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Search results for: computational grounded theory
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[NF] Physical Research Methods I: Computational methods for transport phenomena
e-Learning Courses{mlang pl} Dyscyplina: NF Zajęcia obowiązkowe dla doktorantów I i II roku Prowadzący: Prof. Maurizio Dapor Liczba godzin: 15 Forma zajęć: wykład/seminarium {mlang} {mlang en} Discipline: NF Obligatory course for 1st and 2nd-year PhD students Academic teacher: Prof. Maurizio Dapor Total hours of training: 15 teaching hours Course type: lecture/seminar {mlang}
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Computational Simulation of the Effects of Different Culture Types and Leader Qualities on Mistake Handling and Organisational Learning
PublicationThis chapter investigates computationally the following research hypotheses: (1) Higher flexibility and discretion in organisational culture results in better mistake management and thus better organisational learning, (2) Effective organisational learning requires a transformational leader to have both high social and formal status and consistency, and (3) Company culture and leader’s behavior must align for the best learning...
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Computational Fluid Dynamics Simulation of Gas–Liquid Multiphase Flow in T-junction for CO2 Separation
PublicationThe article presents the results of a computational fluid dynamics (CFD) analysis of gas-liquid multiphase flow. The simulation was conducted using CFD code and the Euler–Euler approach. The presented study relates to the non–reactive, steady-state, turbulent flow of water and carbon dioxide mixture in a 3D pipe. Separation phenomenon between phases is observed. The solution was obtained using a mixture model. Different values...
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Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublicationThe 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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Analytical Buckling of FG Nanobeams on The Basis of A New One Variable First-Order Shear Deformation Beam Theory
PublicationIn 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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Recent development in rigorous computational methods in dynamical systems
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A new integrated curriculum for computational methods in mechanics and design
PublicationPrzedstawiono program nowej specjalności na studiach inżynierskich: metody numeryczne w mechanice i projektowaniu, prowadzonej w języku angielskim.
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Computational method for determining the static stiffness of the saw blade
PublicationW artykule opisano sposób modelowania i obliczeń odkształceń i naprężeń pił tarczowych o złożonej geometrii korpusu z wykorzystaniem komputerowych programów wspomagających projektowania.
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Stirling engines - the state of technology development and computational models
PublicationStirling engines represent a technologically important solution in combined heat and power systems. Their use enables the achievement of over 90 percent efficiency in the management of the primary energy source with a very high durability of the device, mainly due to the lack of contact of the working gas with external factors and a very small number of mechanical components. The use of a Stirling engine may be equally important...
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Analytical Buckling of FG Nanobeams on The Basis of A New One Variable First-Order Shear Deformation Beam Theory
PublicationIn 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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The role of Herzberg-Teller effects on the resonance Raman spectrum of trans-porphycene investigated by time dependent density functional theory.
PublicationThe 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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Ab initio and density functional theory calculations of proton affinities for volatile organic compounds
PublicationThe 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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Estimation of Failure Initiation in Laminated Composites by means of Nonlinear Six-Field Shell Theory and FEM
PublicationThe 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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Dempster-shafer theory-based trust and selfishness evaluation in mobile ad hoc networks
PublicationThe paper addresses the problem of selfishness detec-tion in mobile ad hoc networks. It describes an approach based on Dempster-Shafer theory of evidence. Special attention is paid to trust evaluation and using it as a metric for coping with (weighted) recommendations from third-party nodes. Efficiency and robustness of the pre-sented solution is discussed with an emphasis on resil-iency to false recommendations.
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublicationIterative 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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Zjawisko przesłuchu w wieloprzewodowych prowadnicach koplanarnych
PublicationCelem pracy jest analiza zjawiska przesłuchu na bliskim i dalekim końcu sprzężonych linii koplanarnych (ang. Coupled Coplanar Waveguides C-CPW) i sprzężonych linii koplanarnych z centralnie umieszczonym uziemionym paskiem (ang. Coupled Coplanar Waveguides with central Grounded Strip C-CPWGS) o skończonej długości przy pobudzeniu falą prostokątną. Wymagało to stworzenia modeli numerycznych rozpatrywanych prowadnic i poddania ich...
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Note on universal algoritms for learning theory
PublicationW 2001 Cucker i Smale zaproponowali nowe podejście do teorii uczenia się w oparciu o problematykę teorii aproksymacji.W 2005 i 2007 Bivev, Cohen, Dahmen, DeVore i Temlyakov opublikowali dwie prace z teorii uczenia się. W omawianej publikacji uogólniliśmy ich rezultaty jednocześnie upraszczając dowody.
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Selected aspects of system design theory.
PublicationPrzedstawiono wybrane zagadnienia z teorii projektowania systemów. Szczgólną uwagę zwrócono na problemy występujące w systemach o dużej złożoności, które charakteryzują się skomplikowaną funkcją globalną, jak również dużą ilością elementów należących do takich systemów. Omówiono także niektóre cechy elementów wynikające z różnych procesów wytwarzania oraz ich wpływ na funkcję, strukturę i eksploatację systemu, powstałego ze skojarzenia...
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On dynamically and kinematically exact theory of shells
PublicationW rozważanej dynamicznie i kinematycznie ścisłej teorii powłok, powłokę reprezentuje materialna powierzchnia podstawowa wyposażona w tzw. tensor struktury. Nieograniczoną deformację włókien materialnych przekroju poprzecznego powłoki opisuje wektor przesunięć powierzchni podstawowej i tensor obrotów, wyrażający energetycznie uśrednioną po grubości rotację przekroju. Dyskutowane są relacje między trójwymiarowymi polami w ciele typu...
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Selected aspects of system design theory.
PublicationPrzedstawiono wybrane fragmenty z teorii i techniki projektowania złożonych systemów technicznych. Zwrócono szczególną uwagę na tworzenie schematów strukturalnych i funkcjonalnych systemów, a także występujących tam relacji między elementami takiego systemu. Opisano kolejne kroki postępowania dla doboru cech elementów systemu wg macierzy ich przewidywanych właściwości oraz przykłady podziału dla istniejących składników systemów...
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Engineering theory and practice: wisdom of thinking
PublicationOmówiono wzajemny związek teorii i praktyki w rozwijaniu zawodowych umiejętności inżynierów. Teorię rozumie się tu jako zdolność do kreatywnego myślenia - źródła wszelkiej działalności człowieka. Dlatego należy kłaść nacisk na wysoki poziom kształcenia ogólnego w szkole średniej i na samej uczelni aby w wyniku otrzymać intelektualnie dojrzałych inżynierów-humanistów
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Regenarative tourism – between theory and practice
PublicationPurpose: The aim of this article is to present a shift in thinking in terms of implementing the systems and practices needed to transition to a regenerative approach in tourism. The article aims to provide concrete ways to change thinking and move towards a regenerative paradigm in the tourism industry. Design/methodology/approach: This viewpoint paper defines regenerative tourism and explores its principles and the possibilities...
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Theory and application of Near-infrared spectroscopy
PublicationIn recent years one can observe a significant increase in the requirements on quality control in all industrial sectors. The growing number of involved analyses makes the traditional, time consuming, requiring use of large quantities of reagents, thus expansive methods inconvenient especially for industrial applications. Fortunately, there is a very fast, cheap and not invasive analytical method that is increasingly used in qualitative...
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Green analytical chemistry : theory and practice
PublicationThis tutorial review summarises the current state of green analytical chemistry with special emphasis on environmentally friendly sample preparation techniques. Green analytical chemistry is a part of the sustainable development concept; its history and origins are described. Miniaturisation of analytical devices and shortening the time elapsing between performing analysis and obtaining reliable analytical results are important...
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Computational Economics
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COMPUTATIONAL STATISTICS
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Computational Linguistics
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COMPUTATIONAL COMPLEXITY
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Computational Toxicology
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Mixed 4-node shell element with assumed strain and stress in 6-parameter theory
PublicationWe propose a mixed hybrid 4-node shell elements based on Hu-Washizu principle. Apart from displacements both strains and stress fields are treated as independent fields. The element is derived in the framework of a general nonlinear 6-field shell theory with drilling rotation which is dedicated to the analysis of multifold irregular shells with intersections. The novelty of the presented results stems from the fact that the measures...
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Mixed 4-node shell element with assumed strain and stress in 6-parameter theory
PublicationWe propose a mixed hybrid 4-node shell elements based on Hu-Washizu principle. Apart from displacements both strains and stress fields are treated as independent fields. The element is derived in the framework of a general nonlinear 6-field shell theory with drilling rotation which is dedicated to the analysis of multifold irregular shells with intersections. The novelty of the presented results stems from the fact that the measures...
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Combining Computational Fluid Dynamics with a Biokinetic Model for Predicting Ammonia and Phosphate Behavior in Aeration Tanks
PublicationThe aim of this study was to use computational fluid dynamics for predicting the behavior of reactive pollutants (ammonia and phosphate) in the aerobic zone of the bioreactor located at the Wschod wastewater treatment plant in Gdansk, Poland. The one-dimensional advection-dispersion equation was combined with simple biokinetic models incorporating the Monod-type expressions as source terms for the two pollutants. The problem was...
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Structural and Temporal Topic Models of Feedbacks on Service Quality – A Path to Theory Development?
PublicationThere is growing interest in applying computational methods in analysing large amount of data without sacrificing rigour in Information Systems research. In this paper, we demonstrate how the use of structural and temporal topic modelling can be employed to produce insights of both theoretical and practical importance from the analysis of textual comments on the quality of services in hospitals. As a first step, we revealed the...
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A breath of fresh air - social cognitive career theory in studying entrepreneurial intentions
PublicationA pinch of robustness and a pinch of freshness create an interesting story. That is why this study focuses on entrepreneurial intentions from an alternative theoretical perspective in an underexplored context. In this paper, it is argued that social cognitive career theory is relevant to the study of individual entrepreneurial cognition and behaviour, and it offers a solid framework in entrepreneurship research. This paper expands...
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A COMPUTATIONAL ALGORITHM FOR THE NUMERICAL SOLUTION OF NONLINEAR FRACTIONAL INTEGRAL EQUATIONS
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The crucial contemporary problems of the computational methods for ship propulsor hydrodynamics
PublicationPraca przedstawia krytyczny przegląd współczesnych metod obliczeniowych stosowanych do projektowania i analizy pracy pędników okretowych. Omówiono modele linii nośnej i powierzchni nośnej, a także metody elementów brzegowych i metody RANSE oraz LES. Przedstawiono przykładowe wyniki obliczeń oraz oceniono i porównano dokładność opisywanych metod.
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Computational modelling of concrete behaviour under static and dynamic conditions
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Essentials and merits of the method of analytical regularization in computational optics and photonics
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Computational studies of intermolecular interactions in aqueous solutions of poly(vinylmethylether)
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A computational view on nanomaterial intrinsic and extrinsic features for nanosafety and sustainability
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Numerical Analysis of Flow in Building Arrangement: Computational Domain Discretization
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Computational Techniques in Numerical Simulations of Arc and Laser Welding Processes
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AI-Based Computational Model in Sustainable Transformation of Energy Markets
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Computational studies of friction forces for hard tissue cultivation in bioreactor.
PublicationPonieważ wymiana naturalego stawu na endoprotezę może być dokonywana 2-3 razy w życiu, problem leczenia przez transplantację tkanek chrzęstnych nabiera dużego znaczenia. Przeszczepów tkanki można dokonywać z sukcesem wiele razy. W bioreaktorach, środowisko hydrodynamiczne kształtuje hodowlę tkanek in vitro w obecności sił tarcia, poprzez bezpośrednie działanie na morfologię komórek a także poprzez pośrednie działanie na tkankę...
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Analysis of muscles behaviour : The computational model of muscle. -Part I
PublicationW artykule zaproponowano model obliczeniowy mięśnia szkieletowego, który potraktowano jako strukturę o złożonych i zróżnicowanych właściwościach mechanicznych. Szczegółowo opisano metodę identyfikacji tych właściwości. Ponadto określono sposób przeprowadzenia weryfikacji ilościowej i jakościowej zaproponowanego modelu. Za pomocą takiego obliczeniowego modelu mięśnia można łatwo określać siły w mięśniach, które należą do zespołu...
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A literature review on computational models for laminated composite and sandwich panels
PublicationW artykule przedstawiono przegląd modeli obliczeniowych stosowanych w analizie laminowanych powłok kompozytowych i sandwiczowych. W przeglądzie uwzględniono ponad 200 pozycji literatury traktujących o modelach teoretycznych dla płyt i powłok wielo-warstowych oraz/lub o implementacjach numerycznych różnych modeli obliczeniowych. Jako podstawową konkluzję z dokonanego przeglądu, należy uznać, że nie istnieje jeden uniwersalny model...
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Computational Approaches to Modeling Artificial Emotion – An Overview of the Proposed Solutions
PublicationCybernetic approach to modeling artificial emotion through the use of different theories of psychology is considered in this paper, presenting a review of twelve proposed solutions: ActAffAct, FLAME, EMA, ParleE, FearNot!, FAtiMA, WASABI, Cathexis, KARO, MAMID, FCM, and xEmotion. The main motivation for this study is founded on the hypothesis that emotions can play a definite utility role of scheduling variables in the construction...
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Reduced order models in computational electromagnetics (in memory of Ruediger Vahldieck)
PublicationThis paper reviews research of Ruediger Vahldieck's group and the group at the Gdansk University of Technology in the area of model order reduction techniques for accelerating full-wave simulations. The applications of reduced order models to filter design as well as of local and nested(multilevel) macromodels for solving 3D wave equations and wave-guiding problems using finite difference and finite element methods are discussed.
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An IoT-Based Computational Framework for Healthcare Monitoring in Mobile Environments
PublicationThe new Internet of Things paradigm allows for small devices with sensing, processing and communication capabilities to be designed, which enable the development of sensors, embedded devices and other ‘things’ ready to understand the environment. In this paper, a distributed framework based on the internet of things paradigm is proposed for monitoring human biomedical signals in activities involving physical exertion. The main...
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Computational Methods for Liver Vessel Segmentation in Medical Imaging: A Review
PublicationThe segmentation of liver blood vessels is of major importance as it is essential for formulating diagnoses, planning and delivering treatments, as well as evaluating the results of clinical procedures. Different imaging techniques are available for application in clinical practice, so the segmentation methods should take into account the characteristics of the imaging technique. Based on the literature, this review paper presents...