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Wyniki wyszukiwania dla: ab initio calculations
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Electronic transition dipole moment functions of the fifth singlet Sigma gerade plus state of the Lithium dimer
Dane BadawczeElectronic 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
Dane BadawczeElectronic 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
Dane BadawczeElectronic 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
Dane BadawczeElectronic 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
Dane BadawczeElectronic 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...
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Electronic transition dipole moment functions of the first triplet Sigma ungerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the first triplet Sigma ungerade plus (1tSu+) 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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Determination of the ratio resistors in the input circuits of the NTC10k thermistor calibration system
Dane BadawczeThe presented data set is part of the research aimed at determining the actual characteristics of each thermistor in a package of twenty NTC10k type sensors.
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Measurements of the fundamental harmonic frequency of voltages on main bars in a ship power station
Dane BadawczeThe 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 fundamental...
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Measurements of the rms voltages on main bars in a ship power station with two generators operating in parallel
Dane BadawczeThe 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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Polyacrylamide substrate viscosity impact on temozolomide activity in glioblastoma cells by flow cytometry and rheological measurements
Dane BadawczeDataset includes raw data on cell lines LN-229 and LN-18 treated with temozolomide measured by flow cytometry, rheometry and cell projections. It also includes calculations necessary for creation of figures and conclusions based on those figures in the publication titiled: "Substrate viscosity impairs temozolomide-mediated inhibition of glioblastoma...
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Wielokryterialna analiza porównawcza lokalizacji źródeł wytwórczych energii elektrycznej
PublikacjaArtykuł przedstawia ranking lokalizacji czterech źródeł wytwórczych energii elektrycznej: biogazowni rolniczej, biogazowni utylizacyjnej oraz dwóch elektrowni fotowoltaicznych, wykonany przy użyciu połączonych metod Analitycznego Procesu Hierarchicznego (AHP) oraz taksonomii numerycznej. Omówiono zalety połączenia metod, przedstawiono przykład zastosowania oraz wskazano kryteria o największym i najmniejszym wpływie na realizację...
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The Development of a Combined Method to Quickly Assess Ship Speed and Fuel Consumption at Different Powertrain Load and Sea Conditions
PublikacjaDecision support systems (DSS) recently have been increasingly in use during ships operation. They require realistic input data regarding different aspects of navigation. To address the optimal weather routing of a ship, which is one of the most promising field of DSS application, it is necessary to accurately predict an actually attainable speed of a ship and corresponding fuel consumption at given loading conditions and predicted...
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Prediction of Ship Resonant Rolling - Related Dangerous Zones with Regard to the Equivalent Metacentric Height Governing Natural Frequency of Roll
PublikacjaPotentially dangerous zones corresponding to dynamical stability phenomena, possibly encountered by ships sailing in rough sea, are estimated nowadays with the use of the method recommended by IMO in the guidance coded MSC.1/Circ.1228. In this IMO method the parameter governing the natural period of roll is the initial metacentric height. Some earlier studies revealed that the initial metacentric height...
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Influence of Holes Manufacture Technology on Perforated Plate Aerodynamics
PublikacjaTranspiration flow is a very important and still open subject in many technical applications. Perforated walls are useful for the purpose of “flow control”, as well as for the cooling of walls and blades (effusive cooling) in gas turbines. We are still not able to include large numbers of holes in the numerical calculations and therefore we need physical models. Problems are related also to the quality of the holes in perforated...
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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
PublikacjaIn 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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Influence of Different Biofuels on the Efficiency of Gas Turbine Cycles for Prosumer and Distributed Energy Power Plants
PublikacjaThe efficiency of a gas turbine can be affected by the use of different biofuels usually with a relatively Lower Heating Value (LHV). The paper evaluates the impact of calorific value of fuel on turbine performance and analyzes the possibilities of optimizing turbine construction from the point of view of maximum efficiency for a particular fuel. The several variants of design of small power microturbines dedicated to various biofuels...
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Superconductivity in the intermetallic compound Zr5Al4
PublikacjaPolycrystalline Zr5Al4 was synthesized using the arc-melting method. Powder X-ray diffraction confirms the previously reported crystal structure of the Ti5Ga4-type P63/mcm with lattice parameters: a = 8.4312(6) A , and c = 5.7752(8) A . Electrical resistivity and low-temperature magnetic susceptibility measurements indicate that Zr5Al4 exhibits superconducting behavior below 2 K. The normalized heat capacity jump at Tc= 1.82 K...
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Enhancement of the Magnetoresistance in the Mobility‐Engineered Compensated Metal Pt 5 P 2
PublikacjaThe magnetoresistance (MR) in nonmagnetic materials continues to be a fertile research area in materials science. The search for giant, positive MR has been limited to a rather small window of materials such as high-mobility semimetals in single-crystalline form. Here, the observation of a very large positive MR in metallic Pt5P2 in polycrystalline form is reported. The observations reveal that improvement of the crystallinity...
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Fluid–Structure Interaction methods for the progressive anatomical and artificial aortic valve stenosis
PublikacjaCardiovascular system diseases, as aortic valve stenosis, are the main cause of mortality and morbidity among patients. There is still a room for enhancement of the diagnostic and therapeutic procedures, which will lead to improvement of the treatment. One of the remedies are the computer tools to support the medical diagnoses and prostheses design. The development of a procedure for modeling the aortic valves: anatomical tricuspid...
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Numerical analysis on axial capacity of steel built-up battened columns
PublikacjaThis paper deals with the numerical analysis aimed at study the bearing capacity of pinended steel built-up columns under axial compression. Finite element (FE) models were performed for the columns presented in the literature. The main problem discussed in the article is the shape and magnitude of geometric imperfections introduced into the numerical FE model, necessary to obtain the load capacity consistent with the experimental...
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FEM and experimental investigations of concrete temperature field in the massive stemwall of the bridge abutment
PublikacjaThe paper deals with the prediction of early-age concrete temperature of cast-in-place stemwall of the bridge abutment. The considered object is an arch bridge located in Gda´nsk. In the case of massive structures, it is particularly important to not exceed the temperature difference between the core and the concrete surface. Too high temperature gradient generates an increase in thermal stresses, what could be the reason of exceeding...
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Dynamics of fault arc traveling along busbars in high voltage switchboards = Dynamika łuku zwarciowego przemieszczającego się wzdłuż szyn rozdziel-nic wysokiego napięcia
PublikacjaThe paper presents the results of magnetic induction and electrodynamic force calculations acting on arc column during short-circuit in medium voltage air-insulated bus-bars. The gap between the bars was 120 mm and the prospective short-circuit currents ranged from 4 kA to 8 kA. The paper also shows the measurement results of average velocity fault arc depending on currents arc diameter and arc current was established and described....
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Local electrochemical impedance spectroscopy in dynamic mode of galvanic coupling
PublikacjaA novel method that combines local electrochemical impedance spectroscopy and mapping in dynamicmode is proposed. Method was validated over two galvanic couplings, namely zinc/copper and cad-mium/copper. Impedance spectrum response for all measuring points was obtained by means ofsimultaneous implementation of selected range of frequencies. Proposed method allows the measure-ment in a more time-efficient manner, at the same time...
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Aqueous solutions of NMA, Na2HPO4 , and NaH2PO4 as models for interaction studies in phosphate–protein systems
PublikacjaPhosphate buffers are essential for many areas of studies. However, their influence on buffered systems is often ignored. The phosphate salts can interact with biologically important macromolecules (e.g. proteins) and stabilize or destabilize them. With our research, we want to answer question what kind of interactions, if any, occur between phosphate ions and a protein backbone model — N-methylacetamide (NMA). ATR-FTIR spectroscopy...
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Au–Si plasmonic platforms: synthesis, structure and FDTD simulations
PublikacjaPlasmonic platforms based on Au nanostructures have been successfully synthesized by directional solidification of a eutectic from Au and the substrate. In order to determine homogeneous shape and space distribution, the influence of annealing conditions and the initial thickness of the Au film on the nanostructures was analyzed. For the surface morphology studies, SEM and AFM measurements were performed. The structure of platforms...
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Combined operation of 900MW power plant with the ORC through the bleed steam extraction point and CO2 recovery system
PublikacjaThe work presented here is aimed at utylisation of waste heat in the reference supercritical power plant in the manner to produce electricity in ORC installation. The waste heat is available in the form of a stream of hot water at 90 C, recovered from the exhaust gases in the amount of 200MW. Such low enthalpy heat source is rather insufficient to produce a good quality vapour to feed the ORC turbine. Therefore an original approach...
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Ultrafast Intramolecular Relaxation and Wave-Packet Motion in a Ruthenium-Based Supramolecular Photocatalyst
PublikacjaThe hydrogen-evolving photocatalyst [(tbbpy)2 Ru(tpphz)Pd(Cl)2 ](2+) (tbbpy=4,4'-di-tert-butyl-2,2'-bipyridine, tpphz=tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine) shows excitation-wavelength-dependent catalytic activity, which has been correlated to the localization of the initial excitation within the coordination sphere. In this contribution the excitation-wavelength dependence of the early excited-state relaxation...
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Photophysics of Ru(II) Dyads Derived from Pyrenyl-Substitued Imidazo[4,5-f][1,10]phenanthroline Ligands.
PublikacjaThe photophysics of a series of Ru(II) dyads based on the 2-(1-pyrenyl)-1H-imidazo[4,5-f][1,10]-phenanthroline ligand was investigated. The ability of these metal complexes to intercalate DNA and induce cell death upon photoactivation makes them attractive photosensitizers for a range of photobiological applications, including photodynamic therapy. In the present study, time-resolved transient absorption and emission spectroscopy...
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Design and distribution of air nozzles in the biomass boiler assembly
PublikacjaDue 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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Identification of the mechanical properties of the skin by electromechanical impedance analysis of resonant piezoelectric actuator
PublikacjaThis paper is devoted to the analysis and verification of developed piezoelectric sensor/actuator for measuring the mechanical properties of soft tissues, especially human skin. The key element of the measurement structure is an electromechanical system that uses both the reverse piezoelectric effect (vibration generation – stimulation of the tissues in the appropriate frequency range) and direct piezoelectric effect (system response...
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Hydroperoxyl radical and formic acid formation from common DNA stabilizers upon low energy electron attachment
Publikacja2-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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A simplified energy dissipation based model of heat transfer for post-dryout flow boiling
Publikacjamodel for post dryout mist flow heat transfer is presented based on considerations of energy dissipation in the flow. The model is an extension of authors own model developed earlier for saturated and subcooled flow boiling. In the former version of the model the heat transfer coefficient for the liquid singlephase convection as a reference was used, due to the lack of the appropriate model for heat transfer coefficient for the...
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Assessing groundwater vulnerability to pollution in the Puck region (denudation moraine upland) using vertical seepage method
PublikacjaDegradation of groundwater quality can cause a serious water supply and environmental problems. The identify of potential groundwater pollution can be determined by assessment of groundwater vulnerability method. The assessment of groundwater vulnerability to pollution was based on estimation of migration time of potential conservative contamination through the vadose zone. Area of investigation is a type of denudation moraine...
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Time-of-flight electron scattering from molecular hydrogen: Benchmark cross sections for excitation of the X1Σ+g→b3Σ+u transition
PublikacjaThe electron impact X1Σ+g to b3Σ+u transition in molecular hydrogen is one of the most important dissociation pathways to forming atomic hydrogen atoms, and is of great importance in modeling astrophysical and industrial plasmas where molecular hydrogen is a substantial constituent. Recently it has been found that the convergent close-coupling (CCC) cross sections of Zammit et al. [Phys. Rev. A 95, 022708 (2017)] are up to a factor...
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Superconductivity in a new intermetallic structure type based on endohedral Ta@Ir7Ge4 clusters
PublikacjaWe report the observation of superconductivity at a temperature near 3.5 K for the previously unreported compound TaIr2Ge2. In addition to being a superconductor, this material displays a new crystal structure type that contains endohedral clusters, as determined by single-crystal x-ray diffraction structure refinement; the structure is more complex than those of the commonly observed tetragonal 122 intermetallic phases. Despite...
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Verification of Selected Calculation Methods Regarding Shear Strength in Reinforced and Prestressed Concrete Beams
PublikacjaThe purpose of this article was an attempt to compare selected calculation methods regarding shear strength in reinforced and prestressed concrete beams. Several calculation methods were tested. This included codes: PN-EN 1992-1-1:2008 [1], ACI 318- 14 [2] and fib Model Code for Concrete Structures 2010 [3]. The analysis also consists of methods published in technical literature. Calculations of shear strengths were made based...
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HIGH TEMPERATURE HEAT PUMPS – PERSPECTIVE HEATING SYSTEMS?
PublikacjaIn the paper presented are authors own concepts of high temperature compressor heat pumps for the utilisation of medium and low temperature sources of heat. Working fluids for use in high temperature heat pumps are discussed, as well as the criteria for their selection. Analyses are presented for the production of in the upper steam source at 130 °C. One-stage systems and cascade systems were analyzed. An analysis of the coefficient...
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The Selection of Anchoring System for Floating Houses by Means of AHP Method
PublikacjaThis paper indicates and analyses the use of anchoring systems, such as mooring piles, booms, mooring cables, and deadweight anchors with additional elastic connectors, which are the most frequently applied by the producers of floating houses. The selection of the most advantageous anchoring system is complicated and requires the application of quantitative and qualitative data and methods. This publication presents the results...
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Rattling-enhanced superconductivity in MV2Al20 (M = Sc, Lu, Y) intermetallic cage compounds
PublikacjaPolycrystalline samples of four intermetallic compounds: MV2Al20 (M=Sc, Y, La, and Lu) were synthesized using an arc-melting technique. The crystal structures were analyzed by means of powder x-ray diffraction and Rietveld analysis, and the physical properties were studied by means of heat capacity, electrical resistivity, and magnetic susceptibility measurements down to 0.4 K. For ScV2Al20, LuV2Al20, and YV2Al20, superconductivity...
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Copper(II) complexes of 7-amino-2-methylchromone and 7-aminoflavone: Magneto-structural, spectroscopic and DFT characterization
PublikacjaFour new complexes of copper(II) consisting of two different chromone derivatives with carbonyl and amine donor atoms: 7-aminoflavone (L1) and 7-amino-2-methylchromone (L2), were synthesized and characterized by X-ray diffraction, UV–Vis, FT-IR, EPR spectroscopy, MS and elemental analysis. In all four compounds, the chromone derivatives were found to act as monodentate O- or N-ligands. The structural characteristics of 1a and...
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Self-Association of Amphotericin B: Spontaneous Formation of Molecular Structures Responsible for the Toxic Side Effects of the Antibiotic
PublikacjaAmphotericin B (AmB) is a lifesaving antibiotic used to treat deep-seated mycotic infections. Both the pharmaceutical activity and highly toxic side effects of the drug rely on its interaction with biomembranes, which is governed by the molecular organization of AmB. In the present work we present detailed analysis of self-assembly of AmB molecules in different environments, interesting from the physiological standpoint, based...
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Flow Process Models for Pipeline Diagnosis
PublikacjaThis chapter examines the problem of modeling and parameterization of the transmission pipeline flow process. First, the base model for discrete time is presented, which is a reference for other developed models. Then, the diagonal approximation (AMDA) method is proposed, in which the tridiagonal sub-matrices of the recombination matrix are approximated by their diagonal counterparts, which allows for a simple determination of...
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The efficiency of turbomachinery in the zero-and three-dimensional approaches
PublikacjaEfficiency of turbomachinery is usually defined using an isentropic process. This approach provides a reliable reference point only when pressure and temperature measurements are available, e.g. at the casing inlet and outlet. In the case of a single stage internal efficiency determination the reference point is difficult. Computational fluid dynamics allows for an exact calculation of values of losses occurring in a turbine...
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Practical Eco-Driving Strategy for Suburban Electric Multiple Unit
PublikacjaIn this paper, a practical approach to velocity profile optimization for electric multiple unit was presented. The study focuses on a case of fast urban railway, which is a popular mean of transport across Tricity, Poland. Based on observations and measurements, a potential for improvement of energy efficiency by modifying the speed profile was recognized. In order to conduct necessary calculations, simulation model of railway...
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NbIr 2 B 2 and TaIr 2 B 2 – New Low Symmetry Noncentrosymmetric Superconductors with Strong Spin–Orbit Coupling
PublikacjaSuperconductivity was first observed more than a century ago, but the search for new superconducting materials remains a challenge. The Cooper pairs in superconductors are ideal embodiments of quantum entanglement. Thus, novel superconductors can be critical for both learning about electronic systems in condensed matter and for possible application in future quantum technologies. Here two previously unreported materials, NbIr2B2...
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High performance filtering for big datasets from Airborne Laser Scanning with CUDA technology
PublikacjaThere are many studies on the problems of processing big datasets provided by Airborne Laser Scanning (ALS). The processing of point clouds is often executed in stages or on the fragments of the measurement set. Therefore, solutions that enable the processing of the entire cloud at the same time in a simple, fast, efficient way are the subject of many researches. In this paper, authors propose to use General-Purpose computation...
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Detection of Closing Crack in Beam Based on Responses Induced by Harmonic Excitation
PublikacjaThe non-linear contact model was chosen to simulate the closed crack in the cantilever beam. The study examines the shape and characteristics of the phase diagram of a cantilever beam with closed cracks. It investigates how various crack properties influence the geometry of the phase diagram and proposes a method for identifying cracks based on their features. The area of each closed curve in the phase diagram is determined using...
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Forced Vibrations in a Dynamic System That Is Damped By a Mechanism Which Trans-Pass Through Its Singular Position
PublikacjaThe paper focuses on forced vibrations of a mechanical system. The system is composed of two structurally different parts: multibody modelled and finite elements modelled. To improve its numerical behaviour, author-proposed technique of tuning of modal properties is proposed. To combine the two sub-models, constraint equations are introduced and dynamics equations are extended with appropriate Lagrange multipliers. A slightly modified...
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Comparison of methods for diagnosing marine IC engines based on working medium parameters including exhaust gas specific enthalpy
PublikacjaArticle points out methods currently used to diagnose marine engines in operation. The development of tools and programs for implementing these methods was pointed out. The problem of unsatisfactory measurement susceptibility of marine engines was highlighted. Three methods of parametric diagnosis are presented: measurement of in-cylinder parameters and in exhaust gas duct, numerical simulation due to computer software and calculations...
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Monte Carlo simulations of the fracture resistance of an asphalt pavement layer
PublikacjaThe purpose of the proposed numerical model is to analyze the cracking of the wearing course in a pavement overlay, assuming a pre-existing crack that passes through the binding layer and base. The computations employed the author's simulation-based Monte Carlo material model, which describes the failure process of a Semi-Circular Bend (SCB) specimen during standard laboratory testing of asphalt concrete. A key feature of this...