Wyniki wyszukiwania dla: symmetry-breaking bifurcation
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Solvent Exchange around Aqueous Zn(II) from Ab Initio Molecular Dynamics Simulations
PublikacjaHydrated zinc(II) cations, due to their importance in biological systems, are the subject of ongoing research concerning their hydration shell structure and dynamics. Here, ab initio molecular dynamics (AIMD) simulations are used to study solvent exchange events around aqueous Zn2+, for which observation in detail is possible owing to the considerable length of the generated trajectory. While the hexacoordinated Zn(H2O)62+ is the...
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A New Microwave Ceramic – Polymer Composite with 0-3 Connectivity
PublikacjaGoal of the present research was to fabricate and study two-phase BiNbO4//PVDF composites with 0-3 connectivity. Such composite consists of there-dimensionally connected polymer matrix loaded with dielectric ceramic particles. In the present case BiNbO4 powder acted as an active phase (dispersed phase) whereas polyvinylidene fluoride (PVDF) acted as a non-active (passive) phase (matrix). BiNbO4//PVDF composites with the volume...
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Observation of the Hydrogen Migration in the Cation-Induced Fragmentation of the Pyridine Molecules
PublikacjaThe ability to selectively control chemical reactions related to biology, combustion, and catalysis has recently attracted much attention. In particular, the hydrogen atom relocation may be used to manipulate bond-breaking and new bond-forming processes and may hold promise for far-reaching applications. Thus, the hydrogen atom migration preceding fragmentation of the gas-phase pyridine molecules by the H+, H2+, He+, He2+, and...
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Ekspatrianta versus lokalny menedżer, czyli kto powinien kierować filią zagraniczną? = Expatriate versus host country manager - who should run a foreign subsidiary?
PublikacjaThere is ample literature on expatriate management that presents a parent company's point of view on this issue. A consideration of subsidiary management from the local perspective is missing. Relationships with foreigners (including expatriates) are cross-cultural interactions and their effectiveness is affected by cultural factors. Therefore, in this article there are questions that need to be answered:1. What role does an expatriate...
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Ionic conductivity behavior by activated hopping conductivity (AHC) of barium aluminoborosilicate glass–ceramic system designed for SOFC sealing
PublikacjaNon-conducting BaO-B2O3-Al2O3-SiO2 parent glasses designed for solid oxide fuel cell (SOFC) sealing applications were prepared using the melt-quenching technique. The glass formation region was determined according to phase equilibrium relations and was found to be in the composition range 70BaO-(x)Al2O3-(10−x)B2O3-20SiO2 where 3.0 < x < 6.0 wt%. The conductivity values obtained conductivity ranged from 10−5 to 10−10 S/cm at temperatures...
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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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FTIR spectroscopic and thermogravimetric characterization of ground tyre rubber devulcanized by microwave treatment
PublikacjaIn this work, the phenomena involved in the microwave devulcanization of ground tyre rubber (GTR) were investigated. Three types of GTR with different content of organic compounds (elastomers, plasticizers, etc.), carbon black and ash have been studied. The chemical structure of GTR before and after a microwave devulcanization process was analyzed by Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA)...
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KernelHive: a new workflow-based framework for multilevel high performance computing using clusters and workstations with CPUs and GPUs
PublikacjaThe paper presents a new open-source framework called KernelHive for multilevel parallelization of computations among various clusters, cluster nodes, and finally, among both CPUs and GPUs for a particular application. An application is modeled as an acyclic directed graph with a possibility to run nodes in parallel and automatic expansion of nodes (called node unrolling) depending on the number of computation units available....
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Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy
PublikacjaThe thermally induced self-healing mechanisms in metallopolymers based on bisterpyridine complexes of iron(II) sulfate and cadmium(II) bromide, respectively, were studied by means of combined quantum mechanical/molecular mechanical (QM/MM) simulations and Raman spectroscopy. Two possible healing schemes, one based on a decomplexation of the cross-linking complexes and a second one relying on the dissociation of ionic clusters,...
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Channel Blockage and Flow Maldistribution during Unsteady Flow in a Model Microchannel Plate heat Exchanger
PublikacjaThis paper describes the problem of channel blockage as a result of flow maldistribution between the channels of a model mini channel plate heat exchanger consisting of one pass on each leg. Each leg of the heat exchanger contains 51 parallel and rectangular minichannels of four hydraulic diameters namely 461 μm, 571 μm, 750 μm and 823 μm. In addition, a more complex geometry has been investigated where for the sake of breaking...
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π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex
PublikacjaThe synthesis and characterization of a mixed metal ruthenium(II)/gold(III) complex bridged by tetrapyridophenazine (tpphz) are described. It is isostructural and isoelectronic to the well-known photocatalysts with palladium(II) or platinum(II). Concentration dependent 1H-NMR spectroscopy and XRD studies show that the electrostatic repulsion between the gold(III) moieties exceeds the attractive π-stacking interaction. Theoretical...
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Coordination polymers and molecular structures among complexes of mercury(II) halides with selected 1-benzoylthioureas
PublikacjaSix new 1-benzoyl-3-phenylthiourea and 1-benzoyl-3-(2-methylphenyl)thiourea complexes of mercury( II) were obtained in the reactions of the ligands with HgX2 in methanol (X = Cl, Br, I). Their structures, determined by single-crystal X-ray diffraction analysis, exhibit different stoichiometries and molecular organization. Coordination centers adopt more or less distorted tetrahedral geometry (five structures) or distorted trigonal...
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Do Leonardo da Vinci’s drawings, room acoustics and radio astronomy have anything in common?
PublikacjaAfter introducing Leonardo da Vinci’s (LdV) predecessors in the field of light propagation research, his drawings on the topic of reflecting light by a spherical mirror are analysed. The discovery of LdV is presented, according to which, at an infinitely distant source of rays, a small fragment of the canopy is enough to generate a focus, while the rest of the mirror forms a caustic for which LdV did not indicate an application....
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Influence of processing conditions on crystal structure of BiNbO 4 ceramics
PublikacjaBismuth niobate (BiNbO4) has attracted attention as a low-fired ceramics with promising microwave application potential. It belongs to the bismutocolumbite oxides with similarly to scheelite-like stibiotantalite structure (SbTaO4) A3+B5+O4. Aim of the present research was to fabricate BiNbO4 ceramics by solid state reaction route from the mixture of simple oxides viz. Bi2O3, and Nb2O5, and study its phase composition as well as...
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Nondestructive corrosion degradation assessment based on asymmetry of guided wave propagation field
PublikacjaThe article presents the results of numerical and experimental investigation of guided wave propagation in steel plates subjected to corrosion degradation. The development of novel procedures allowing for the assessment of the corrosion degradation level is crucial in the effective diagnostics of offshore and ship structures that are especially subjected to aggressive environments. The study’s main aim is to investigate the influence...
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Techniki zwiększania efektywności metody elementów skończonych poprzez redukcję dziedziny obliczeniowej z wykorzystaniem własności geometrii struktur
PublikacjaWspółczesna elektronika ze względu na swój szybki rozwój wymaga od nas efektywnego modelowania zjawisk polowych. Celem rozprawy jest zwiększanie efektywności metody elementów skończonych poprzez redukcję dziedziny obliczeniowej z wykorzystaniem własności geometrii struktur oraz jej hybrydyzację z użyciem technik analitycznych. Rozprawa zawiera przegląd stanu wiedzy na temat dostępnych obecnie technik modelowania jak również opis...
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Hyaluronan-Chondroitin Sulfate Anomalous Crosslinking Due to Temperature Changes
PublikacjaGlycosaminoglycans are a wide class of biopolymers showing great lubricating properties due to their structure and high affinity to water. Two of them, hyaluronic acid and chondroitin sulfate, play an important role in articular cartilage lubrication. In this work, we present results of the all-atom molecular dynamics simulations of both molecules placed in water-based solution. To mimic changes of the physiological conditions,...
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The influence of screw configuration and screw speed of co-rotating twin screw extruder on the properties of products obtained by thermomechanical reclaiming of ground tire rubber
PublikacjaThe results of our investigations on the process of continuous thermomechanical reclaiming of ground tire rubber (GTR) carried out using a twin screw extruder are presented.We used a co-rotating twin screw extruder with a special configuration of plasticizing unit, enabling generation of considerable shear forces. The influence of screw configuration and screw speed on breaking of chemical crosslink bonds contained in ground tire...
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A highly-efficient technique for evaluating bond-orientational order parameters
PublikacjaWe propose a novel, highly-efficient approach for the evaluation of bond-orientational order parameters (BOPs). Our approach exploits the properties of spherical harmonics and Wigner 3jj-symbols to reduce the number of terms in the expressions for BOPs, and employs simultaneous interpolation of normalised associated Legendre polynomials and trigonometric functions to dramatically reduce the total number of arithmetic operations....
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Fabrication of La-Doped Bi4Ti3O12 Ceramics
PublikacjaLa-modified Bi4Ti3O12 is a typical ferroelectric, piezoelectric and electro-optic material, having relatively low coercive field, low dielectric constant, high Curie temperature and high breakdown strength. Goal of the present research was to apply mixed oxide method for fabrication of BiTLax ceramics, study its chemical composition, crystalline structure and microstructure. The compound BiTLax for x=0, 0.25, 0.5, 0.75 ceramic...
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The influence of intermolecular correlations on the infrared spectrum of liquid dimethyl sulfoxide
PublikacjaDimethyl sulfoxide (DMSO) is routinely applied as an excellent, water-miscible solvent and chemical reagent. Some of the most important data concerning its liquid structure were obtained using infrared (IR) spectroscopy. However, the actual extent of intermolecular correlations that connect the isolated monomer spectrum to the IR response of the bulk liquid is poorly studied thus far. Using ab initio molecular dynamics (AIMD) simulations,...
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10-Methyl- and 9,10-dimethyl acridinium methyl sulfate
PublikacjaThe title compounds, C(14)H(12)N(+).CH(3)O(4)S(-), (I), and C(15)H(14)N(+).CH(3)O(4)S(-), (II), respectively, crystallize with the planar 10-methylacridinium or 9,10-dimethylacridinium cations arranged in layers, parallel to the twofold axis in (I) and perpendicular to the 2(1) axis in (II). Adjacent cations in both compounds are packed in a 'head-to-tail' manner. The methyl sulfate anion only exhibits planar symmetry in (II)....
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Topological-numerical analysis of a two-dimensional discrete neuron model
PublikacjaWe conduct computer-assisted analysis of a two-dimensional model of a neuron introduced by Chialvo in 1995 [Chaos, Solitons Fractals 5, 461–479]. We apply the method of rigorous analysis of global dynamics based on a set-oriented topological approach, introduced by Arai et al. in 2009 [SIAM J. Appl. Dyn. Syst. 8, 757–789] and improved and expanded afterward. Additionally, we introduce a new algorithm to analyze the return times...
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Fluid structure interaction study of non-Newtonian Casson fluid in a bifurcated channel having stenosis with elastic walls
PublikacjaFluid–structure interaction (FSI) gained a huge attention of scientists and researchers due to its applications in biomedical and mechanical engineering. One of the most important applications of FSI is to study the elastic wall behavior of stenotic arteries. Blood is the suspension of various cells characterized by shear thinning, yield stress, and viscoelastic qualities that can be assessed by using non-Newtonian models. In this...
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Hyperelastic Microcantilever AFM: Efficient Detection Mechanism Based on Principal Parametric Resonance
PublikacjaThe impetus of writing this paper is to propose an efficient detection mechanism to scan the surface profile of a micro-sample using cantilever-based atomic force microscopy (AFM), operating in non-contact mode. In order to implement this scheme, the principal parametric resonance characteristics of the resonator are employed, benefiting from the bifurcation-based sensing mechanism. It is assumed that the microcantilever is made...
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Mechanical properties of VL E27 steel for shipbuilding – tensile test in ambient temperature
Dane BadawczeOne of the basic divisions of steels used for ship hulls and ocean engineering structures is the division into: normal strength steels, high strength steels and extra high strength steels. The belonging to the group is determined by the mechanical properties of the steel, such as: yield point, ultimate strength and plastic elongation after fracture....
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Mechanical properties of VL E27 steel for shipbuilding – tensile test in 0°C
Dane BadawczeOne of the basic divisions of steels used for ship hulls and ocean engineering structures is the division into: normal strength steels, high strength steels and extra high strength steels. The belonging to the group is determined by the mechanical properties of the steel, such as: yield point, ultimate strength and plastic elongation after fracture....
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Mechanical properties of VL E27 steel for shipbuilding – tensile test in -20°C
Dane BadawczeOne of the basic divisions of steels used for ship hulls and ocean engineering structures is the division into: normal strength steels, high strength steels and extra high strength steels. The belonging to the group is determined by the mechanical properties of the steel, such as: yield point, ultimate strength and plastic elongation after fracture....
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Mechanical properties of VL E27 steel for shipbuilding – fracture documentation (test in +20°C)
Dane BadawczeOne of the basic divisions of steels used for ship hulls and ocean engineering structures is the division into: normal strength steels, high strength steels and extra high strength steels. The belonging to the group is determined by the mechanical properties of the steel, such as: yield point, ultimate strength and plastic elongation after fracture....
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Mechanical properties of VL E27 steel for shipbuilding – fracture documentation (test in 0°C)
Dane BadawczeOne of the basic divisions of steels used for ship hulls and ocean engineering structures is the division into: normal strength steels, high strength steels and extra high strength steels. The belonging to the group is determined by the mechanical properties of the steel, such as: yield point, ultimate strength and plastic elongation after fracture....
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Mechanical properties of VL E27 steel for shipbuilding – fracture documentation (test in -20°C)
Dane BadawczeOne of the basic divisions of steels used for ship hulls and ocean engineering structures is the division into: normal strength steels, high strength steels and extra high strength steels. The belonging to the group is determined by the mechanical properties of the steel, such as: yield point, ultimate strength and plastic elongation after fracture....
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Mechanical properties of VL E27 steel for shipbuilding –SEM fracture investigation (Charpy test in -60°C)
Dane BadawczeOne of the basic divisions of steels used for ship hulls and ocean engineering structures is the division into: normal strength steels, high strength steels and extra high strength steels. The belonging to the group is determined by the mechanical properties of the steel, such as: yield point, ultimate strength and plastic elongation after fracture....
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Mechanical properties of VL E27 steel for shipbuilding –SEM fracture investigation (Charpy test in +20°C)
Dane BadawczeOne of the basic divisions of steels used for ship hulls and ocean engineering structures is the division into: normal strength steels, high strength steels and extra high strength steels. The belonging to the group is determined by the mechanical properties of the steel, such as: yield point, ultimate strength and plastic elongation after fracture....
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Mechanical properties of VL E27 steel for shipbuilding –SEM fracture investigation (Charpy test in -40°C)
Dane BadawczeOne of the basic divisions of steels used for ship hulls and ocean engineering structures is the division into: normal strength steels, high strength steels and extra high strength steels. The belonging to the group is determined by the mechanical properties of the steel, such as: yield point, ultimate strength and plastic elongation after fracture....
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Mechanical properties of VL E27 steel for shipbuilding –SEM fracture investigation (Charpy test in -50°C)
Dane BadawczeOne of the basic divisions of steels used for ship hulls and ocean engineering structures is the division into: normal strength steels, high strength steels and extra high strength steels. The belonging to the group is determined by the mechanical properties of the steel, such as: yield point, ultimate strength and plastic elongation after fracture....
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Mechanical properties of VL E27 steel for shipbuilding – tensile test in +20°C, specimens diameter 10 mm
Dane BadawczeOne of the basic divisions of steels used for ship hulls and ocean engineering structures is the division into: normal strength steels, high strength steels and extra high strength steels. The belonging to the group is determined by the mechanical properties of the steel, such as: yield point, ultimate strength and plastic elongation after fracture....
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Mechanical properties of VL E27 steel for shipbuilding – tensile test in +20°C, specimens diameter 14 mm
Dane BadawczeOne of the basic divisions of steels used for ship hulls and ocean engineering structures is the division into: normal strength steels, high strength steels and extra high strength steels. The belonging to the group is determined by the mechanical properties of the steel, such as: yield point, ultimate strength and plastic elongation after fracture....
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Mechanical properties of VL E27 steel for shipbuilding – tensile test in +20°C, specimens diameter 20 mm
Dane BadawczeOne of the basic divisions of steels used for ship hulls and ocean engineering structures is the division into: normal strength steels, high strength steels and extra high strength steels. The belonging to the group is determined by the mechanical properties of the steel, such as: yield point, ultimate strength and plastic elongation after fracture....
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Mechanical properties of VL E27 steel for shipbuilding –SEM fracture investigation (Charpy test in 0°C)
Dane BadawczeOne of the basic divisions of steels used for ship hulls and ocean engineering structures is the division into: normal strength steels, high strength steels and extra high strength steels. The belonging to the group is determined by the mechanical properties of the steel, such as: yield point, ultimate strength and plastic elongation after fracture....
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Mechanical properties of VL E27 steel for shipbuilding –SEM fracture investigation (Charpy test in -20°C)
Dane BadawczeOne of the basic divisions of steels used for ship hulls and ocean engineering structures is the division into: normal strength steels, high strength steels and extra high strength steels. The belonging to the group is determined by the mechanical properties of the steel, such as: yield point, ultimate strength and plastic elongation after fracture....
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The power spectral density of audible noise and electric disturbances in ship’s electrical drive systems with frequency converters
Dane BadawczeThe presented dataset is part of research focusing on the impact of the ship's electrical drive systems with frequency converters on vibrations and the level of audible noise on ships.
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Ice Phenomena in River Mouths
PublikacjaRiver outlets located in tideless areas are analyzed in this paper. First, ice processes in the St Clair River mouth are presented. The river mouth, called St. Clair Flats is a typical river delta located on the shore of Lake St. Clair. Based on this example ice jam formation in river delta has been analyzed followed by a presentation of the main mechanism of ice jam formation. The Vistula River mouth is a man-made, artificial...
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Impact of SDN Controller’s Performance on Quality of Service
PublikacjaSoftware Defined Networking is a paradigm in network architecture; that is quickly becoming commonplace in modern telecommunication systems. It facilitates network customization for the requirements of different applications and simplifies the implementation of new services. Since its proposal, a significant evolution in its functionality has occurred. However, this development brought along problems of efficiency and performance,...
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FEM analysis of composite materials failure in nonlinear six field shell theory
PublikacjaThe monography deals with the problem of failure initiation in thin laminated composites. Known techniques of laminate structures modelling are briefly characterised. Eventually, shell based approach is chosen for the purpose of the description of the composite structures behaviour, as it predicts their deformation and states of stress effectively in a global sense. The nonlinear six parameter shell theory (6p theory) with asymmetric...
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Structural and spectroscopic investigation of new luminescent hybrid materials based on calix[4]arene-tetracarboxylate and Ln 3+ ions (Ln = Gd, Tb or Eu)
PublikacjaLanthanide-calixarene hybrid materials are of particular interest due to the combination of the interesting properties of the ligand cavity-like structure and the luminescent features of lanthanides. The aim of this study was to synthesize and investigate the photophysical properties of Eu3+, Tb3+ and Gd3+ hybrids based on calix[4]arene-tetracarboxylate. The preparation of two structurally different...
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Normalization of face illumination using basic knowledge and information extracted from a single image
PublikacjaThis paper presents a method for face image normalization that can be applied to the extraction of illumination invariant facial features or used to remove bad lighting effects and produce high-quality, photorealistic results. Most of the existing approaches concentrate on separating the constant albedo from the variable light intensity; that concept, however, is based on the Lambertian model, which fails in the presence of specularities...
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Estimation of Failure Initiation in Laminated Composites by means of Nonlinear Six-Field Shell Theory and FEM
PublikacjaThe monography deals with the problem of failure initiation in thin laminated composites. Known techniques of laminate structures modelling are briefly characterised. Eventually, shell based approach is chosen for the purpose of the description of the composite structures behaviour, as it predicts their deformation and states of stress effectively in a global sense. The nonlinear six parameter shell theory (6p theory) with asymmetric...
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A Task-Scheduling Approach for Efficient Sparse Symmetric Matrix-Vector Multiplication on a GPU
PublikacjaIn this paper, a task-scheduling approach to efficiently calculating sparse symmetric matrix-vector products and designed to run on Graphics Processing Units (GPUs) is presented. The main premise is that, for many sparse symmetric matrices occurring in common applications, it is possible to obtain significant reductions in memory usage and improvements in performance when the matrix is prepared in certain ways prior to computation....
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Copper(II) complexes with substituted imidazole and chlorido ligands: X-ray, UV-Vis, magnetic and EPR studies and chemotherapeutic potential
PublikacjaCrystal structures, UV-Vis and EPR spectra and magnetic properties of four copper(II) complexes with chloride anions and 4-methylimidazole, 2-ethylimidazole, 2-isopropylimidazole or 2-ethyl-4-methylimidazole are described. In the solid state three of the complexes are mononuclear and one complex with 2-ethylimidazole is binuclear with bridging chlorido ions. UV-Vis spectra of the methanolic solutions of the complexes show LMCT...
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INFLUENCE OF CERAMIC COATING ON MECHANICAL PROPERTIES OF STAINLESS STEEL
PublikacjaCrystal structure and phase composition of stainless steel substrates (AISI 304 type) was studied and it was found that they adopted the cubic symmetry. The calculated elementary cell parameter for the mayor Fe-Ni phase (weight fraction 99%) was a = 3.593 Å, whereas the mean grain size was = 2932 Å. Morphology of the stainless steel substrate surface was studied with profilometry. Mechanical properties of the stainless steel...