Search results for: systems theory
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Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation
PublicationHydrogen production from methanol decomposition to syngas (H2 + CO) is a promising alternative route for clean energy transition. One major challenge is related to the quest for stable, cost-effective, and selective catalysts operating below 400 °C. We illustrate an investigation of the surface reactivity of a Ni3Sn4 catalyst working at 250 °C, by combining density functional theory, operando X-ray absorption spectroscopy, and high-resolution...
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Differential Quadrature Method for Dynamic Buckling of Graphene Sheet Coupled by a Viscoelastic Medium Using Neperian Frequency Based on Nonlocal Elasticity Theory
PublicationIn the present study, the dynamic buckling of the graphene sheet coupled by a viscoelastic matrix was studied. In light of the simplicity of Eringen's non-local continuum theory to considering the nanoscale influences, this theory was employed. Equations of motion and boundary conditions were obtained using Mindlin plate theory by taking nonlinear strains of von Kármán and Hamilton's principle into account. On the other hand, a...
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Piotr Bartłomiejczyk dr hab.
PeopleW roku 2014 zostałem zatrudniony w Katedrze Równań Różniczkowych i Zastosowań Matematyki na Wydziale Fizyki Technicznej i Matematyki Stosowanej Politechniki Gdańskiej. Zajmuję się badaniem niezmienników występujących w analizie nieliniowej. W roku 2000 uzyskałem stopień naukowy doktora w zakresie nauk matematycznych w Instytucie Matematycznym Polskiej Akademii Nauk w Warszawie. Uchwałą Rady Wydziału Matematyki, Fizyki i Informatyki...
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Deep Learning
PublicationDeep learning (DL) is a rising star of machine learning (ML) and artificial intelligence (AI) domains. Until 2006, many researchers had attempted to build deep neural networks (DNN), but most of them failed. In 2006, it was proven that deep neural networks are one of the most crucial inventions for the 21st century. Nowadays, DNN are being used as a key technology for many different domains: self-driven vehicles, smart cities,...
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Deep Learning: A Case Study for Image Recognition Using Transfer Learning
PublicationDeep learning (DL) is a rising star of machine learning (ML) and artificial intelligence (AI) domains. Until 2006, many researchers had attempted to build deep neural networks (DNN), but most of them failed. In 2006, it was proven that deep neural networks are one of the most crucial inventions for the 21st century. Nowadays, DNN are being used as a key technology for many different domains: self-driven vehicles, smart cities,...
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ADAPTIVE BACKSTEPPING TRACKING CONTROL FOR OVER-ACTUATED DP MARINE VESSEL WITH INERTIA UNCERTAINTIES
PublicationDesigning a tracking control system for an over-actuated dynamic positioning marine vessel in the case of insufficient information on environmental disturbances, hydrodynamic damping, Coriolis forces and vessel inertia characteristics is considered. The designed adaptive MIMO backstepping control law with control allocation is based on Lyapunov control theory for cascaded systems to guarantee stabilization of the marine vessel...
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Extended micropolar approach within the framework of 3M theories and variations thereof
PublicationAs part of his groundbreaking work on generalized continuum mechanics, Eringen proposed what he called 3M theories, namely the concept of micromorphic, microstretch, and micropolar materials modeling. The micromorphic approach provides the most general framework for a continuum with translational and (internal) rotational degrees of freedom (DOF), whilst the rotational DOFs of micromorphic and micropolar continua are subjected...
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Modeling the Customer’s Contextual Expectations Based on Latent Semantic Analysis Algorithms
PublicationNowadays, in the age of Internet, access to open data detects the huge possibilities for information retrieval. More and more often we hear about the concept of open data which is unrestricted access, in addition to reuse and analysis by external institutions, organizations and people. It’s such information that can be freely processed, add another data (so-called remix) and then published. More and more data are available in text...
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Adsorption onto zeolites: molecular perspective
Publication2D 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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Computational Study of Molecular Interactions in ZnCl2(urea)2 Crystals as Precursors for Deep Eutectic Solvents
PublicationDeep 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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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublicationDensity 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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The energy concept of money
PublicationPurpose: 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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Effects of Surface Energy and Surface Residual Stresses on Vibro-Thermal Analysis of Chiral, Zigzag, and Armchair Types of SWCNTs Using Refined Beam Theory
PublicationIn 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
PublicationIn 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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Spectroscopic and cytotoxic characteristics of (p-cymene)Ru(II) complexes with bidentate coumarins and density functional theory comparison with selected Pd(II) complexes
PublicationThis 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
PublicationPurpose – 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
PublicationIn 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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A constitutive model for concrete based on continuum theory with non-local softening coupled with eXtended Finite Element Method. Computational Modelling of Concrete Structures,
PublicationArtykuł 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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On a comparison principle and the uniqueness of spectral flow
PublicationThe 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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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
PublicationIn 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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Ligand-Modified Boron-Doped Diamond Surface: DFT Insights into the Electronic Properties of Biofunctionalization
PublicationWith 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
PublicationThe 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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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublicationAbstract - 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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Electronic States of Tris(bipyridine) Ruthenium(II) Complexes in Neat Solid Films Investigated by Electroabsorption Spectroscopy
PublicationWe 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
PublicationMembers 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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Leszek Ziemczonek dr
PeopleUniversity 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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Type III Responses to Transient Inputs in Hybrid Nonlinear Neuron Models
PublicationExperimental 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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Nieliniowa statyka 6-parametrowych powłok sprężysto plastycznych. Efektywne obliczenia MES
PublicationGłównym 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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Paweł Możejko dr hab.
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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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Interpretation and modeling of emotions in the management of autonomous robots using a control paradigm based on a scheduling variable
PublicationThe 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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Thermodynamics and Intermolecular Interactions of Nicotinamide in Neat and Binary Solutions: Experimental Measurements and COSMO-RS Concentration Dependent Reactions Investigations
PublicationIn 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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Ryszard Woźniak dr inż.
PeopleRyszard Woźniak received his M.Sc. (1984) from the Lublin University of Technology specializing in Cars and Tractors. In 2002, at the Gdansk University of Technology he defended his doctoral thesis on: "Tyre/road noise when large longitudinal forces are applied in tyre/road contact patch" and obtained a doctorate degree in technical sciences in the field of construction and operation of machines. Currently he is an adjunct at the...