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Wyniki wyszukiwania dla: THEORETICAL PHYSICS
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Topology recognition and leader election in colored networks
PublikacjaTopology recognition and leader election are fundamental tasks in distributed computing in networks. The first of them requires each node to find a labeled isomorphic copy of the network, while the result of the second one consists in a single node adopting the label 1 (leader), with all other nodes adopting the label 0 and learning a path to the leader. We consider both these problems in networks whose nodes are equipped with...
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Electrical properties of organic and perovskite systems used in solar cells
PublikacjaNowadays, a great progress in the areas of molecular and hybrid photovoltaics is observed. The devices based on organic and perovskite materials are getting attention mostly due to their low cost production process. However, their efficiency and stability are still lower than for inorganic materials which make them less popular. Therefore, a detailed understanding of the device physics is fundamental for organic and perovskite...
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A new approach to β-decays studies impacting nuclear physics and astrophysics: The PANDORA setup
PublikacjaTheory predicts that lifetimes of β-radionuclides can change dramatically as a function of their ionization state. Experiments performed in Storage Rings on highly ionized atom have proven nuclei can change their beta decay lifetime up to several orders of magnitude. The PANDORA (Plasmas for Astrophysics, Nuclear Decay Observation and Radiation for Archaeometry) experiment is now conceived to measure, for the first time, nuclear...
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Low energy inelastic electron scattering from carbon monoxide: I. excitation of the a3Π, a’3Σ+ and AΠ1 electronic states.
PublikacjaDifferential scattering cross sections for electron excitation of the three lowest excited electron states of carbon monoxide are obtained experimentally using low-energy electron energy-loss spectroscopy and theoretically using the R-matrix method. The incident electron energies range from near-threshold of 6.3 eV to 20 eV. Experimental scattering angles range from 20◦ to 120◦. The normalization of the experimental cross sections...
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Quenching of bright and dark excitons via deep states in the presence of SRH recombination in 2D monolayer materials
PublikacjaTwo-dimensional (2D) monolayer materials are interesting systems due to an existence of optically non-active dark excitonic states. In this work, we formulate a theoretical model of an excitonic Auger process which can occur together with the trap-assisted recombination in such 2D structures. The interactions of intravalley excitons (bright and spin-dark ones) and intervalley excitons (momentum-dark ones) with deep states located...
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Rapid Multi-band Patch Antenna Yield Estimation Using Polynomial Chaos-Kriging
PublikacjaYield estimation of antenna systems is important to check their robustness with respect to the uncertain sources. Since the Monte Carlo sampling-based real physics simulation model evaluations are computationally intensive, this work proposes the polynomial chaos-Kriging (PC-Kriging) metamodeling technique for fast yield estimation. PC-Kriging integrates the polynomial chaos expansion (PCE) as the trend function of Kriging metamodel...
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Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions
PublikacjaIn this paper we report the improvements and extensions of the UNRES server (https://unres-server.chem.ug.edu.pl) for physics-based simulations with the coarse-grained UNRES model of polypeptide chains. The improvements include the replacement of the old code with the recently optimized one and adding the recent scale-consistent variant of the UNRES force field, which performs better in the modeling of proteins with the β and the...
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Fractional Spectral and Fractional Finite Element Methods: A Comprehensive Review and Future Prospects
PublikacjaIn this article, we will discuss the applications of the Spectral element method (SEM) and Finite element Method (FEM) for fractional calculusThe so-called fractional Spectral element method (f-SEM) and fractional Finite element method (f-FEM) are crucial in various branches of science and play a significant role. In this review, we discuss the advantages and adaptability of FEM and SEM, which provide the simulations of fractional...
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FURTHER REMARKS ON THE SURFACE VIS IMPRESSA CAUSED BY A FLUID-SOLID CONTACT
PublikacjaIt is well-known that, nano-mechanics should take into account not only physical phenomena occuring within the bulk but, first of all, the physical phenomena appropriate for a surface of two materials contact. The huge volume density of internal surfaces as well countours lines located within the nanomaterial results in our interest in, apart from classical form of mass, momentum and entropy transport, those modes of transportation...
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Surrogate Modeling and Optimization Using Shape-Preserving Response Prediction: A Review
PublikacjaComputer simulation models are ubiquitous in modern engineering design. In many cases, they are the only way to evaluate a given design with sufficient fidelity. Unfortunately, an added computa-tional expense is associated with higher fidelity models. Moreover, the systems being considered are often highly nonlinear and may feature a large number of designable parameters. Therefore, it may be impractical to solve the design problem...
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Anionic states of C6Cl6 probed in electron transfer experiments
PublikacjaThis is the first comprehensive investigation on the anionic species formed in collisions of fast neutral potassium (K) atoms with neutral hexachlorobenzene (C6Cl6) molecules in the laboratory frame range from 10 up to 100 eV. In such ion-pair formation experiments, we also report a novel K+ energy loss spectrum obtained in the forward scattering giving evidence of the most accessible electronic states. The vertical electron affinity...
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Recent progress in experimental studies of electrohydrodynamic flow in electrostatic precipitators
PublikacjaMany experimental, theoretical and numerical works were devoted to the electrohydrodynamic (EHD) flow generated in electrostatic precipitators (EPSs). The generally accepted conclusion from these studies is that the EHD flow plays an important role in the particle collection in ESPs. However, despite of the recent fast progress in numerical simulation and experimental techniques used in the ESPs studies many problems related to...
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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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TIME- AND FREQUENCY-DOMAIN QUASI-2D SMALL-SIGNAL MOSFET MODELS
PublikacjaA novel approach to small-signal MOSFET modeling is presented in this book. As a result, time- and frequency-domain physics-based quasi-2D NQS four-terminal small-signal MOSFET models are proposed. The time-domain model provides the background to a novel DIBL-included quasi‑2D NQS four-terminal frequency-domain small-signal MOSFET model. Parameters and electrical quantities of the frequency-domain model are described by explicit...
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Stark effect of atomic helium singlet lines
PublikacjaWe present experimental and theoretical investigations of the He spectral series 2S1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) and 2P1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) in electric fields up to 1635 kV/cm. Apart from the allowed transitions with |ΔL|=1, the transitions with |ΔL|=0,2,3,…-without field strictly forbidden-were observed. Several He patterns become similar to hydrogen patterns, which means they are nearly symmetric and show in higher fields...
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Effect of Different Bromine Sources on the Dual Cation Mixed Halide Perovskite Solar Cells
PublikacjaRecent research has shown that perovskite solar cells with a mixed dual A-cation have much better structural stability without loss of efficiency than single cation devices. Mixed cation perovskites create a lot of questions about the salts being used for the formation of the best-quality layer. Here, we have investigated three sources of bromide in the perovskite absorption layer, using lead bromide (PbBr2), formamidinium bromide...
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Topological extraordinary optical transmission
PublikacjaΤhe incumbent technology for bringing light to the nanoscale, the near-field scanning optical microscope, has notoriously small throughput efficiencies of the order of 10^4-10^5 or less. We report on a broadband, topological, unidirectionally guiding structure, not requiring adiabatic tapering and, in principle, enabling near-perfect (∼100%) optical transmission through an unstructured single arbitrarily subdiffraction slit at...
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A Wideband Channel Model for Body Area Networks in Circular Metallic Indoor Environments
PublikacjaIn this paper, the wideband characterization of the propagation channel in circular metallic indoor environments is addressed, regarding Body Area Networks and 5G small cells, an analytical model for the dependence of the mean delay and the average delay spread on the circle radius, the working frequency and the distance between the transmitter and the receiver being proposed. The derivation of the model is initially done analytically,...
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Beyond the helium buffer: 12C−2 rotational cooling in cold traps with H2 as a partner gas: interaction forces and quantum dynamics
Publikacjaabstract = { The scattering cross-sections and corresponding rate coefficients for rotationally inelastic collisions of $^{12}$C$_2$^-$ ($^2 \Sigma_g^+$) with H$_2$ ($^1 \Sigma_g^+$) are presented over a broad range of cold-trap temperatures. They have been calculated using quantum scattering theory that employs a new ab initio potential energy surface. The rate coefficients for the inelastic processes in the anionic partner are...
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Global Complex Roots and Poles Finding Algorithm in C × R Domain
PublikacjaAn algorithm to find the roots and poles of a complex function depending on two arguments (one complex and one real) is proposed. Such problems are common in many fields of science for instance in electromagnetism, acoustics, stability analyses, spectroscopy, optics, and elementary particle physics. The proposed technique belongs to the class of global algorithms, gives a full picture of solutions in a fixed region ⊂ C × R and...
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Sequence-dependent structural properties of B-DNA: what have we learned in 40 years?
PublikacjaThe structure of B-DNA, the physiological form of the DNA molecule, has been a central topic in biology, chemistry and physics. Far from uniform and rigid, the double helix was revealed as a flexible and structurally polymorphic molecule. Conformational changes that lead to local and global changes in the helix geometry are mediated by a complex choreography of base and backbone rearrangements affecting the ability of the B-DNA...
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Experimental economics in business education: Using simple games to achieve multifaceted effects
PublikacjaEconomics differs from other sciences not only because of its normative part, but also because of very limited use of experiments. In this way, economics is often perceived as being methodologically more similar to astronomy or meteorology rather than physics or chemistry. Over last decades, however, experimental economics has been significantly developed. This chapter presents some of the possibilities for academic teachers to...
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The role of Herzberg-Teller effects on the resonance Raman spectrum of trans-porphycene investigated by time dependent density functional theory.
PublikacjaThe S1 excited state properties as well as the associated absorption and resonance Raman (RR) spectra of trans-porphycene are investigated by means of time dependent density functional theory calculations. The relative magnitude of the Franck-Condon (FC) contribution and of the Herzberg-Teller (HT) effects is evaluated for both the absorption and RR intensities. The accuracy of the calculated spectra is assessed by employing different...
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A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
PublikacjaIn this theoretical work, we present a spectroscopic analysis of the cis/trans-isomers of a molecular switch, penta-2,4-dienoic acid, attached to gold clusters of different size (1, 2 and 20 gold atoms). We have simulated 4 different spectroscopic techniques: Infrared spectroscopy, normal Raman scattering, absorption spectra and resonance Raman scattering. We discuss how the position and the conformation of the molecule determine...
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Non-Newtonian Mathematics Instead of Non-Newtonian Physics: Dark Matter and Dark Energy from a Mismatch of Arithmetics
PublikacjaNewtonian physics is based on Newtonian calculus applied to Newtonian dynamics. New paradigms such as ‘modified Newtonian dynamics’ (MOND) change the dynamics, but do not alter the calculus. However, calculus is dependent on arithmetic, that is the ways we add and multiply numbers. For example, in special relativity we add and subtract velocities by means of addition β1⊕β2=tanh(tanh−1(β1)+tanh−1(β2)), although multiplication β1⊙β2=tanh(tanh−1(β1)⋅tanh−1(β2)),...
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H2O˙+ and OH+ reactivity versus furan: experimental low energy absolute cross sections for modeling radiation damage
PublikacjaRadiotherapy is one of the most widespread and efficient strategies to fight malignant tumors. Despite its broad application, the mechanisms of radiation-DNA interaction are still under investigation. Theoretical models to predict the effects of a particular delivered dose are still in their infancy due to the difficulty of simulating a real cell environment, as well as the inclusion of a large variety of secondary processes. This...
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Optimization of parallel implementation of UNRES package for coarse‐grained simulations to treat large proteins
PublikacjaWe report major algorithmic improvements of the UNRES package for physics-based coarse-grained simulations of proteins. These include (i) introduction of interaction lists to optimize computations, (ii) transforming the inertia matrix to a pentadiagonal form to reduce computing and memory requirements, (iii) removing explicit angles and dihedral angles from energy expressions and recoding the most time-consuming energy/force terms...
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Electronic structure of intertwined kagome, honeycomb, and triangular sublattices of the intermetallics MCo2Al9 ( M = Sr, Ba)
PublikacjaIntermetallics are an important playground to stabilize a large variety of physical phenomena, arising from their complex crystal structure. The ease of their chemical tunabilty makes them suitable platforms to realize targeted electronic properties starting from the symmetries hidden in their unit cell. Here, we investigate the family of the recently discovered intermetallics MCo2Al9 (M=Sr, Ba) and we unveil their electronic structure....
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The energy approach to fatigue crack growth of S355 steel welded specimens subjected to bending
PublikacjaThe study presents the results of the research on the rate of fatigue crack growth subjected to bending in the ferritic-pearlitic structure. The studies were carried out at a constant amplitude of the moment and at various values of the load ratios R and at the operating frequency of the machine of 28.4 Hz. Flat specimens made of S355 steel and with fillet welds and with double-sided blunt external notches as well as concave...
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Cyclic deformation and fracture behaviour of additive manufactured maraging steel under variable-amplitude loading
PublikacjaThe cyclic deformation and fracture behaviour of 18Ni300 maraging steel produced by laser beam powder bed fusion is studied under variable-amplitude loading. The tests were conducted under fully-reversed strain-controlled conditions with a loading sequence comprising three ascending cycles and three descending cycles repeated sequentially until failure. After the tests, fracture surfaces were examined using height and volume surface...
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The elasto-plastic numerical study of crack initiation in notched PMMA specimens under uniaxial loading conditions – Tension and torsion
PublikacjaThis paper presents the results of FEM numerical calculations aimed at describing the plastic strain and stress fields under critical loading conditions: tensile force or torsional moment. The calculations were carried out with reference to the results of experimental tensile and torsional tests of flat PMMA specimens weakened with V-notches of different root radii: 0.5, 2 and 10 mm. The procedure for conducting nonlinear numerical...
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METHOD FOR SHIP'S ROLLING PERIOD PREDICTION WITH REGARD TO NON-LINEARITY OF GZ CURVE
PublikacjaThe paper deals with the problem of prediction of the rolling period. A special emphasis is put on the practical application of the new method for rolling period prediction with regard to non-linearity of the GZ curve. The one degree-of-freedom rolling equation is applied with using the non-linear stiffness moment and linear damping moment formulas. A number of ships are considered to research the discrepancies between the pending...
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The use of a two-phase Monte Carlo material model to reflect the dispersion of asphalt concrete fracture parameters
PublikacjaThe work covers comprehensive laboratory tests of semi-circular bending (SCB) of asphalt concrete samples. The results of two test series, including four and 32 SCB specimens, indicate a substantial scatter of force–deflection (F-d) histories. The numerical analysis is aimed to reflect the maximum breaking load and fracture energy of the samples, pointing out their random character. The original simulation-based fictitious Monte...
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LINEAR CHARACTERISTICS OF THE SLOSHING PHENOMENON FOR THE PURPOSE OF ON-BOARD SHIP'S STABILITY ASSESSMENT
PublikacjaThe paper presents results of experimental research and numerical simulations of the sloshing phenomenon. The research was focused on computation of the heeling moment affecting stability of a vessel. The proposed linearisation enables application of the results to the assessment of the ship's stability. The dependence of the heeling moment upon localisation of a tank in the ship's hull is analysed. The heeling moment obtained...
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Parameter estimation of a discrete model of a reinforced concrete slab
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Experimental validation of the use of energy transfer ratio (ETR) for damage diagnosis of steel-concrete composite beams
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Neuro-wavelet damage detection technique in beam, plate and shell structures with experimental validation
PublikacjaNiniejsza praca poświęcona jest technice diagnostyki konstrukcji bazującej na transfor-macie falkowej oraz sztucznych sieciach neuronowych (tzw. system neuro-wavelet). Zastosowanie analizy falkowej pozwala na lokalizację uszkodzeń wymagającą mini-malnej ilości danych wejściowych. W tym celu niezbędna jest tylko odpowiedź kon-strukcji pomierzona w wielu punktach. Poprawę efektywności lokalizacji zniszczeń uzyskano poprzez użycie...
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THE PERFORMANCE OF SELECTED AB INITIO METHODS IN ESTIMATING ELECTRON BINDING ENERGIES OF SUPERHALOGEN ANIONS
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Seeking genetic signature of radiosensitivity - a novel method for data analysis in case of small sample sizes
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The use of response surface methodology for reliability estimation of composite engineering structures
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Fe-Al based composite reinforced with ultra-fine Al<sub>2</sub>O<sub>3</sub> oxides for high temperature applications
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Assessment of fatigue life of aluminized, coarse-grained MAR247 alloy supported by full-field ESPI measurements
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Enhanced energy conversion as a result of fluid-solid interaction in micro- and nanoscale
PublikacjaIt is known that nano- and micromechanics require new approaches to right describing of surface-like phenomena which lead to an enhanced energy conversion. In this work, a general form of surface forces that consist of a contribution from both the friction and mobility components has been extended to collect the effects of bulk and surface motion of a fluid. Quite similar impact can be observed for a solid-fluid mixture, where...
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Polyester sail technical woven fabric behaviour under uniaxial and biaxial tensile tests
PublikacjaThe paper is focused on the identification of mechanical properties of a sail technical woven fabric (yacht sailcloth polyester) style 480 AP with MTO (Medium Tempered Optimized) finish. The non-linear elastic behaviour of the fabric applied for sails is investigated under uniaxial and biaxial tensile tests. Comparison of non-linear elastic parameters with others polyester coated fabrics is made. This paper is intended to be an...
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ADAPTATION OF ENGINEERING FEA-BASED ALGORITHMS TO LCF FAILURE AND MATERIAL DATA PREDICTION IN OFFSHORE DESIGN
PublikacjaThere is an ever growing industrial demand for quantitative assessment of fatigue endurance of critical structural details. Although FEA-based calculations have become a standard in engineering design, problems involving the Low-To-Medium cycle range (101-104) remain challenging. This paper presents an attempt to optimally choose material data, meshing density and other algorithm settings in the context of recent design of the...
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A perfect hashing incremental scheme for unranked trees using pseudo-minimal automata
PublikacjaWe describe a technique that maps unranked trees to arbitrary hash codes using a bottom-up deterministic tree automaton (DTA). In contrast to other hashing techniques based on automata, our procedure builds a pseudo-minimal DTA for this purpose. A pseudo-minimal automaton may be larger than the minimal one accepting the same language but, in turn, it contains proper elements (states or transitions that are unique) for every input...
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Toward mechanosynthesis of diamondoid structures: V. Silicon as the material of choice for preliminary implementation of intermediate generation of nano-machine systems
PublikacjaStosując ostatnio wprowadzony przez Drexlera ''moduł skalowany stałą sieciową'' KLM, porównano dwa potencjalne nano-materiały, krzem i diament. Szczegółowe porównanie właściwości fizycznych i chemicznych wykazuje, że krzem może być rozważany jako materiał z wyboru dla pierwotnej implementacji pośredniej generacji nano-systemów.
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Towards mechanosynthesis of diamondoid structures: iv. The strategy for preliminary implementation of elenbogen's ''mater as software'' concept
PublikacjaOpublikowana wcześniej (Molecular Electronics and Molecular Electronic Devices, Vol. 1, Chap. 2, CRC Press, Inc. 1993, pp. 31-83) strategia budowy molekularnych urządzeń ulektronicznych w oparciu o polisilany jest rozszerzona w kierunku koncepcji Ellenbogena ''mater as software'' poprzez rozważenie użycia zamkniętej jednościennej nanorórki jako ostrza STM w celu umożliwienia manipulacji cząsteczkami sililenu.
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MOLECULAR SIMULATIONS OF NEOCARZINOSTATIN CHROMOPHORE RELEASE MECHANISM
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The inverse problem in a hyperbolic section radial compressor.
PublikacjaNa przykładzie wirnika sprężarki porównano wyniki rozwiązania zadania odwrotnego w ramach modelu 2D prowadzącego do kształtu wirnika, z zadaniem prostym, w ramach modelu 3D, dla skonstruowanego wirnika na bazie modelu 2D.Zasadniczym celem było uzyskanie równomiernych (bez oderwań) pól parametrów w obrębie wirnika sprężarki. Pokazano jak zmiana obrysu wirnika, z klasycznego kształtu stożkowego na hiperboliczny, wpłynąć może na...