Wyniki wyszukiwania dla: design theory
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Ab initio and density functional theory calculations of proton affinities for volatile organic compounds
PublikacjaThe Hatree-Fock method with 6-311G** split-valence molecular orbitals basis sets and the density function theory-B3LYP have been applied to geometrical optimizations and calculations of total electronic, zero point vibrational energies and proton affinities at 298 K for volatile organic compounds. Calculated values of proton affinities are compared with experimental data.
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Necessity for and possibility of application of the theory of semi-markov processes to determine reliability of diagnising systems
PublikacjaW opracowaniu uzasadniono konieczność określenia niezawodności systemów diagnozujących (SDG) do sformułowania diagnozy o stanie dowolnego urządzenia technicznego jako systemu diagnozowanego (SDN). Wykazano, że znajomość niezawodności SDG umożliwia określenie wiarygodności diagnozy. Przyjęto, że wiarygodność diagnozy może być określona jako właściwość diagnozy określająca stopień rozpoznania przez system diagnozujący (SDG) rzeczywistego...
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Identification of ship’s hull mathematical model with numerical methods
PublikacjaThe modern maritime industry is moving toward the development of technology that will allow for full or partial autonomy of ship operation. This innovation places high demands on ship performance prediction techniques at the design stage. The researchwork presented in the article is related to the design stage of the ship and concerns methods for prognosis and evaluation of the specific operational condition of the ship, namely...
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Reduced-Cost Microwave Design Closure by Multi-Resolution EM Simulations and Knowledge-Based Model Management
PublikacjaParameter adjustment through numerical optimization has become a commonplace of contemporary microwave engineering. Although circuit theory methods are ubiquitous in the development of microwave components, the initial designs obtained with such tools have to be further tuned to improve the system performance. This is particularly pertinent to miniaturized structures, where the cross-coupling effects cannot be adequately accounted...
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Temperature influences on shear stability of a nanosize plate with piezoelectricity effect
PublikacjaPurpose The purpose of this paper is to predict the mechanical behavior of a piezoelectric nanoplate under shear stability by taking electric voltage into account in thermal environment. Design/methodology/approach Simplified first-order shear deformation theory has been used as a displacement field. Modified couple stress theory has been applied for considering small-size effects. An analytical solution has been taken into account...
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Modulation of dielectric properties in low-loss polypropylene-based composites at GHz frequencies: theory and experiment
PublikacjaPolymer composites with high dielectric constant and low loss tangent are highly regarded as substrates for modern high-speed electronics. In this work, we analyze the high-frequency dielectric properties of two types of composites based on polypropylene infused with high-dielectric-constant microparticles. Two types of fillers are used: commercial ceramics or titanium oxide ( TiO2) with different concentrations. The key observation...
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Experimental evidence about misconception of Terzaghi's 1-D consolidation theory in terms of degree of consolidation
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Adsorption of a metalorganic complex at a metal surface: A density functional theory study vs. model description
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Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (−)-α-Santonin by Experiment and Theory
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Buckling analysis of shell structures with stochastic imperfections using six parameter nonlinear shell theory
PublikacjaPrzedstawiono wpływ wstępnych losowych imperfekcji geometrycznych na wartość obciążenia krytycznego powłoki. W obliczeniach zastosowano autorski program MES wykorzystujący 6-cio parametrową nieliniową teorię powłok.
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Assesment of operation of ship main diesel engine using the theory of semi-markovian and markov processes.
PublikacjaTo precisely determine the task it is necessary to specify also its duration time, apart from conditions in which it will be realized. When considering propulsion engine, i.e. the main element of ship propulsion system, especially important becomes not only the problem which amount of energy could be at one's disposal but also within which time interval it could be delivered. Therefore apart from applying the commonly used reliability...
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Application of an extended DLVO theory for the calculation of the interactions between emulsified oil droplets in alcohol solutions
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On the use of enhanced strain formulation in 6-field nonlinear shell theory with asymetric strain measures
PublikacjaW pracy zbadano możliwość zastosowania techniki wzbogaconych odkształceń do usunięcia zjawiska blokady w elementach skończonych opracowanych w ramach 6-parametrowej nieliniowej teorii powłok z niesymetrycznymi miarami odkształceń membranowych. Przedstawiono i porównano 4 warianty pol wzogacających odkształcenia
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Study of passive deck-flaps flutter control system on full bridge model. I: Theory
PublikacjaSformułowano modele matematyczne drgań mostu z zamontowanym pasywnym systemem sterowania flatterem w formalizmie metody elementów skończonych. System wykorzystuje stateczniki dołączone bezpośrednio do przęsła mostu. Siły aerodynamiczne działające bezpośrednio na most i stateczniki sformułowane są w przestrzeni czasu.
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On the theory and numerical simulation of acoustic and heat modes interaction in a liquid with bubbles: acoustic quasi-solitons
PublikacjaTeoria rzutowania zaburzenia ogólnego na mody. Zastosowanie metody do badań układu równań typu Korteweg`a-de Vries`a. Rozwiązania analityczne i simulacje numeryczne.
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Multiple solutions of indefinite elliptic systems via a Galerkin-type Con- ley index theory
PublikacjaW pracy wykazano prawdziwość hipotezy Angenenta i van der Vorsta dotyczącąilości rozwiązań pewnego układu eliptycznego. Liczbę rozwiazań szacuje się zdołu przy pomocy niezmiennika topologicznego zwanego uogólnionym indeksemMorse`a. W dowodzie stosuje sie niezmienniczy index Conleya w przestrzeniachHilberta.
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Analysis of the enthalpies of transfer of Co(II) ion in mixed solvents by means of the theory of preferential solvation.
PublikacjaZa pomocą teorii solwatacji preferencyjnej zanalizowano entalpie przeniesienia jonu Co(II) w kilku mieszaninach wodno-organicznych i organicznych, wyznaczając parametry, które w sposób ilościowy opisują solwatację preferencyjną jonu i jego wpływ na oddziaływania między cząsteczkami rozpuszczalnika. Przeprowadzono porównanie właściwości solwatacyjnych mieszanin. Wyznaczono także średni skład sfery solwatacyjnej jonu w zależności...
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Toward an understanding of occupational burnout among employees with autism – the Job Demands‑Resources theory perspective
PublikacjaThis article aims to gain insight into the phenomenon of occupational burnout among employees with autism based on the theoretical framework of the Job Demands-Resources theory and the literature on employees with autism in the workplace. Firstly, we argue that although the resources and demands of the neurotypical and neurodivergent employees might be different, the theoretical mechanism of occupational burnout formation remains...
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Buckling Analysis of a Micro Composite Plate with Nano Coating Based on the Modified Couple Stress Theory
PublikacjaThe present study investigates the buckling of a thick sandwich plate under the biaxial non-uniform compression using the modified couple stress theory with various boundary conditions. For this purpose, the top and bottom faces are orthotropic graphene sheets and for the central core the isotropic soft materials are investigated. The simplified first order shear deformation theory (S-FSDT) is employed and the governing differential...
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Thermodynamic interpretation and prediction of CO2 solubility in imidazolium ionic liquids based on regular solution theory
PublikacjaRegular solution theory (RST) is the most popular model for the interpretation of the interaction between CO2 and ionic liquids. In the present work, the parameters of this model were determined for the CO2 absorption in eleven imidazolium ionic liquids. The y-intercept (A) of the RST model for the investigated imidazolium liquids increases with increasing temperature whereas the slope (B) remains constant. The values of RST parameters...
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Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory.
PublikacjaTime dependent density functional theory calculations are applied on a series of molecular photocatalysts of the type [(tbbpy)2M1(tpphz)M2X2]2+ (M1 = Ru, Os; M2 = Pd, Pt; X = Cl, I) in order to provide information concerning the photochemistry occurring upon excitation of the compounds in the visible region. To this aim, the energies, oscillator strengths and orbital characters of the singlet and triplet excited states are investigated....
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Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublikacjaThe first ionization energy and associated photoelectron spectrum of ethyl formate are investigated with quantum chemistry calculations. The geometries, harmonic vibrational frequencies and first ionization energy are computed at the Hartree-Fock (HF) and at the second order Moller-Plesset perturbation theory (MP2). Moreover, accurate ionization energies are obtained with the Coupled-Cluster theory including singles and doubles...
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Multi-state multi-reference Møller-Plesset second-order perturbation theory for molecular calculations
PublikacjaThis work presents multi‐state multi‐reference Møller–Plesset second‐order perturbation theory as a variant of multi‐reference perturbation theory to treat electron correlation in molecules. An effective Hamiltonian is constructed from the first‐order wave operator to treat several strongly interacting electronic states simultaneously. The wave operator is obtained by solving the generalized Bloch equation within the first‐order...
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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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Drilling couples and refined constitutive equations in the resultant geometrically non-linear theory of elastic shells
PublikacjaIt is well known that distribution of displacements through the shell thickness is non-linear, in general. We introduce a modified polar decomposition of shell deformation gradient and a vector of deviation from the linear displacement distribution. When strains are assumed to be small, this allows one to propose an explicit definition of the drilling couples which is proportional to tangential components of the deviation vector....
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Laminated plates and shells - first ply failure analysis within 6-parameter shell theory
PublikacjaThis work describes Tsai-Wu and Hashin criteria modifications, dictated by nonlinear 6-parameter shell theory with asymmetric strain measures and drilling rotation. The material law is based on standard orthotropic elastic constants for a non-polar continuum, under plane state of stress. First ply failure loads of cylindrical panel subjected to pressure and flat compressed plate are estimated by means of Finite Element Analysis....
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Workforce mobility against the background of labour market duality theory – the example of selected OECD countries
PublikacjaThe paper aims to present an empirical study of labour market segmentation (LMS) hypothesis. According to the dual labour market theory jobs can be divided into two groups: primary and secondary jobs, with enter barriers into the first one. The primary jobs are usually described with relative high wages, whereas secondary jobs provide lower level of wages. In this paper we first examine the main sectors (according to the ISIC rev....
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On the problem of optimised allocation of water quality sensors and actuators in DWDS
PublikacjaThe problems of water quality sensors and actuators placement in drinking water distribution systems (DWDSs) are addressed as separate, primarily. However, against the background of control systems theory, the nature of DWDSs dynamics indicates that these both problems are interdependent and impact the design of related water quality monitoring and control structures and algorithms. The research work presented in this paper is...
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On FEM analysis of Cosserat-type stiffened shells. Static and stability linear analysis
PublikacjaThe present research investigates the theory and numerical analysis of shells stiffened with beams in the framework based on the geometrically exact theories of shells and beams. Shell’s and beam’s kinematics are described by the Cosserat surface and the Cosserat rod respectively, which are consistent including deformation and strain measures. A FEM approximation of the virtual work principle leads to the conforming shell and beam...
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Robert Piotrowski dr hab. inż.
OsobyRobert Piotrowski jest absolwentem Wydziału Elektrotechniki i Automatyki (2001r., kierunek: Automatyka i Robotyka) oraz Wydziału Zarządzania i Ekonomii (2002r., kierunek: Organizacja Systemów Produkcyjnych) Politechniki Gdańskiej. Od 2005 roku jest zatrudniony na Wydziale Elektrotechniki i Automatyki, aktualnie w Katedrze Inteligentnych Systemów Sterowania i Wspomagania Decyzji. W 2005 roku obronił rozprawę doktorską (Automatyka...
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Jolanta Łopatowska dr inż.
OsobyJolanta Łopatowska, adiunkt w Katedrze Inżynierii Zarządzania i Jakości na Wydziale Zarzadzania i Ekonomii, jest absolwentką Wydziału Elektroniki PG i Instytutu Organizacji i Projektowania Systemów Produkcyjnych PG oraz doktorem w dyscyplinie nauk ekonomicznych. Jej zainteresowania naukowo-badawcze koncentrują się wokół zaawansowanych organizacyjnie i technologicznie systemów produkcyjnych, ze szczególnym uwzględnieniem procesów...
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Sensitivity analysis of free torsional vibration frequencies of thin-walled laminated beams under axial load
PublikacjaThe paper addresses sensitivity analysis of free torsional vibration frequencies of thin-walled beams of bisymmetric open cross-section made of unidirectional fibre-reinforced laminate. The warping effect and the axial end load are taken into account. The consideration is based upon the classical theory of thin-walled beams of non-deformable cross-section. The first-order sensitivity variation of the frequencies is derived with...
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The atlas of inequality aversion: theory and empirical evidence on 55 countries from the Luxembourg Income Study database
PublikacjaResearch background: In the distributive analysis, the constant relative inequality aversion utility function is a standard tool for ethical judgements of income distributions. The sole parameter ε of this function expresses a society’s aversion to inequality. However, the profession has not committed to the range of ε. When assessing inequality and other welfare characteristics, analysts assume an arbitrary level of ε, common...
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TiCoCrFeMn (BCC + C14) High-Entropy Alloy Multiphase Structure Analysis Based on the Theory of Molecular Orbitals
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Data-Centric Dempster-Shafer Theory-Based Selfishness Thwarting via Trust Evaluation in MANETs and WSNs
PublikacjaPrzedstawiono ramy wymiany informacji reputacyjnej pomiędzy terminalami sieci mobilnej ad hoc lub sensorowej, prowadzące do efektywnej lokalizacji terminali egoistycznych i jednocześnie zapobiegające skutkom fałszywych rekomendacji. Integrację miar zaufania i rekomendacji reputacyjnych oparto na teorii Dempstera-Shafera.
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Determination of the thermal conductivity of material dividing the metallic core elements of the bi-calorimeter using modified theory
PublikacjaW pracy przedstawiono zmodyfikowaną teorię bikalorymetru z dzielonym metalowym rdzeniem. Pomiędzy dwiema częściami rdzenia umieszczano próbki badanego ciała stałego lub gazu. Ogrzewano jedną stronę rdzenia. Mierzono temperaturę obu części rdzenia w funkcji czasu. Uzyskane wyniki umożliwiły wyznaczenie różnicy temperatur i strumienia ciepła, przepływającego przez próbkę. Z zastosowaniem prawa Fouriera obliczano współczynnik przewodności...
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Application of the theory of energy transformation systems to fatigue assessment of steel elements under multiaxial periodic loading
PublikacjaPraca dotyczy symulacji odporności zmęczeniowej elementów stalowych poddanych wieloosiowym obciążeniom okresowym w zakresie wysokocyklowym. W tym celu zdefiniowano jednoosiowe naprężenie sinusoidalne, równoważne w sensie trwałości zmęczeniowej materiału naprężeniu aktualnemu gdy każda jego kartezjańska składowa jest dana w postaci szeregu Fouriera. Warunki równoważności wynikają z teorii systemów transformacji energii i wiążą się...
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Bending and buckling formulation of graphene sheets based on nonlocal simple first-order shear deformation theory
PublikacjaThis paper presents a formulation based on simple first-order shear deformation theory (S-FSDT) for large deflection and buckling of orthotropic single-layered graphene sheets (SLGSs). The S-FSDT has many advantages compared to the classical plate theory (CPT) and conventional FSDT such as needless of shear correction factor, containing less number of unknowns than the existing FSDT and strong similarities with the CPT. Governing...
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Analytical predictions for the buckling of a nanoplate subjected to non-uniform compression based on the four-variable plate theory
PublikacjaIn the present study, the buckling analysis of the rectangular nanoplate under biaxial non-uniform compression using the modified couple stress continuum theory with various boundary conditions has been considered. The simplified first order shear deformation theory (S-FSDT) has been employed and the governing differential equations have been obtained using the Hamilton’s principle. An analytical approach has been applied to obtain...
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Application of potential theory in calculating wave-induced vertical forces on horizontal cylinders near a plane boundary
PublikacjaHydrodynamiczne obciażenia wywołane falowaniem morskim działajace na poziomo ułożoną przy dnie rurę, rozpatrywane są w ujęciu dyfrakcyjnym przy założeniu istnienia funkcji potencjału. Potencjał zdefiniowano jako superpozycję potencjału fali inicjującej oraz potencjału perturbacji spowodowanej istnieniem obiektu przy dnie. Wyniki rozwiązań teoretycznych porównano z wynikami doswiadczeń przeprowadzonych w Wielkim Kanale falowym w...
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Theory versus experiment for vacuum Rabi oscillations in lossy cavities. II. Direct test of uniqueness of vacuum
PublikacjaThe paper continues the analysis of vacuum Rabi oscillations we started in part I [Phys. Rev. A 79, 033836 (2009)]. Here we concentrate on experimental consequences for cavity QED of two different classes of representations of harmonic-oscillator Lie algebras. The zero-temperature master equation, derived in part I for irreducible representations of the algebra, is reformulated in a reducible representation that models electromagnetic...
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Markowitz’s portfolio theory – optimal length of estimation window for gold and the biggests companies on the Warsaw Stock Exchange
PublikacjaThe following article is dedicated to the construction of an investment portfolio consisting of 3 investments from the Polish capital market found in the WIG20 index and from investment in gold. The purpose of the study was to determine the optimal length of the estimation window for building a portfolio with minimal risk and maximum efficiency. The length of the estimation window was also assessed in terms of the rate of return...
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Recent Achievements in Constitutive Equations of Laminates and Functionally Graded Structures Formulated in the Resultant Nonlinear Shell Theory
PublikacjaThe development of constitutive equations formulated in the resultant nonlinear shell theory is presented. The specific features of the present shell theory are drilling rotation naturally included in the formulation and asymmetric measures of strains and stress resultants. The special attention in the chapter is given to recent achievements: progressive failure analysis of laminated shells and elastoplastic constitutive relation...
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Two- and three-dimensional elastic networks with rigid junctions: modeling within the theory of micropolar shells and solids
PublikacjaFor two- and three-dimensional elastic structures made of families of flexible elastic fibers undergoing finite deformations, we propose homogenized models within the micropolar elasticity. Here we restrict ourselves to networks with rigid connections between fibers. In other words, we assume that the fibers keep their orthogonality during deformation. Starting from a fiber as the basic structured element modeled by the Cosserat...
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Nonlinear FEM 2D failure onset prediction of composite shells based on 6-parameter shell theory
PublikacjaWithin the framework of the nonlinear 6-parameter shell theory with the drilling rotation and asymmetric stress measures, the modifications of Tsai-Wu and Hashin laminate failure initiation criteria are proposed. These improvements enable to perform first ply failure estimations taking into account the non-symmetric stress measures. In order to check the validity of the proposed criteria, finite element analyses are performed with...
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Equivalent 4-node enhanced assumed strain and hybrid stress shell elements in 6-parameter theory
PublikacjaWe discuss the equivalence of semi-enhanced assumed strain (EAS) and semi-hybrid stress (SEM) shell finite elements. We use the general nonlinear 6-field shell theory with kinematics composed of generalized displacements composed of the translation field and the rotation field. Due to the presence of rotation tensor the elements have naturally six nodal engineering degrees of freedom. We propose interpolation for a strain field...
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Positive Management of Universities: A Model of Motivation to Strive for Scientific Excellence
PublikacjaObjective: The aim of the article is to conceptualise a model of work motivation in the management of universities striving for scientific excellence. Research Design & Methods: The most relevant for our aim is the self-determina tion theory that is applied to the work and organisational domain. We used a nar rative literature review. Findings: The proposed model is derived from the self-determination theory. It includes three...
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Book Review: Vishwas Satgar (ed.), The Solidarity Economy Alternative: Emerging Theory and PracticeSatgarVishwas (ed.), The Solidarity Economy Alternative: Emerging Theory and Practice, University of KwaZulu-Natal Press: Durban, 2014; 332 pp.: ISBN 9781869142575, US$34.44
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Surrogate-assisted EM-driven miniaturization of wideband microwave couplers by means of co-simulation low-fidelity models
PublikacjaThis article proposes a methodology for rapid design optimization of miniaturized wideband couplers. More specifically, a class of circuits is considered, in which conventional transmission lines are replaced by their abbreviated counterparts referred to as slow-wave compact cells. Our focus is on explicit reduction of the structure size as well as on reducing the CPU cost of the design process. For the sake of computational feasibility,...
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Simplified approach to assess the dynamic response of a container ship subjected to bow slamming load
PublikacjaSimplified approach to assess the dynamic response of a container ship subjected to the bow slamming load, resulting in a transient vibratory response, typically called a 'whip-ping', is presented. The accurate numerical modelling is very complex and involves cou-pling of the hydrodynamic and structural solution at every time step, leading to huge com-putational and workload cost. Thus, the one-way coupling methodology is adopted,...
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A Reputation Scheme to Discourage Selfish QoS Manipulation in Two-Hop Wireless Relay Networks
PublikacjaIn wireless networks, stations can improve their received quality of service (QoS) by handling packets of source flows with higher priority. Additionally, in cooperative relay networks, the relays can handle transit flows with lower priority. We use game theory to model a two-hop relay network where each of the two involved stations can commit such selfish QoS manipulation. We design and evaluate a reputation-based incentive scheme...
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Analytical Buckling of FG Nanobeams on The Basis of A New One Variable First-Order Shear Deformation Beam Theory
PublikacjaIn this work, buckling analysis of functionally graded (FG) nanobeams based on a new refined beam theory has been analyzed. The beam is modeled as an elastic beam subjected to unidirectional compressive loads. To achieve this aim, the new obtained beam theory has only one variable which leads to one equation similar to the Euler beam theory and also is free of any shear correction factor. The equilibrium equation has been...
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Density Functional Theory Studies on Ir Spectra of the Triphenylene Derivatives. A Scaled Quantum Mechanical Force Field Approach
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Analytical Buckling of FG Nanobeams on The Basis of A New One Variable First-Order Shear Deformation Beam Theory
PublikacjaIn this work, buckling analysis of functionally graded (FG) nanobeams based on a new refined beam theory has been analyzed. The beam is modeled as an elastic beam subjected to unidirectional compressive loads. To achieve this aim, the new obtained beam theory has only one variable which lead to one equation similar to Euler beam theory and also is free of any shear correction factor. The...
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Nonlocal three-dimensional theory of elasticity for buckling behavior of functionally graded porous nanoplates using volume integrals
PublikacjaIn this paper, the buckling of rectangular functionally graded (FG) porous nanoplates based on threedimensional elasticity is investigated. Since, similar researches have been done in two-dimensional analyses in which only large deflections with constant thickness were studied by using various plate theories; therefore, discussion of large deformations and change in thickness of plates after deflection in this study is examined....
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Dynamic modeling of non-cylindrical curved viscoelastic single-walled carbon nanotubes based on the second gradient theory
PublikacjaThis paper is devoted to the theoretical study of the dynamic response of non-cylindrical curved viscoelastic single-walled carbon nanotubes (SWCNTs). The curved nanotubes are largely used in many engineering applications, but it is challenging in understanding mechanically the dynamic response of these curved SWCNTs when considering the influences of the material viscosity. The viscoelastic damping effect on the dynamic response...
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublikacjaIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Automated Valuation Model based on fuzzy and rough set theory for real estate market with insufficient source data
PublikacjaObjective monitoring of the real estate value is a requirement to maintain balance, increase security and minimize the risk of a crisis in the financial and economic sector of every country. The valuation of real estate is usually considered from two points of view, i.e. individual valuation and mass appraisal. It is commonly believed that Automated Valuation Models (AVM) should be devoted to mass appraisal, which requires a large...
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A new hyperbolic-polynomial higher-order elasticity theory for mechanics of thick FGM beams with imperfection in the material composition
PublikacjaA drawback to the material composition of thick functionally graded materials (FGM) beams is checked out in this research in conjunction with a novel hyperbolic‐polynomial higher‐order elasticity beam theory (HPET). The proposed beam model consists of a novel shape function for the distribution of shear stress deformation in the transverse coordinate. The beam theory also incorporates the stretching effect to present an indirect...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublikacjaWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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Electrostatic interactions in finite systems treated with periodic boundary conditions: Application to linear-scaling density functional theory
PublikacjaWe present a comparison of methods for treating the electrostatic interactions of finite, isolated systems within periodic boundary conditions (PBCs), within density functional theory (DFT), with particular emphasis on linear-scaling (LS) DFT. Often, PBCs are not physically realistic but are an unavoidable consequence of the choice of basis set and the efficacy of using Fourier transforms to compute the Hartree potential. In such...
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Systems of General Grants for Local Governments in Selected EU Countries Against the Background of the General Theory of Fiscal Policy
PublikacjaFiscal policy, including its expenditure aspect, is often discussed and analysed from a variety of angles in the literature on public finances, undoubtedly due to the major importance of this topic. However, not all areas of the expenditure part of fiscal policy have been subjected to in-depth analysis. One of the less discussed tools of fiscal policy consists of general purpose transfers, which are a certain type of expenditure...
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublikacjaIterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using...
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Instructor Presence in Video Lectures: Preliminary Findings From an Online Experiment
PublikacjaMotivation. Despite the widespread use of video lectures in online and blended learning environments, there is still debate whether the presence of an instructor in the video helps or hinders learning. According to social agency theory, seeing the instructor makes learners believe that s/he is personally teaching them, which leads to deeper cognitive processing and, in turn, better learning outcomes. Conversely, according to cognitive...
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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...
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Student competitions as a socio-spatial tool for planning urban structures
PublikacjaThe aim of the article is to show the interdependencies between theory and practice based on the example of the student competitions at the Faculty of Architecture at the Gdańsk University of Technology. These competitions, on the one hand, broaden the spectrum of issues related to design and, on the other hand, contribute to the better recognition of problems related to tasks to be solved. Both the teaching and applicational aspects...
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Mechanism of Li nucleation at graphite anodes and mitigation strategies
PublikacjaLithium metal plating is a critical safety issue in Li-ion cells with graphite anodes, and contributes significantly to ageing, drastically limiting the lifetime and inducing capacity loss. Nonetheless, the nucleation mechanism of metallic Li on graphite anodes is still poorly understood. But in-depth understanding is needed to rationally design mitigation measures. In this work, we conducted FirstPrinciples studies to elucidate...
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Stabalization of solar-panel energy system for Pakistani household
PublikacjaRenewable energy resources such as Sun and wind are getting popular and easier to use day by day. It is a better method to fulfill our demands as sun is a continuous source of energy for Earth. Many countries are fulfilling their demands by Solar Panels. Solar panel is used as a converter between sunlight and electrical energy. This research paper is going to tell that how to obtain electrical energy from sunlight more efficiently...
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Miniaturized Inline Bandpass Filters Based on Triple-Mode Integrated Coaxial-Waveguide Resonators
PublikacjaThis work presents a design technique to implement miniaturized cross-coupled bandpass filters in inline physical configurations based on triple-mode resonators. Triple-mode resonances are obtained by using integrated coaxial-waveguide cavity resonators. They consist of two coaxial conducting posts placed in the sidewalls of a rectangular waveguide cavity. In the proposed triplet, a transmission zero (TZ) can be positioned at any...
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Bending analysis of functionally graded nanoplates based on a higher-order shear deformation theory using dynamic relaxation method
PublikacjaIn this paper, bending analysis of rectangular functionally graded (FG) nanoplates under a uniform transverse load has been considered based on the modified couple stress theory. Using Hamilton’s principle, governing equations are derived based on a higher-order shear deformation theory (HSDT). The set of coupled equations are solved using the dynamic relaxation (DR) method combined with finite difference (FD) discretization technique...
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Modelling of in-plane wave propagation in a plate using spectral element method and Kane–Mindlin theory with application to damage detection
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Finite elements based on a first-order shear deformation moderate rotation shell theory with applications to the analysis of composite structures
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Ilościowy opis zagadnień inzynierii środowiska - teoria i praktyka = Quantitative description of environental engineering probles- theory and practice
PublikacjaOmówiono funkcjonalna strukturę metod obliczeniowych, stosowanych w inzynierii środowiska, w szczególności podczas projektowania obiektów technicznych. Zwrócono uwagę na charakterystykę kryteriów projektowych. Przedstawiono trzy przykłady problemów praktycznych, wskazując na błędy, popełnione podczas ich rozwiązywania.
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Fatigue life prediction of notched components under size effect using strain energy reformulated critical distance theory
PublikacjaNotch and size effects show significant impact on the fatigue performance of engineering components, which deserves special attention. In this work, a strain energy reformulated critical distance theory was developed for fatigue life prediction of notched components under size effect. Experimental data of different notched specimens manufactured from GH4169, TC4, TC11 alloys and low carbon steel En3B were used for model validation...
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Multiple reference frame theory in the synchronous generator model considering harmonic distortions caused by nonuniform pole shoe saturation
PublikacjaThe paper describes a synchronous generator model developed based on the multiple reference frame theory. The main physical phenomena included in the model are the machine armature non-sinusoidal voltage waveform and the influence of armature current in load conditions on the armature voltage waveform higher harmonic components. The modified multiple reference frame theory model is proposed. In this modified theory model the field...
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Application of theory of semi-Markov processes to determining distribution of probabilistic process of marine accidents resulting from colission of ships
PublikacjaIn this paper is presented possible application of the theory of semi-Markov processes to elaborating an eight-state model of the process of occurrence of serviceability state and unserviceability states of sea-going ships making critical manoeuvres during their entering and leaving the ports. In the analysis it was taken into account that sea-going ships are in service for a very long time t (t → ∞). The model was elaborated 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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Geometrically nonlinear FEM analysis of 6-parameter resultant shell theory based on 2-D Cosserat constitutive model
PublikacjaWe develop the elastic constitutive law for the resultant statically and kinematically exact, nonlinear, 6-parameter shell theory. The Cosserat plane stress equations are integrated through-the- thickness under assumption of the Reissner-Mindlin kinematics. The resulting constitutive equations for stress resultant and couple resultants are expressed in terms of two micropolar constants: the micropolar modulus Gc and the micropolar...
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Modelling of in-plane wave propagation in a plate using spectral element method and Kane-Mindlin theory with application to damage detection
PublikacjaThis paper presents results of experimental and numerical analyses of in-plane waves propagatingin a 5 mm-thick steel plate in the frequency range of 120-300 kHz. For such a thickness/frequency ratio,extensional waves reveal dispersive character. To model in-plane wave propagation taking into account thethickness-stretch effect, a novel 2D spectral element, based on the Kane-Mindlin theory, was formulated. Anapplication of in-plane...
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Dynamic analysis of the impact of the wind spectrum according to the theory of Davenport for lightweight structures of the roof in sports hall Czyzyna in Cracow.
PublikacjaThe main aim of this analysis is to characterize numerical simulations connected with modeling dynamic influence of wind on the lightweight structures of the roof in sports hall – “Czyżyna”. This hall is built in Cracow. The article also involves the proposals of the solutions connected with dynamic influence of the wind – Davenport’s method has been used. These proposals have not been taken into consideration at the detailed engineering...
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Geometrically nonlinear FEM analysis of FGM shells based on neutral physical surface approach in 6-parameter shell theory
PublikacjaThe paper presents the formulation of the elastic constitutive law for functionally graded materials (FGM) on the grounds of nonlinear 6-parameter shell theory with the 6th parameter being the drilling degree of freedom. The material law is derived by through-the-thickness integration of the Cosserat plane stress equations. The constitutive equations are formulated with respect to the neutral physical surface. The influence of...
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Wiktoria Wojnicz dr hab. inż.
OsobyDSc in Mechanics (in the field of Biomechanics) - Lodz Univeristy of Technology, 2019 PhD in Mechanics (in the field of Biomechanics) - Lodz Univeristy of Technology, 2009 (with distinction) Publikacje z listy MNiSW (2009 - ) Wojnicz W., Wittbrodt E., Analysis of muscles' behaviour. Part I. The computational model of muscle. Acta of Bioengineering and Biomechanics, Vol. 11, No.4, 2009, p. 15-21 Wojnicz W., Wittbrodt E., Analysis...
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ANALIZA AERODYNAMICZNA ŁOPAT NA PRZYKŁADZIE PROJEKTU DWUWIRNIKOWEJ TURBINY WIATROWEJ MAŁEJ MOCY
PublikacjaW artykule przedstawiono proces projektowania oraz analizy aerodynamicznej łopat turbiny wiatrowej z wykorzystaniem metody BEMT (ang. Blade Element Momentum Theory). Dokonano doboru profili aerodynamicznych oraz opisano procedurę wyznaczania optymalnego rozkładu kątów zwichrowania i długości cięciw profili w funkcji długości łopaty dla założonych parametrów wejściowych. Dokonano obliczenia działających sił oraz generowanej mocy...
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Financial impact analysis of going public at the Warsaw Stock Exchange: Using Fuzzy Set Theory to understand behaviours of mature companies
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Kα1,2x-ray linewidths, asymmetry indices, and[KM]shake probabilities in elements Ca to Ge and comparison with theory for Ca, Ti, and Ge
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Influence of Protonation State on the Excited State Dynamics of a Photobiologically Active Ru(II) Dyad
PublikacjaThe influence of ligand protonation on the photophysics of a ruthenium (Ru) dyad bearing the 2-(1-pyrenyl)-1H-imidazo[4,5-f][1,10]-phenanthroline (ippy) ligand was investigated by time-resolved transient absorption spectroscopy. It was found that changes in the protonation state of the imidazole group led to changes in the electronic configuration of the lowest lying excited state. Formation of the fully deprotonated imidazole...
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Compact Quasi-Elliptic-Type Inline Waveguide Bandpass Filters With Nonlinear Frequency-Variant Couplings
PublikacjaThis work presents the design techniques to synthesize a class of compact inline quasi-elliptic-type waveguide cavity bandpass filters based on novel nonlinear frequency-variant couplings (NFVCs). These highly dispersive frequency-variant couplings (FVCs) are realized by means of a pair of partial-height posts that are placed at the junctions between every two cavity resonators. Each NFVC produces a transmission pole in between...
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Wino – uzupełnienie czy dominujący składnik portfela inwestycyjnego o minimalnym ryzyku
PublikacjaCel – Określenie struktury portfela inwestycyjnego o minimalnym ryzyku, składającego się z inwestycji na rynku win oraz z inwestycji w akcje spółek notowanych na wybranych giełdach Europy Środkowo-Wschodniej. Metodologia badania – Konstrukcja portfeli inwestycyjnych zgodnie z teorią zaproponowaną przez H.M. Markowitza, poparta badaniami literaturowymi odnoszącymi się do zagadnienia ekonomii wi-na. Wynik – Inwestycja w wino może...
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Jerzy Konorski dr hab. inż.
OsobyJerzy Konorski otrzymał tytuł mgr inż. telekomunikacji na Poitechnice Gdańskiej, zaś stopień doktora n.t. w dyscyplinie informatyka w Instytucie Podstaw Informatyki PAN. W r. 2007 obronił rozprawę habilitacyjną na Wydziale Elektroniki, Telekomnikacji i Informatyki PG. Jest autorem ponad 150 publikacji naukowych, prowadził projekty naukowo-badawcze finansowane ze środków Komitetu Badań Naukowych, UE, US Air Force Office of Scientific...
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Bandwidth-Controllable Third-Order Band Pass Filter Using Substrate Integrated Full- and Semi-Circular Cavities
PublikacjaThe article presents a novel circular substrate integrated waveguide (SIW) bandpass filter (BPF) with controllable bandwidth. The proposed BPF is configured using two microstrip feedlines, semi- circular SIW cavities, capacitive slots, and inductive vias. The circular cavity is bisected into two halves, with the two copies thereof being cascaded. Two bisected and cascaded structures obtained this way are subsequently connected...
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Can social enterprise contribute to creating sustainable rural communities? Using the lens of structuration theory to analyse the emergence of rural social enterprise
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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
PublikacjaHydrogen 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
PublikacjaIn 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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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublikacjaWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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The lemniscate knowledge flow model
PublikacjaKnowledge is seen as one of the main resources for organizations providing knowledge-intensive services. Therefore, sharing and reusing are the main goals of modern knowledge management (KM) approach, driven by information and communication technologies (ICT). However, one can ask for the details in order to provide means and tools to design and deploy environment able to fulfil these two goals. We observed that occurred interactions...
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Bio and slide biobearings, their lubrication by non-newtonian fluids and application in non-conventional systems. Vol. 2, The theory of human joint unsteady lubrication.
PublikacjaW monografii przedstawiono zasady niestacjonarnego smarowania stawów człowieka o odkształcalnych chrząstkach i powierzchniach kostnych w polach indukcji magnetycznej. W opisie stochastycznym uwzględnione zostały nienewtonowskie, lepkosprężyste właściwości cieczy synowialnych jako czynnika smarującego. Monografia prezentuje rozkłady wartości ciśnienia i nośności stawów człowieka w warunkach niestacjonarnego smarowania dla drgań...
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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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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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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 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.