rigid pavements
PublicationThe paper covers the following topics important for the development of the new Polish Catalogue of typical flexible and semi-rigid pavements: reasons for preparing the new issue of the Catalogue of typical flexible and semi-rigid pavements, items introduced in the new issue, organise the terminology related to pavements, design traffic calculations and new equivalent axle load factors,...
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Numerical studies on the influence of selected construction features and road conditions on the performance of road cable barriers
PublicationCable barriers are commonly used on Polish roads, including motorways and local roads. Their main elements are pre-stressed wire ropes, which are usually anchored at two ends in concrete blocks buried in the soil. In this work numerical studies concerning the influence of selected construction features and parameters of the vehicle motion on the performance of cable barriers were performed. Numerical simulations are a useful tool...
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FEM ANALYSIS AND EXPERIMENTAL TESTS OF RIGID RISER HANGING SYSTEM
PublicationThe article presents the analysis, project, and experimental examination of an original rigid riser for Coil Tubing Pipes. The principle of riser operation is based on the use of friction forces. The research included the FEM analysis of the designed riser, calculations of the required bolt tensions, and checking the effect of the clamping force on stress distribution in the pipeline. The results of computer simulation were verified...
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PROBLEMS OF EXPERIMENTAL DETERMINATION OF COEFFICIENTS OF THE WEAR OF SHIP PIPING SYSTEMS
PublicationThe article presents series of considerations relating to experimental evaluation of the reliability of ship piping systems. The aim of this study is to attempt to answer the following questions: What should be the tested element? How to choose the diameter of the tested item? What should be the result of measurements and calculations? How to measure? How to choose the duration of the test? How to choose the sample size and elaborate...
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The analysis of turbine propulsion systems in nuclear submarines
PublicationThe article systematises submarines, which are presently in service, according to their propulsion types (both conventional and nuclear), power output, and submersion depth. Contemporary types of propulsion systems installed and used in submarines are discussed. Calculations were performed for the PWR (Pressurized Water Reactor) type nuclear propulsion system and the supercritical turbine propulsion system (supercritical reactor...
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The reactivity of 1,1-dichloro-2,2-di-tert-butyldiphosphane towards lithiated metal carbonyls: a new entry to phosphanylphosphinidene dimers
PublicationReactions of [Cp*(OC)3M]Li (Cp* = C5Me5, M = Mo, W) towards t-Bu2P–PCl2 lead to the formation of phosphanylphosphinidene dimers [Cp*(OC)3M(η2-t-Bu2P–P)]2 in fairly good yields. The formation of a tetraphosphorus ligand proceeds via reductive dimerization of t-Bu2P–P units. NMR, X-ray investigations and DFT calculations show that the resulting tetraphosphorus ligand has a structure of dication t-Bu2P+=P–P=P+t-Bu2.
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Prediction of flow boiling heat transfer coefficient for carbon dioxide in minichannels and conventional channels
PublicationIn the paper are presented the results of calculations using authors own model to predict heat transfer coefficient during flow boiling for carbon dioxide. The experimental data from various researches were scrutinised conducted for a full range of quality variation and wide range of mass velocity. The aim of the study was to test the sensitivity of the in-house model. The work shows the importance of taking into account surface...
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Influence of heterogeneous air entry pressure on large scale unsaturated flow in porous media
PublicationThe paper presents numerical simulations of water infiltration in unsaturated porous media containing coarse-textured inclusions embed- ded in fine-textured background material. The calculations are performed using the two-phase model for water and air flow and a simplified model known as the Richards equation. It is shown that the Richards equation cannot correctly describe flow in the presence of heterogeneities. How- ever, its...
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Elastic wave propagation for condition assessment of steel bar embedded in mortar
PublicationThis study deals with experimental and numerical investigations of elastic wave propagation in steel bars partially embedded in mortar. The bars with different bonding lengths were tested. Two types of damage were considered: damage of the steel bar and damage of the mortar. Longitudinal waves were excited by a piezoelectric actuator and a vibrometer was used to non-contact measurements of velocity signals. Numerical calculations...
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Sampling Strategies: Statistics of Sampling
PublicationEach step of the analytical procedure has a significant influence on the final result of the analysis. In the majority of cases the analytical procedure encompasses sampling because the analysis of the entire object (material) is usually not possible. Thus it is necessary to include the uncertainty related to sampling procedure in the uncertainty budget calculations. In the paper: the most important properties of the analysed...
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INVESTIGATION INTO INTERFEROMETRIC SONAR SYSTEM ACCURACY
PublicationThe results of the accuracy measurements of phase differencing bathymetric sonar (PDBS) system in shallow waters are presented in the article. The measurement results were compared with the theoretical calculations for sonar system accuracy and international standards for hydrographic surveys. The proposed formulas enable to assess a priori sonar system performance using system quality factor (SQF), which takes into account influence...
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A SEARCH OF AN INDUCER GEOMETRY THAT IS BENEFICIAL FOR LIFTING PARAMETERS OF A LIFTED OBJECT OF A SELECTED SHAPE
PublicationThe literature describes acoustic levitation phenomena with the utilization of air squeeze film between the vibrating inducer and the lifted object. The objective of the study is to determine the shape of the inducer with vibration characteristics that would allow the levitation of an object of the assumed geometry. In this paper, the influence of the dimension ratio of the inducer on the frequency of the first mode of vibration...
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ANALIZA NUMERYCZNA WPŁYWU POZIOMU MORZA NA PRZEBIEG WEZBRAŃ W NADMORSKICH CIEKACH POWIERZCHNIOWYCH NA PRZYKŁADZIE POTOKU STRZYŻA W GDAŃSKU
PublicationW dzisiejszych czasach coraz większym problemem stają się podtopienia na terenach zurbanizowanych. Biorąc to pod uwagę, należy większą wagę przyłożyć do prawidłowego obliczania przepustowości koryta. Jednym z czynników wpływających na nie są warunki na odpływie. W przypadku potoków nadmorskich zależą one ściśle od poziomu morza. W pracy podjęto próbę wyznaczenia wpływu poziomu morza na przebieg wezbrań w nadmorskich ciekach powierzchniowych....
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Studies on the formation of formaldehyde during 2-ethylhexyl 4-(dimethylamino)benzoate demethylation in the presence of reactive oxygen and chlorine species
PublicationIn order to protect the skin from UV radiation, personal care products (PCPS) often contain chemical UV-filters. These compounds can enter the environment causing serious consequences on the water ecosystems. The aim of this study was to examine, the effect of different factors, such as UV light, the presence of NaOCl and H2O2 on the formaldehyde formation during popular UV filter, 2-ethylhexyl 4-(dimethylamino)benzoate (ODPABA)...
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Assessment of Thermal Stresses in Asphalt Mixtures at Low Temperatures Using the Tensile Creep Test and the Bending Beam Creep Test
PublicationThermal stresses are leading factors that influence low-temperature cracking behavior of asphalt pavements. During winter, when the temperature drops to significantly low values, tensile thermal stresses develop as a result of pavement contraction. Creep test methods can be suitable for the assessment of low-temperature properties of asphalt mixtures. To evaluate the influence of creep test methods on the obtained low-temperature...
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Superconducting SrSnP with Strong Sn–P Antibonding Interaction: Is the Sn Atom Single or Mixed Valent?
PublicationThe large single crystals of SrSnP were prepared using Sn self-flux method. The superconductivity in the tetragonal SrSnP is observed with the critical temperature of ∼2.3 K. The results of a crystallographic analysis, superconducting characterization, and theoretical assessment of tetragonal SrSnP are presented. The SrSnP crystallizes in the CaGaN structure type with space group P4/nmm (S.G. 129, Pearson symbol tP6) according...
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Electrostatic interactions in finite systems treated with periodic boundary conditions: Application to linear-scaling density functional theory
PublicationWe present a comparison of methods for treating the electrostatic interactions of finite, isolated systems within periodic boundary conditions (PBCs), within density functional theory (DFT), with particular emphasis on linear-scaling (LS) DFT. Often, PBCs are not physically realistic but are an unavoidable consequence of the choice of basis set and the efficacy of using Fourier transforms to compute the Hartree potential. In such...
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Mechanical Strength of MV Ship-switchgear During Fault Arc
PublicationIn the paper the analysis of pressure stressed in enclosure during fault arc inside switchgear is pre-sented as well. There is introduced the method based on determining stresses which are sum of tensile stresses (membrane) and deflection stresses. For tensile stresses nalysis the energy method, for unrestrainedly supported rectangular plate, was used. In the further part of the paper, the calculations and measurements results...
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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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Soft-mode enhanced type-I superconductivity in LiPd2Ge
PublicationThe synthesis, crystal structure, and physical properties (magnetization, resistivity, heat capacity) in combination with theoretical calculations of the electronic structure and phonon properties are reported for intermetallic compounds LiPd2X (X = Si, Ge, and Sn). LeBail refinement of powder x-ray diffraction data confirms that all compounds belong to the Heusler family (space group Fm-3m, No. 225). The lattice parameter increases...
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Metoda f-chart w zastosowaniu do projektu instalacji solarnej w budownictwie jednorodzinnym
PublicationW artykule przedstawiono algorytm obliczeń cieplnych związanych z konwersją promieniowania cieplnego oraz analizę efektów pracy instalacji solarnej przy użyciu metody korelacyjnej f-chart. Zaprezentowany algorytm obliczeń cieplnych oraz omówiona w artykule podstawowa odmiana metody f-chart zostały poparte przykładem obliczeniowym dla instalacji solarnej, która wykorzystywana jest do wspomagania układu przygotowania c.w. dla potrzeb...
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Analiza przepływu gazu w kanałowych reduktorach ciśnienia podczas zwarć łukowych w rozdzielnicach SN
PublicationW artykule przedstawiono metodę obliczania ciśnienia i temperatury gazów podczas zwarcia łukowego wewnątrz przedziału wyłącznika rozdzielnicy średniego napięcia z wykorzystaniem modelu termodynamicznego procesów towarzyszących zwarciom łukowym wewnątrz rozdzielnic z izolacją powietrzną. Następnie, w oparciu o mechanikę płynów lepkich, przedstawiono metodę obliczania rozkładu prędkości i ciśnienia gazu w kanałowych reduktorach ciśnienia...
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O projektowaniu ściany szczelinowej
PublicationW pracy przedstawiono proces weryfikacji i porównania obliczeń otrzymanych z programu bazującego na metodzie elementów skończonych z wynikami analitycznymi dla analizowanej ściany szczelinowej z przyporą ziemną. Dodatkowo autorzy dokonali krótkiego przeglądu literatury z zakresu ścian szczelinowych.
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High order of nongeminate recombination in organic bulk heterojunction solar cells
PublicationWe analyze high order of nongeminate recombination in organic donor–acceptor bulk heterojunction solar cells. The model of recombination where an exciton annihilates on an electron–hole Langevin bound pair near donor–acceptor interface has been applied in our studies. We obtained satisfactory agreement between experimental results and theoretical calculations for the concentration dependences of several parameters characterizing...
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Jahn-Teller and related conical intersections in the benzene radical cation and the monofluoro derivate
PublicationThe multi-state multi-mode vibronic interactions in the benzene radical cation and its monofluoro derivative have been investigated theoretically, based on high-level electronic structure calculations for the system parameters and a quantum treatment of the nuclear motion. The available experimental data are well reproduced. The interplay of different vibronic coupling mechanisms is pointed out leading to multiple nonadiabatic...
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Extending transition curve in analytical design method
PublicationThe paper presents the problem of extending the transitional curves, using for this purpose an analytical design method. The basis for the analysis of numerical calculations were carried out for a wide set of parameters characterizing the standard geometric system. We considered an importance of the size of radius of the circular arc and return angle of route on the obtained results after the formulation of appropriate theoretical...
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Analysis of operations of combined STIG installation
PublicationSteam injection in gas turbines is interesting technology with good energetic and ecological properties of gas turbines. In these applications the heat of exhaust gases is used to produce steam, which is injected in the combustion chamber of a gas turbine. The steam injection increase the power and efficiency of the installation. there are some possibilities to increases the properties of STIG turbines, for example by meas of additional...
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Theoretical analysis of the cable-stayed bridge over brda river in Bydgoszcz
PublicationThe topic of this article is the numerical analysis carried out for the cable-stayed tram (road) bridge over Brda river in Bydgoszcz. The goal of numerical studies was the verification of project assumptions and construction solutions elaborated by the autonomous team. The bridge calculations were conducted on three independent FEM models The internal forces and the elements effort under different loading schemes were examined....
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Design analysis of Tesla micro-turbine operating on a low-boiling medium
PublicationThis paper presents results of the design analysis of a Tesla bladeless turbine intended for a co-generating micro-power plantof heat capacity 20 kW, which operates in an organic Rankine cycle on a low-boiling medium. Numerical calculations of flowin several Tesla turbine models were performed for a range of design parameters. Results of investigations exhibit interestingfeatures in the distribution of flow parameters within the...
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Numerical estimation of the pile toe and shaft unit resistances during the installation process in sands
PublicationNumerical simulations of a pile jacking were carried out. A Coupled Eulerian–Lagrangian (CEL) formulation was used to treat with large deformation problems. An Abaqus, a commercial Finite Element Method software suit, was used as a computing environment. The Mohr–Coulomb constitutive model was applied and the Coulomb model of friction was used to describe pile-soil interaction. Calculations were made for three different pile diameters....
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Analysis of possible application of high-temperature nuclear reactors to contemporary large-output steam power plants on ships
PublicationThis paper is aimed at analysis of possible application of helium to cooling high-temperature nuclear reactor to be used for generating steam in contemporary ship steam-turbine power plants of a large output with taking into account in particular variable operational parameters. In the first part of the paper types of contemporary ship power plants are presented. Features of today applied PWR reactors and proposed HTR reactors...
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Application of the Bodner-Partom constitutive equations for modelling of the technical fabric Valmex used for the hanging roof of the Forest Opera in Sopot
PublicationThe study of an inelastic properties of the technical fabric Valmex used for 20 years as the roof structure of the Forest Opera in Sopot (Poland) is presented. The uniaxial tensile laboratory tests with constant strain rate have been conducted and analysed. Parameters of the Bodner-Partom constitutive model have been identified and verified by numerical simulations. Two approaches of the parameters identification have been proposed:...
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Superconductivity in the Endohedral Ga Cluster Compound PdGa5
PublicationSuperconductivity is observed below Tc = 1.6 K in an endohedral Ga cluster compound PdGa5 using magnetization and heat capacity measurements. Electronic structure calculations show that the density of states (DOS) at the Fermi level is dominated by Ga s and p states and that the overall shape of DOS is similar to what was found in other endohedral Ga cluster superconductors, such as MoxGa5x+1, ReGa5, and T2Ga9 (T = Rh and Ir)....
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Syntheses and structures of the first terminal phosphanylphosphido complexes of molybdenum(IV)
PublicationThe reactions of R2P-P(SiMe3)Li (R = tBu, iPr2N) with [Cp2MoCl2] yield terminal phosphanylphosphido complexes formally via the insertion of the phosphinidene P-atom into the C - H bond of a cyclopentadienyl ring and the migration of the hydrogen atom or SiMe3 moiety to the molybdenum centre. Solid state structures of [Cp(C5H4P-PtBu2)MoH], [Cp(C5H4P-PtBu2)Mo(SiMe3)] and [Cp{C5H4P-P(NiPr2)2}Mo(SiMe3)] were established by single crystal...
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Antiferromagnetic Order in the Rare-Earth Halide Perovskites CsEuBr3 and CsEuCl3
PublicationBulk CsEuBr3 and CsEuCl3 are experimentally shown to be magnetic semiconductors that order antiferromagnetically at Néel temperatures of 2.0 K and 1.0 K, respectively. Given that nanoparticles and thin films of CsEuCl3 have been reported to order ferromagnetically at a similar temperature, our observation of antiferromagnetic ordering in CsEuBr3 and CsEuCl3 expands the possible applications of halide perovskites to now include...
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Measurement of expenditure efficiency of Polish cities with county rights in the context of quality of life
PublicationThe article is devoted to the measurement of efficiency of overall expenditures. The purpose of the study is to evaluate the efficiency of use of budget resources by local government units in the context of fostering quality of life. The subject of the study is 65 Polish cities with county rights (county status). Calculations were carried out using Data Envelopment Analysis (DEA). The results of analysis confirm the two research...
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Small Vessel with Inboard Engine Retrofitting Concepts; Real Boat Tests, Laboratory Hybrid Drive Tests and Theoretical Studies
PublicationThe development of modern technologies and their increasing availability, as well as the falling costs of highly ecient propulsion systems and power sources, have resulted in electric or hybrid propulsions systems’ growing popularity for use on watercraft. Presented in the paper are design and lab tests of a prototype parallel hybrid propulsion system. It describes a concept of retrofitting a conventionally powered nine meter-long...
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Dissociation pathways of protonated water clusters
PublicationRelative abundances of positively ionized water clusters formed in a low-pressure electrical discharge as function of reduced electric field were obtained by using drift cell and quadrupole mass spectrometer. It was noticed that some clusters say with n=4 were more abundant than others, at comparable drift conditions. Dissociation energies have been derived from equilibrium conditions for relative clusters abundances. The Hartree-Fock...
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Formation of OH Radicals as Evidence of Intramolecular Hydrogen Migration in Cation-Induced Dissociation of Furan Molecules
PublicationWe present the experimental results on a hydrogen atom migration preceding fragmentation of the furan molecules induced by the H3+ and C+ impact. The excited OH(A2Σ+) radical has been detected among the furan decomposition products using collision-induced emission spectroscopy. However, the OH moiety is absent in the furan ring skeleton, so detecting the OH(A2Σ+→X2Π) luminescence indicates the intramolecular H atom relocation prior...
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Numerical investigations on early indicators of fracture in concrete at meso-scale.
PublicationFracture is a major reason of the global failure of concretes. The understanding of fracture is important to ensure the safety of structures and to optimize the material behaviour. In particular an early prediction possibility of fracture in concretes is of major importance. In this paper, concrete fracture under bending was numerically analysed using the Discrete Element Method (DEM). The real mesoscopic structure of a concrete...
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Analiza porównawcza metod obliczania przebicia
PublicationW artykule przedstawiono analizę porównawczą wybranych normowych metod wyznaczania nośności na przebicie konstrukcji płytowo-słupowej. Przeanalizowano trzy normowe sposoby wyznaczania nośności na przebicie.Wykonane obliczenia pozwoliły na wskazanie różnic w wyznaczonych wartościach nośności płyty na przebicie w konstrukcji płytowo-słupowej.
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Synteza nowych aminokwasowych i peptydowych analogów kwasu mykofenolowego oraz ich aktywność biologiczna i mikrobiologiczna
PublicationKwas mykofenolowy (MPA) oraz jego dwie stosowane klinicznie pochodne: mykofenolan sodu (MPS, CellCept) i mykofenolan mofetylu (MMF, Myfortic) są jednymi z najczęściej używanych leków hamujących proliferację limfocytów. Obok aktywności immunosupresyjnej, farmaceutyk wykazuje również właściwości przeciwbakteryjne, przeciwgrzybicze, przeciwwirusowe a także przeciwnowotworowe. W ramach realizacji swojej pracy doktorskiej zaprojektowałam...
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Localization and identyfication of ferromagnetic objects
PublicationA compact ferromagnetic object placed in the earthly magnetic field causes disturbance of this field. This disturbance is associated with magnetization of the object. Ferromagnetic objects have induced and can also have permanent magnetization. In methods of locating and identifying ferromagnetic objects usually is using the model of the dipol moment. Determination of the position and values of the extremes of the magnetic field...
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FPGA realization of an improved alpha max plus beta min algorithm
PublicationThe generalized improved version of the alpha max plus beta min square-rooting algorithm and its realization in the Field Programmable Gate Array (FPGA) are presented. The algorithm computes the square root to calculate the approximate magnitude of a complex sample. It is especially useful for pipelined calculations in the DSP. In case of four approximation regions it is possible to reduce the peak error form 3.95% to 0.33%. This...