Filtry
wszystkich: 850
Wyniki wyszukiwania dla: systems theory
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Computational Study of Molecular Interactions in ZnCl2(urea)2 Crystals as Precursors for Deep Eutectic Solvents
PublikacjaDeep eutectic solvents (DESs) are now enjoying an increased scientific interest due to their interesting properties and growing range of possible applications. Computational methods are at the forefront of deciphering their structure and dynamics. Type IV DESs, composed of metal chloride and a hydrogen bond donor, are among the less studied systems when it comes to their understanding at a molecular level. An important example...
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Adsorption onto zeolites: molecular perspective
Publikacja2D minerals are among key elements of advanced systems, but the need for understanding their interactions/reactions with materials and systems in which they are involved necessitates tracking their molecular and atomic monitoring. Zeolitic structures are microporous materials formed in the nature through volcanic activities or synthesis. Because of their outstanding physicochemical properties like cation exchange capacity and excellent...
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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublikacjaDensity functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFTMD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in...
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Spectroscopic and cytotoxic characteristics of (p-cymene)Ru(II) complexes with bidentate coumarins and density functional theory comparison with selected Pd(II) complexes
PublikacjaThis paper presents the synthesis of two new (p-cymene)-ruthenium(II) complexes with the bidentate coumarin ligands. Both complexes were characterized by FTIR spectroscopy, 1H NMR, 13C NMR, MS, elemental analysis and DFT calculations. The X-ray structure of complex 3a was also solved. The cytotoxic properties of both complexes were examined on human leukemia NALM-6 and HL-60 cells and melanoma WM-115 cells. The complexes possess...
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A novel one-variable first-order shear deformation theory for biaxial buckling of a size-dependent plate based on Eringen’s nonlocal differential law
PublikacjaPurpose – This paper aims to present a new one-variable first-order shear deformation theory (OVFSDT) using nonlocal elasticity concepts for buckling of graphene sheets. Design/methodology/approach – The FSDT had errors in its assumptions owing to the assumption of constant shear stress distribution along the thickness of the plate, even though by using the shear correction factor (SCF), it has been slightly corrected, the errors...
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Damped forced vibration analysis of single-walled carbon nanotubes resting on viscoelastic foundation in thermal environment using nonlocal strain gradient theory
PublikacjaIn this paper, the damped forced vibration of single-walled carbon nanotubes (SWCNTs) is analyzed using a new shear deformation beam theory. The SWCNTs are modeled as a flexible beam on the viscoelastic foundation embedded in the thermal environment and subjected to a transverse dynamic load. The equilibrium equations are formulated by the new shear deformation beam theory which is accompanied with higher-order nonlocal strain...
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Effects of Surface Energy and Surface Residual Stresses on Vibro-Thermal Analysis of Chiral, Zigzag, and Armchair Types of SWCNTs Using Refined Beam Theory
PublikacjaIn this article, vibration characteristics of three different types of Single-Walled Carbon Nanotubes (SWCNTs) such as armchair, chiral, and zigzag carbon nanotubes have been investigated considering the effects of surface energy and surface residual stresses. The nanotubes are embedded in the elastic substrate of the Winkler type and are also exposed to low and high-temperature environments. A new refined beam theory namely, one-variable...
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HYGRO-MAGNETIC VIBRATION OF THE SINGLE-WALLED CARBON NANOTUBE WITH NONLINEAR TEMPERATURE DISTRIBUTION BASED ON A MODIFIED BEAM THEORY AND NONLOCAL STRAIN GRADIENT MODEL
PublikacjaIn this study, vibration analysis of single-walled carbon nanotube (SWCNT) has been carried out by using a refined beam theory, namely one variable shear deformation beam theory. This approach has one variable lesser than a contractual shear deformation theory such as first-order shear deformation theory (FSDT) and acts like classical beam approach but with considering shear deformations. The SWCNT has been placed in an axial or...
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A constitutive model for concrete based on continuum theory with non-local softening coupled with eXtended Finite Element Method. Computational Modelling of Concrete Structures,
PublikacjaArtykuł omawia model połączony ciągły-nieciągły do modelowania stref lokalizacji i rys w betonie niezbrojonym. Obliczenia wykonano stosując rozszerzoną metodę elementów skończonych. Wyniki numeryczne porównano z doświadczeniami.
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The energy concept of money
PublikacjaPurpose: This paper aims to provide the literature review seeking an answer whether energy can be used as a universal equivalent instead of money. Methodology: The author conducted a review of available literature and data sources related to the money theory and energy concept of money. Findings: It was found that the definition of energy as a general equivalent has a contextual and dynamic nature, and this field’s consolidation...
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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublikacjaAbstract - We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurface of the electronic density according to the formula of Fattebert and Gygi (J. Comput. Chem., 23 (2002) 662). While this model depends on only two parameters, we demonstrate...
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Ligand-Modified Boron-Doped Diamond Surface: DFT Insights into the Electronic Properties of Biofunctionalization
PublikacjaWith the increasing power of computation systems, theoretical calculations provide a means for quick determination of material properties, laying out a research plan, and lowering material development costs. One of the most common is Density Functional Theory (DFT), which allows us to simulate the structure of chemical molecules or crystals and their interaction. In developing a new generation of biosensors, understanding the nature...
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Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods
PublikacjaThe understanding and interpretation of experimental resonance Raman (RR) spectra can strongly benefit from theoretical simulations. These can be achieved by combining quantum chemistry (QC) methods to calculate the electronic and vibrational molecular properties, together with appropriate models and approximations to compute the Raman intensities. This chapter presents the main and most commonly employed approaches to calculate...
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Thermodynamic study of binary mixtures of 2-propanol with ionic liquids, 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, 1-hexyl-3-methylimidazolium trifluoromethanesulfonate and triethylhexylammonium bis(trifluoromethylsulfonyl)imide
PublikacjaIn this work, densities, speeds of sound, refractive indices and viscosities of three binary mixtures containing the ionic liquids 1-hexyl-3-methylimidazolium bis(trifluoromethyl-sulfonyl)imide, 1-hexyl-3-methylimidazolium trifluoromethanesulfonate and triethylhexyl-ammonium bis(trifluoromethylsulfonyl)imide, mixed with 2-propanol at wide temperature and composition ranges at atmospheric pressure have been measured. From these...
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On a comparison principle and the uniqueness of spectral flow
PublikacjaThe spectral flow is a well-known quantity in spectral theory that measures the variation of spectra about 0 along paths of selfadjoint Fredholm operators. The aim of this work is twofold. Firstly, we consider homotopy invariance properties of the spectral flow and establish a simple formula which comprises its classical homotopy invariance and yields a comparison theorem for the spectral flow under compact perturbations. We apply...
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Electronic States of Tris(bipyridine) Ruthenium(II) Complexes in Neat Solid Films Investigated by Electroabsorption Spectroscopy
PublikacjaWe present the electric field-induced absorption (electroabsorption, EA) spectra of the solid neat films of tris(bipyridine) Ru(II) complexes, which were recently functionalized in our group as photosensitizers in dye-sensitized solar cells, and we compare them with the results obtained for an archetypal [Ru(bpy)3]2+ ion (RBY). We argue that it is difficult to establish a unique set of molecular parameter values by discrete parametrization...
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The interactions of monomeric acridines and unsymmetrical bisacridines (UAs) with DNA duplexes: an insight provided by NMR and MD studies
PublikacjaMembers of a novel class of anticancer compounds, exhibiting high antitumor activity, i.e. the unsymmetrical bisacridines (UAs), consist of two heteroaromatic ring systems. One of the ring systems is an imidazoacridinone moiety, with the skeleton identical to the structural base of Symadex. The second one is a 1-nitroacridine moiety, hence it may be regarded as Nitracrine’s structural basis. These monoacridine units are connected...
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Type III Responses to Transient Inputs in Hybrid Nonlinear Neuron Models
PublikacjaExperimental characterization of neuronal dynamics involves recording both of spontaneous activity patterns and of responses to transient and sustained inputs. While much theoretical attention has been devoted to the spontaneous activity of neurons, less is known about the dynamic mechanisms shaping their responses to transient inputs, although these bear significant physiological relevance. Here, we study responses to transient...
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Paweł Możejko dr hab.
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Leszek Ziemczonek dr
OsobyUniversity education 1973-1978 – Nicolaus Copernicus University in Toruń, University of Gdańsk in Gdańsk, Mathematical Physics, M. Sc. 1979 – Diploma of Postgraduate Studies, Pedagogics 1989 – Institute of Physics, Polish Academy of Sciences in Warsaw, Theoretical Physics, Ph. D. 2010-2012 – Diploma of Postgraduate Studies, Mathematics Training: · 09.1983 – Trieste (Italy) – International Centre for Theoretical Physics...
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Nieliniowa statyka 6-parametrowych powłok sprężysto plastycznych. Efektywne obliczenia MES
PublikacjaGłównym zagadnieniem omawianym w monografii jest sformułowanie sprężysto-plastycznego prawa konstytutywnego w nieliniowej 6-parametrowej teorii powłok. Wyróżnikiem tej teorii jest występujący w niej w naturalny sposób tzw. stopień 6 swobody, czyli owinięcie (drilling rotation). Podstawowe założenie pracy to przyjęcie płaskiego stanu naprężenia uogólnionego na ośrodek typu Cosseratów. Takie podejście stanowi oryginalny aspekt opracowania....
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Fashion Theory: The Journal of Dress, Body & Culture
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Exemplaria: A Journal of Theory in Medieval and Renaissance Studies
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Camera Obscura: A Journal of Feminism and Film Theory
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Parallax: a Journal of Metadiscursive Theory and Cultural Practices
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JP Journal of Algebra Number Theory and Applications
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Financial and Credit Activity-Problems of Theory and Practice
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Electronic Journal of Qualitative Theory of Differential Equations
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Constellations-An International Journal of Critical and Democratic Theory
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Psychological Trauma-Theory Research Practice and Policy
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Text Matters: A Journal of Literature, Theory and Culture
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Historical Materialism - Research in Critical Marxist Theory
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PhaenEx-Journal of Existential and Phenomenological Theory and Culture
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Operational Research in Engineering Sciences: Theory and Applications
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Facta Ficta. Journal of Theory, Narrative & Media
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Sampling Theory, Signal Processing, and Data Analysis
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Theory Now Journal of Literature, Critique and Thought
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International Journal of Combinatorial Graph Theory and Applications
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Advances in the Theory of Nonlinear Analysis and its Applications
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Thermodynamics and Intermolecular Interactions of Nicotinamide in Neat and Binary Solutions: Experimental Measurements and COSMO-RS Concentration Dependent Reactions Investigations
PublikacjaIn this study, the temperature-dependent solubility of nicotinamide (niacin) was measured in six neat solvents and five aqueous-organic binary mixtures (methanol, 1,4-dioxane, acetonitrile, DMSO and DMF). It was discovered that the selected set of organic solvents offer all sorts of solvent effects, including co-solvent, synergistic, and anti-solvent features, enabling flexible tuning of niacin solubility. In addition, differential...
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Interpretation and modeling of emotions in the management of autonomous robots using a control paradigm based on a scheduling variable
PublikacjaThe paper presents a technical introduction to psychological theories of emotions. It highlights a usable ideaimplemented in a number of recently developed computational systems of emotions, and the hypothesis thatemotion can play the role of a scheduling variable in controlling autonomous robots. In the main part ofthis study, we outline our own computational system of emotion – xEmotion – designed as a key structuralelement in...
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No Quantum Realization of Extremal No-Signaling Boxes
PublikacjaThe study of quantum correlations is important for fundamental reasons as well as for quantum communication and information processing tasks. On the one hand, it is of tremendous interest to derive the correlations produced by measurements on separated composite quantum systems from within the set of all correlations obeying the no-signaling principle of relativity, by means of information-theoretic principles. On the other hand,...
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Analysis of compressive forces in CFGFT cylindrical pillars and their coatings using laboratory tests and metric spaces
PublikacjaThe article discusses compressive forces tests in composite-concrete pillars with the use of laboratory active experiment including the factors and properties of materials which have a significant impact on the test results and their repeatability. A polymer composite based on glass fiber reinforced resin with different fiber beam angles (20, 55 and 85) was used as a buffer/coat of the pole. Due to the problems with direct comparison...
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Przepływ wody w ośrodkach nienasyconych o podwójnej porowatości: zastosowanie metody homogenizacji. Unsaturated water flow in double porosity media: application of the homogenization theory
PublikacjaPrzedstawiono model matematyczny przepływu w gruncie o podwójnej porowatości wyprowadzony metodą homogenizacji. Otrzymano równanie makroskopowe z parametrami efektywnymi i członem źródłowym. Przedstawiono wyniki przykładowych obliczeń numerycznych i porównania z modelem znanym z literatury.
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A model of fuel combustion process in the marine reciprocating engine work space taking into account load and wear of crankshaft-piston assembly and the theory of semi-Markov processes
PublikacjaThe ar ticle analyses the operation of reciprocal internal combu stion engines, with mar ine engines u sed a s an example. The analysis takes into account types of energy conversion in the work spaces (cylinders) of these engines, loads of their crankshaft-piston assemblies, and types of fuel combustion which can take place in these spaces during engine operation. It is highlighted that the analysed time-dependent loads of marine...
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The History of the Theory of Structures [Historia teorii konstrukcji] / K.-E. Kurrer. - Berlin : Ernst & Sohn, 2008.- 848 s. :501 rys. - Bibliogr. 1158 poz.
PublikacjaOmówiono angielskojęzyczne dzieło nt. historii teorii konstrukcji jako duże rozszerzenie wcześniejszej jego wersji niemieckojęzycznej. W opinii recenzenta w dziele tym zebrano i uporządkowano obszerny materiał przedmiotu, w dużej mierze - unikatowy.
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Application of the theory of semi-markov processes to the development of a reliability model of an automotiv vrhicle = Zastosowanie teorii procesów semi-Markowa do opracowania modelu niezawodnościowego samochodu
PublikacjaW artykule przedstawiono możliwość zastosowania teorii procesów semi-Markowa (semimarkowskich) do opisu niezawodności samochodu, na przykładzie samochodu osobowego. W rozważaniach uwzględniony został samochód, w którym wyróżniono takie węzły konstrukcyjne (zespoły funkcjonalne) jak: silnik z układami zasilania czynnikami energetycznymi (paliwem, olejem smarowym i cieczą chłodzącą), sprzęgło, skrzynia biegów, wał napędowy, most...
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Vibration and buckling characteristics of nonlocal beam placed in a magnetic field embedded in Winkler–Pasternak elastic foundation using a new refined beam theory: an analytical approach
PublikacjaIn this article, a new refined beam theory, namely one variable first-order shear deformation theory, has been employed to study the vibration and buckling characteristics of nonlocal beam. The beam is exposed to an axial magnetic field and embedded in Winkler–Pasternak foundation. The von Kármán hypothesis along with Hamilton’s principle has been implemented to derive the governing equations for both the vibration and buckling...
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Stability analysis of single-walled carbon nanotubes embedded in winkler foundation placed in a thermal environment considering the surface effect using a new refined beam theory
PublikacjaThis article is devoted to investigate the stability of different types of Single Walled Carbon Nanotubes (SWCNTs) such as zigzag, chiral, and armchair types which are rested in Winkler elastic foundations exposing to both the low and high temperature environments. Also, the Surface effects which include surface energy and surface residual stresses, are taken into consideration in this study. It may be noted that the surface energy...
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Ryszard Woźniak dr inż.
OsobyJest absolwentem Wydziału Mechanicznego i Organizacji Politechniki Lubelskiej, gdzie w 1984 uzyskał tytuł magistra inżyniera mechanika w zakresie Mechaniki specjalności Samochody i Ciągniki. W 2002 roku w Politechnice Gdańskiej obronił pracę doktorską na temat: "Hałas opon w warunkach występowania znacznych sił stycznych w strefie styku opony z jezdnią" i uzyskał stopień naukowy doktora nauk technicznych w zakresie budowy i eksploatacji...