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Search results for: COMPUTATIONAL TEXT MODELLING
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Modelling Of Commercial Websites. A New Perspective On Usability And Customer Relation
PublicationFrom an economic point of view, a critical aspect of online services is their ability to retain customers. The aim of presented study was the use of a layered model VIPR (Visual - Interaction - Process - Relation ) for commercial services online. The indicator of trust and establishing lasting relationships were assessment achieved from experienced users of commercial online services (n = 207), obtained by means of Web Credibility...
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Molecular modelling of amphotericin B-ergosterol primary complex in water
PublicationBadano właściwości pierwotnego kompleksu amfoterycyny B z ergosterolem przy pomocy symulacji dynamiki molekularnej. Otrzymane w wyniku naszych symulacji rezultaty słabo odpowiadają postulowanym przez innych autorów modelom kompleksu antybiotyk-sterol. Z drugiej strony uzyskane geometrie nie są sprzeczne z wynikami eksperymentów biofizycznych dotyczących powstawania kompleksów w wodzie i w środowisku wodno-alkoholowym.
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Molecular modelling of membrane sterols with the use of the GROMOS 96 forcefield
PublicationPodstawowym zadaniem tego projektu było udowodnienie zasadności stosowania pola siłowego GROMOS 96 do symulacji steroli błonowych metodą dynamiki molekularnej. Uzyskane wyniki jasno wskazują, że to pole siłowe bardzo dobrze nadaje się do symulacji silnie lipofilowych układów.
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WAVE AND CURRENT MODELLING OVER THE BALTIC SEA AND THE GDAŃSK BAY
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Numerical modelling of thermodynamics and dynamics of sea ice in the Baltic Sea
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Modelling and static analysis of thin-walled structures, problems and applications
PublicationW pracy przedstawiono pewne problemy związane z modelowaniem i analizą statyczną konstrukcji cienkościennych: belek, ram i rusztów zbudowanych z elementów o bisymetrycznym przekroju poprzecznym. Zachowanie elementów opisano za pomocą klasycznej teorii prętów cienkościennych o przekroju nieodkształcalnym. Uwzględniono tym samym efekty bimomentowe od skręcania belek. Niestyty brakuje koniecznych do przeprowadzenia analizy styacznej...
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Modelling of energy flow in mechatronic systems. A bond graph approach
PublicationW referacie przedstawiono w sposób jednoliy modelowanie systemów mechatroniki metodą grafów wiązań (GW) w aspekcie symulacji przepływu energii. Omówiono ogólne założenia modelowania w ujęciu GW. Modelowanie przepływu energii rozważano na przykładzie napędu pojazdu hybrydowego PH-MAK.
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Neural network modelling of the influence of channelopathies on reflex visual attention
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On the tolerance modelling of heat conduction in functionally graded laminated media
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A Typology of Small Business Growth Modelling: A Critical Literature Review
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Quantum chemical modelling of the process of lithium insertion into WO3 films
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Mechanical Modelling of Human Fascia in the Problem of Ventral Hernia Repair
PublicationPraca dotyczy badań doświadczalnych tkanki ludzkiej oraz symulacji numerycznej zachowania tej tkanki. Na podstawie eksperymentu dokonuje się identyfikacji modelu materiałowego tkanki a następnie w celu wweryfikacji przeprowadza się symulacje numeryczną zachowania modelowanej struktury. Celem badań jest uzyskanie informacji przydatnych podczas leczenia przepuklin brzusznych u ludzi.
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Respiratory system modelling and simulation based on the forced oscillation technique
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Modelling of energy flow in electrical machines. A bond graph approach
PublicationPrzedstawiono w ujęcia grafów wiązań model przepływu energii/mocy w maszynach elektrycznych pracujących w hybrydowych systemach przetwarzania energii. Jako przykład do rozważań przyjęto system napędu trakcyjnego pojazdów hybrydowych.
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Modelling heat transfer in heterogeneous media using fractional calculus
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Numerical modelling of conical wave formation in multimode optical fibers
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Propeller Load Modelling In The Calculations Of Marine Shafting Torsional Vibrations
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Cointegration Modelling for Health and Condition Monitoring of Wind Turbines - An Overview
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Modelling and Analysis of the Positioning Accuracy in the Loading Systems of Mobile Cranes
PublicationIn this work, the authors analyse the influence of the order and range of sequential movements of a crane's working members on the accuracy of the final cargo positioning. The analysis was conducted on the basis of a specially developed method in which the authors proposed the introduction of a geometrical indicator of positioning the load in the intermediate positions (after completing each movement sequence) and in the target...
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Marine traffic risk modelling – an innovative approach and a case study
PublicationThis paper presents a model to analyse the risk of two common marine accidents: collision and grounding. Attention is focused on oil tankers since they pose the highest environmental risks. A case study in selected areas of the Gulf of Finland in ice-free conditions is presented. The model utilizes a formula for risk calculation that considers both the probability of an unwanted event and its consequences. The model can be decomposed...
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Modelling of the Movement of Designed Vehicles on Parking Space for Designing Parking
PublicationNowadays, in all cities there is an acute problem of lack of parking spaces. The vehicles are becoming more and more not only in megacities, but also in small cities of the country, and there are no more parking places - the pace of solving the problem is several times slower than the speed of transport growth among the citizens. The article is dedicated to determination of the optimum sizes parking place for designing vehicles...
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Modelling of Graphene Field-Effect Transistor for lectronic sensing applications
PublicationA top-gated Graphene Field-Effect Transistor (GFET) suitable for electronic sensing applications was modelled. The applied simulation method reproduces correctly the output transfer GFET characteristics and allows to investigate doping effect caused by different physical, chemical or biological factors. The appearance of additional charge in the system results in the shift of the current-voltage characteristic. This feature could...
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Business process modelling and simulation using formal experience record
PublicationZaproponowano modelowanie procesow biznesowych w oparciu o formalny zapis doswiadzcen. Przedtswiono softwerowa implementacje zaproponowego modelu.
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Modelling of network schedule including priority of selected technical resources
PublicationThe paper presents a method of network planning CPM – Critical Path Method. The author compares models of optimal solutions to design deadlines for individual works, taking various leading technical resources such as is labor and a tower crane into account.
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Comparison of modelling and measurement results of spectra emitted by a programmable lamp
PublicationNowadays artificial light with an optimized spectrum is used in many different applications. For instance, it is widely used in museums and exhibitions to illuminate the art. Moreover, such light stimulates the growth of plants, or can be applied in industry and healthcare. To achieve the best results for each application, the adjusting of a dedicated spectrum is required, which is a complicated task. The ongoing research is focused...
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Modelling of sequencing batch reactor operating at various aeration modes
PublicationThe presented study involved designing a computer model of a sequencing batch reactor (SBR) at laboratory scale. The data pertaining to the technical aspects of the bioreactor and quality indicators of wastewater constituted the input for the employed simulation tool, i.e. GPS-X software package. The results of a simulation involving a 12-hour operation cycle are presented in this work; each cycle included 6 phases: filling, mixing,...
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NUMERICAL MODELLING AND EXPERIMENTATION OF HISTORICAL CARPENTRY CORNER LOG JOINTS
PublicationThe main purpose of this research is to determine the stress distributions on the contact surfaces between the logs of the historical carpentry corner joints. The additional purpose is to compare the stress distribution for four different boundary conditions in the case of dry and wet pine wood. The paper presents the results of numerical analysis of the shortcorner dovetail connection and the saddle notch corner joint, which are...
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Context-aware User Modelling and Generation of Recommendations in Recommender Systems
PublicationRecommender systems are software tools and techniques which aim at suggesting new items that may be of interest to a user. This dissertation is focused on four problems in recommender systems domain. The first one is context-awareness, i.e. how to obtain relevant contextual information, how to model user preferences in a context and use them to make predictions. The second one is multi-domain recommendation, which aim at suggesting...
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Harmonics produced by traction substations – computer modelling and experimental verification
PublicationVoltage and current harmonics have a detrimental effect on the components of a power system. Current harmonics may result in the overload and damage to power transformers. Voltage harmonics may result in, for example, damage to capacitor banks used to compensate reactive power. Devices which contribute to both current and voltage distortion include traction rectifiers. This paper presents results of the computer investigation of...
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Modelling selected road safety measures at the regional level in Europe
PublicationRegions are Europe’s basic levels of management. The literature was reviewed to identify regional safety analyses and some of the factors that are important for road safety in the regions. Next, data were collected atthe regional NUTS 2 level in Europe for the years 1999-2008. An analysis of the data helped identify f actors which have the strongest bearing on fatalities and other safety measures. This paper presents the initial...
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Dielectric Spectroscopy Studies and Modelling of Piezoelectric Properties of Multiferroic Ceramics
PublicationCompounds and solid solutions of bismuth ferrite (BiFeO3)—barium titanate (BaTiO3) system are of great scientific and engineering interest as multiferroic and potential high-temperature lead-free piezoelectric materials. In the present paper, the results of research on the synthesis and characterisation of 0.67Bi1.02FeO3–0.33BaTiO3 (67BFBT) ceramics in terms of crystal structure and dielectric and piezoelectric properties are reported....
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Modelling and computer programmes for dynamie analysis of complex mechanical systems
PublicationPraca dokumentuje dokonania samodzielnych pracowników naukowych Wydziału Mechanicznego Politechniki Gdańskiej i ma na celu przedstawienie i rozpowszechnienie wyników badań prowadzonych na Wydziale, szczególnie w ramach grantów KBN, rozpraw doktorskich i habilitacyjnych w ostatnich kilku latach.
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Modelling of fracture process in brittle materials using a lattice model
PublicationW artykule przedstawiono wyniki obliczeń propagacji rys w elementach betonowych przy zastosowaniu modelu dyskretnego opartego na ruszcie belkowym. Obliczenia wykonano dla różnych problemów brzegowych. Dla redukcji kruchości w obszarze pokrytycznym przyjęto model nielokalny obliczenia odkształceń.
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Modelling of fracture process in concrete using a novel lattice model.
PublicationArtykuł omawia wyniki modelowania procesu zarysowania w elementach betonowych przy zastosowaniu dyskretnego modelu kratownicowego. Beton był modelowany na poziomie mezoskali z uwzględnieniem 3 faz: kruszywa, zaczynu cementowego i stref kontaktu. Obliczenia wykonano dla rozciągania i ścinania połączonego z rozciąganiem.
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Discrete Modelling of Micro-structural Phenomena in Granular Shear Zones
PublicationThe micro-structure evolution in shear zones in cohesionless sand for quasi-static problems was analyzed with a discrete element method (DEM). The passive sand failure for a very rought retaining wall undergoing horizontal translation towards the sand backfill was discussed. To simulate the behaviour of sand, the spherical discrete element model was used with elements in the form of rigid spheres with contacts moments.
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Modelling of concrete behaviour with a non-local continuum damage approach
PublicationW artykule przedstawiono wyniki numerycznej dla różnych problemów brzegowych związanych z powstawaniem rys w betonie. Obliczenia wykonano przy zastosowaniu modelu zniszczeniowego (z uwzględnieniem degradacji sztywności). Do opisu rys, model rozszerzono o nielokalność.
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Computational simulations of concrete behaviour under dynamic conditions using elasto-visco-plastic model with non-local softening
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Inhibiting Activity of HIV-1: Protease, Reverse Transcriptase and Integrase All Together by Novel Compounds Using Computational Approaches
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The Metal-Free Regioselective Deuteration of 2-Methylquinolin-8-ol and 2,5-Dimethylquinolin-8-ol, Spectroscopic and Computational Studies
PublicationAbstract: Aim and Background: Introducing deuterium to a molecule is of interest to a wide variety of research, including investigation of reaction mechanisms or kinetics, analysis of drug metabolism, structural elucidation of molecules, and syntheses of isotopically labeled materials used for NMR spectroscopy and medicinal research. Objective: The transition-metal-free regioselective deuteration of 2-methylquinolin-8-ol...
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Computational simulations of concrete behaviour under dynamic conditions using elasto-visco-plastic model with non-local softening.
PublicationW artykule przedstawiono wyniki obliczeniowych symulacji zachowania betonu w warunkach dynamicznych stosując sprężysto-lepko-plastyczny model z nielokalnym osłabieniem. Wykonano obliczenia dla ściskania jednoosiowego, rozciągania jednoosiowego i zginania. Dla dużych prędkości obciążenia uwzględniono fragmentację materiału. Wyniki porównano z doswiadczeniami.
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Magnetic anisotropy and structural flexibility in the f ield-induced single ion magnets [Co{(OPPh2) (EPPh2)N}2], E = S, Se, explored by experimental and computational methods
PublicationDuring the last few years, a large number of mononuclear Co(II) complexes of various coordination geometries have been explored as potential single ion magnets (SIMs). In the work presented herein, the Co(II) S = 3/2 tetrahedral [Co{(OPPh2)(EPPh2)N}2], E = S, Se, complexes (abbreviated as CoO2E2), bearing chalcogenated mixed donor-atom imidodiphosphinato ligands, were studied by both experimental and computational techniques. Specifically,...
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Mathematical modelling of two-step nitrification-denitrification for treatment of sludge digester liquors: influence of nitrite (NO2-N) on the process kinetics
PublicationSeparate treatment of the sludge digester liquors is an alternative for expansion of the mainstream treatment line. In order to reduce the oxygen demand for nitrification and organic carbon demand for denitrification, a shortcut in the nitrogen conversion pathway has been promoted in recent years, i.e. nitrification-denitrification via NO2-N instead of NO3-N. Although NO2-N is a common intermediate product of nitrification and...
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Modelling Long‐Term Transition from Coal‐Reliant to Low‐Emission Power Grid and District Heating Systems in Poland
PublicationEnergy systems require technological changes towards climate neutrality. In Poland, where the power system is dominated by outdated coal-fired power plants, efforts to minimize the environmental impact are associated with high costs. Therefore, optimal paths for the development of the energy sector should be sought in order to achieve ambitious long-term strategic goals, while minimizing the negative impact on the consumers’ home...
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Portico Farmhouses of the Vistula Delta: Architecture, Current State and Finite Element Modelling of Timber Roof Truss under Material and Cross-section Uncertainty
PublicationThe article focuses on the oldest surviving I-type portico houses located in the Vistula Delta, which were built in the 17th and 18th centuries. The study describes the houses’ origins, structure, details of roof structures and technical condition, and it also includes numerical modelling of a roof truss and its mechanical analysis. Numerical models of the roof trusses are defined and analysed by means of the finite element method....
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublicationThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Rotational state-changing collisions of C2H− and C2N− anions with He under interstellar and cold ion trap conditions: A computational comparison
PublicationWe present an extensive range of quantum calculations for the state-changing rotational dynamics involving two simple molecular anions that are expected to play some role in the evolutionary analysis of chemical networks in the interstellar environments, C2H− (X1Σ+) and C2N− (X3Σ−), but for which inelastic rates are only known for C2H−. The same systems are also of direct interest in modeling selective photo-detachment experiments...
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Simple Computational Methods in Predicting Limit Load of High-Strength Cold-Formed Sections due to Local Buckling: A Case Study
PublicationCold-formed thin-walled sections are prone to local buckling caused by residual stresses, geometrical imperfections and inconsistency of material properties. We present a real case of buckling failure and conduct a numerical and experimental study aimed to identify methods capable of predicting such failures. It is important because designers of structures are getting more FEA-oriented and tend to avoid lengthy procedures of cold-formed...
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Modelling of optical components made of liquid crystals and liquid crystalline polymers
PublicationW artykule przedstawiono koncepcję wykorzystania ciekłych kryształów i polimerów ciekłokrystalicznych do budowy dwójłomnych elementów optycznych - płytek opóźniających, pryzmatów Wollastona i Nomarskiego. Przedstawiono wyniki modelowania pryzmatów Nomarskiego wykonanych z polimerów ciekłokrystalicznych i dokonano porównania ich właściwości z właściwościami pryzmatów wykonanych z typowych materiałów dwójłomnych.
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Wave propagation modelling in 1D structures using spectral finite elements
PublicationW artykule omówiono modele propagacji fal wzdłużnych i poprzecznych w prętach oparte na dwóch sformułowaniach (w dziedzinie częstości i w dziedzinie czasu) metody elemntów spektralnych. Porównano otrzymane wyniki z wynikami eksperymentu.
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Problems of strength modelling of steel sandwich panels under in-plate load
PublicationW pracy omówiono zagadnienia wytrzymałości statycznej stalowych paneli typu sandwich spawanych laserowo. Omówiono charakterystyki sztywności podczas zginania, przedstawiono zachowanie pod obciążeniem równomiernie rozłożonym a także sposób niszczenia pod obciążeniem ściskającym. Omówiono możliwości stosowania takich konstrukcji na podstawie wniosków z badań.