Search results for: THEORETICAL MODEL
-
Analysis of odor interactions in ternary gas mixtures using electronic nose
PublicationIn recent years there has been a noticeable increase in interest in the use of electronic noses in analytical chemistry. These devices perform a holistic analysis of the gas mixtures composition, without the separation and identification of its individual components. For this reason e-noses are increasingly replacing the conventional olfactometers, due to the significantly shorter analysis time and possible automation. In the work...
-
Computer-Aided Automated Greenery Design—Towards a Green BIM
PublicationContemporary climate challenges are changing the architect’s awareness, which results in a broader spectrum of interest. The available software enables the design of vegetation, but it is often very limited and requires specialist knowledge. The available software allows the creation of individual solutions based on visual algorithms or writing scripts; however, they are still not common methods used in architecture and urban planning....
-
Global dynamics in a stage-structured discrete-time population model with harvesting
Publication -
How personality traits, sports anxiety, and general imagery could influence the physiological response measured by SCL to imagined situations in sports?
Open Research DataThe data were collected to understand how individual differences in personality (e.g. neuroticism), general imagery, and situational sports anxiety are linked to arousal measuring with skin conductance level (SCL) in situational imagery (as scripted for sport-related scenes). Thirty persons participated in the study, aged between 14 and 42 years, with...
-
Oddziaływania taboru na mosty kolejowe przy zmiennych parametrach ruchu
PublicationW pracy poruszono zagadnienia związane z identyfikacją oraz modelowaniem układu dynamicznego most-pojazd ruchomy. Za element szczególnie istotny uznano czynnik obciążający. Opracowano i wdrożono metodykę identyfikacji cech dynamicznych rzeczywistego pojazdu szynowego. Eksperyment badawczy przeprowadzono dla jednostki trakcyjnej EN57, jednak nie ma żadnych ograniczeń w stosowaniu metody dla innego, konwencjonalnego taboru szynowego....
-
NUMERICAL MODEL OF PLASTIC DESTRUCTION OF THICK STEEL STRUCTURAL ELEMENTS
PublicationIn the shipbuilding industry, the risk of brittle fracture of the structure is limited by using certified materials with specified impact strength, determined by the Charpy method (for a given design temperature) and by supervising the welding processes (technology qualification, production supervision, non-destructive testing). For off-shore constructions, classical shipbuilding requirements may not be sufficient. Therefore, the...
-
Krótko- i długookresowe skorygowane krańcowe skłonności do konsumpcji. Gospodarka Polski w latach 1995-2018
PublicationWe wstępnej części artykułu - odwołując się do teorii Keynesa - omówiono i zdefiniowano podstawowe relacje makroekonomiczne pomiędzy konsumpcją globalną a produktem krajowym brutto. W następnej kolejności przeprowadzono analizę informacji statystycznych dotyczących prywatnych wydatków konsumpcyjnych gospodarstw domowych (C) oraz globalnych wydatków konsumpcyjnych społeczeństwa (CO) na tle produktu krajowego brutto (PKB) w Polsce...
-
Market knowledge and new product performance: the mediating effects of new product performance
PublicationMarket knowledge is recognised as an important predictor of new product performance, which existing studies have proven. However, a missing link in this relationship is creativity, and specifically, as a natural process in product innovation. This study aims to examine a model that includes two mediating mechanisms between market knowledge scope and two new product outcomes, respectively: a new product’s competitive advantage and...
-
Sustainable energy consumption – Empirical evidence of a household in Poland
PublicationThere is an expected increase in the demand for electricity from households in European countries. The outcome of the growing proportion of renewable energy sources in the energy supply mix should result in improved customer awareness regarding their electricity usage. Additionally, they must assume a more proactive role in overseeing their electricity usage. Innovation and pollution management have become crucial catalysts for...
-
ZnO ALD-Coated Microsphere-Based Sensors for Temperature Measurements
PublicationIn this paper, the application of a microsphere-based fiber-optic sensor with a 200 nm zinc oxide (ZnO) coating, deposited by the Atomic Layer Deposition (ALD) method, for temperature measurements between 100 and 300°C, is presented. The main advantage of integrating a fiber-optic microsphere with a sensing device is the possibility of monitoring the integrity of the sensor head in real-time, which allows for higher accuracy during...
-
Modeling the electrical characteristics of P3HT:PCBM bulk heterojunction solar cells: Influence of the interface recombination
PublicationThe interface recombination of charge carriers located in the material with lower permittivity (Szmytkowski 2009 Chem.Phys.Lett. 470 123) has been implemented for the first time to calculate the electrical characteristics of the donor-acceptor P3HT:PCBM bulk heterojunction solar cell. In order to estimate the photocurrent density in this system, a simple analytical formula has been derived. We have obtained a very good agreement...
-
Marek Zienkiewicz dr inż.
PeopleDoctor engineer Marek Hubert Zienkiewicz is a graduate of the Faculty of Geodesy, Spatial Engineering and Construction at the University of Warmia and Mazury in Olsztyn. During his engineering, master's and doctoral studies he developed his scientific interests under the supervision of representatives of the Olsztyn geodetic compensatory calculus school. In 2011, he obtained the title of Master of Science in Geodesy and Cartography,...
-
O badaniach i analizach mostów tymczasowych typu Bailey - MS 22-80
PublicationPrzedstawiono sposoby modelowania oraz wyniki badań in situ konstrukcji mostów tymczasowych typu Bailey - MS 22-80. Sformuowano wnioski dotyczące rzeczywistego zachowania się tego rodzaju konstrukcji oraz zasad modelowania w celu jednoznacznego określenia pracy i wytężenia ustroju.
-
Dispersive solid-phase extraction using multi-walled carbon nanotubes combined with liquid chromatography–mass spectrometry for the analysis of β-blockers: Experimental and theoretical studies
Publication -
Theoretical designing of selenium heterocyclic non-fullerene acceptors with enhanced power conversion efficiency for organic solar cells: a DFT/TD-DFT-based prediction and understanding
PublicationIn this study, we have designed and explored a new series of non-fullerene acceptors for possible applications in organic solar cells. We have designed four molecules named as APH1 to APH4 after end-capped modification of recently synthesized Y6-Se-4Cl molecule. Density functional theory and time dependent-density functional theory have been employed for computing geometric and photovoltaic parameters of the designed molecules....
-
Predicting sulfanilamide solubility in the binary mixtures using a reference solvent approach
PublicationBackground. Solubility is a fundamental physicochemical property of active pharmaceutical ingredients. The optimization of a dissolution medium aims not only to increase solubility and other aspects are to be included such as environmental impact, toxicity degree, availability, and costs. Obtaining comprehensive...
-
Wpływ właściwości cieczy hydraulicznej na wartość skoków ciśnienia w komorach pomp tłoczkowych osiowych
PublicationPublikacja dotyczy badań skoków ciśnienia w komorach roboczych pomp tłoczkowych osiowych. Skupiono się w nim na wpływie właściwości cieczy hydraulicznej na wartość skoków ciśnienia. Przeanalizowano wpływ takich parametrów jak: -gęstość, -lepkość, -ściśliwość, -zapowietrzenie. Do określenia wpływu właściwości cieczy na skoki ciśnienia wykorzystano badania laboratoryjne i symulacje komputerowe.
-
Dynamic modeling of non-cylindrical curved viscoelastic single-walled carbon nanotubes based on the second gradient theory
PublicationThis 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...
-
Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects
PublicationThe radiative emission lifetime and associated S1 excited state properties of a BODIPY dye are investigated with TDDFT and EOM-CCSD calculations. The effects of a solvent are described with the polarizable continuum model using the linear response (LR) approach as well as state-specific methods. The Franck–Condon (FC), Herzberg–Teller (HT) and Duschinsky vibronic effects are evaluated for the absorption and emission spectra, and...
-
Badania i analizy kolejowych konstrukcji odciążających typu mostowego
PublicationW pracy przedstawiono i omówiono wybrane modele obliczeniowe, wyniki analiz teoretycznych oraz badań trzech typów kolejowych konstrukcji odciążających typu mostowego. Zaprezentowano modele obliczeniowe oraz metodykę badań in situ tego typu konbstrukcji. Przedstawiono wnioski dotyczące zaawansowanych metod obliczeniowych rozszerzonych badań in situ w celu diagnozowania rzeczywistej pracy obiektów mostowych.
-
On a flexomagnetic behavior of composite structures
PublicationThe popularity of the studies is getting further on the flexomagnetic (FM) response of nano-electro-magneto machines. In spite of this, there are a few incompatibilities with the available FM model. This study indicates that the accessible FM model is inappropriate when considering the converse magnetization effect that demonstrates the necessity and importance of deriving a new FM relation. Additionally, the literature has neglected...
-
On dynamic modeling of piezomagnetic/flexomagnetic microstructures based on Lord–Shulman thermoelastic model
PublicationWe study a time-dependent thermoelastic coupling within free vibrations of piezomagnetic (PM) microbeams considering the flexomagnetic (FM) phenomenon. The flexomagneticity relates to a magnetic field with a gradient of strains. Here, we use the generalized thermoelasticity theory of Lord–Shulman to analyze the interaction between elastic deformation and thermal conductivity. The uniform magnetic field is permeated in line with...
-
Electron interactions with Bis(pentamethylcyclopentadienyl) titanium(IV) dichloride and difluoride
PublicationWe present a combined experimental and theoretical study of the interaction of electrons with Bis(pentamethylcyclopentadienyl)titanium(IV) dichloride (Cp∗2TiCl2) and difluoride (Cp∗2TiF2). We report the experimental measurements of partial cross sections for the dissociative electron attachment (DEA) and the electron ionization (EI) mass spectra of isolated molecules. Estimates of the absolute cross sections are done on the basis...
-
Ligand-Modified Boron-Doped Diamond Surface: DFT Insights into the Electronic Properties of Biofunctionalization
PublicationWith the increasing power of computation systems, theoretical calculations provide a means for quick determination of material properties, laying out a research plan, and lowering material development costs. One of the most common is Density Functional Theory (DFT), which allows us to simulate the structure of chemical molecules or crystals and their interaction. In developing a new generation of biosensors, understanding the nature...
-
Analysis of turnouts with non-linear curvature of diverging track for different train running speeds
PublicationThe paper deals with the issue of shaping a variable curvature in the diverging track of the railway turnout. Solution without a circular arc in the central zone, comprising two zones of non-linear curvature, of the same length, having zero curvature values at the end points, was adopted as a model, on the basis of the previously conducted dynamic tests. Optimum type of curvature was selected from the point of view of the kinematic...
-
The Influence of the Cuboid Float’s Parameters on the Stability of a Floating Building
PublicationUsually, the concept of sufficient stability of a floating structure is connected with the capacity to keep a small heel angle despite the moment of heeling. The variable responsible for these characteristics is the initial metacentric height, which is the relation between the hydrostatic features of the pontoon and the mass properties of the entire object. This article answers the questions of how heavy the floating system should...
-
A compact microstrip rat-race coupler constituted by nonuniform transmission lines
PublicationIn this work, a step-by-step development of a compact microstrip rat-race coupler (RRC) has been presented and discussed. A high degree of miniaturization has been obtained by substituting six quarter-wavelength uniform atomic building blocks of a RRC by their nonuniform counterparts. The miniaturization procedure has been realized in three progressive steps: (i) the first layout solution of a miniaturized RRC has been acquired...
-
Rural Landscape Planning for Sustainable Development. The Case of Poland
PublicationThis text results from theoretical study on the possibilities of rural landscape renovation in Poland. The introduction marks new spatial phenomena and the scope of their influence. It indicates social and cultural reasons of the changes, and states the need of their renewed interpretation. The second part of the article contains a description of the degrading cultural landscape of the country and presents its features. It then...
-
DESIGN AND CONSTRUCTION OF TILTED WALLS IN ACCORDANCE WITH CODES' PROVISIONS ON THE EXAMPLE OF THE CONSTRUCTION OF THE MUSEUM OF THE SECOND WORLD WAR IN GDAŃSK
PublicationThe purpose of this article was to introduce the design and construction of tiled walls in accordance to codes' restrictions. The construction of the Museum of the Second World War in Gdańsk was chosen to be an example of its successful use in practice. Theoretical knowledge was based on PN-EN 1992-1-1:2008 and fib Model Code for Concrete Structures 2010. Although codes' recommendations seem curt, practice prove structural advance....
-
Computer-Aided Greenery Design—Prototype Green Structure Improving Human Health in Urban Ecosystem
PublicationIncreasing population and urbanization, with climate change consequences, such as rising temperatures, influence public health and well-being. The search to improve the quality of life in cities becomes one of the priority objectives. A solution can be found in the role of greenery in an urban environment and its impact on human health. This opens a path toward experimentation on microclimate green structures that can be inserted...
-
Managing and funding the innovative path: a close look at the SimLE scientific club at Gdańsk University of Technology, Poland
PublicationThis article presents a case study of the simply learn experience (SimLE) scientific club at Gdańsk University of Technology (Gdańsk Tech), Gdańsk, Poland, showcasing an effective model for blending theoretical knowledge with practical engineering applications. This student-led organisation aims to develop soft skills and handson experience through project work, participation in international contests and conferences. This study...
-
Adsorption behavior and corrosion inhibitive characteristics of newly synthesized cyano-benzylidene xanthenes on copper/sodium hydroxide interface: Electrochemical, X-ray photoelectron spectroscopy and theoretical studies
PublicationElegant process for synthesis of 3-(7H-dibenzo[c,h]xanthen-7-yl)benzaldehyde (3), as new starting material to create a set of novel xanthene analogues, 2-(3-(7H-dibenzo[c,h]xanthen-7-yl)benzylidene)malononitrile (4), 3-(3-(7H-dibenzo[c,h]xanthen-7-yl)phenyl)-2-cyanoacrylic acid (5), and Ethyl-3-(3-(7H-dibenzo[c,h]xanthen-7-yl)phenyl)-2-cyanoacrylate (6), was achieved starting with available materials under mild conditions. Various...
-
Optimization of Data Assignment for Parallel Processing in a Hybrid Heterogeneous Environment Using Integer Linear Programming
PublicationIn the paper we investigate a practical approach to application of integer linear programming for optimization of data assignment to compute units in a multi-level heterogeneous environment with various compute devices, including CPUs, GPUs and Intel Xeon Phis. The model considers an application that processes a large number of data chunks in parallel on various compute units and takes into account computations, communication including...
-
Solubility Characteristics of Acetaminophen and Phenacetin in Binary Mixtures of Aqueous Organic Solvents: Experimental and Deep Machine Learning Screening of Green Dissolution Media
PublicationThe solubility of active pharmaceutical ingredients is a mandatory physicochemical characteristic in pharmaceutical practice. However, the number of potential solvents and their mixtures prevents direct measurements of all possible combinations for finding environmentally friendly, operational and cost-effective solubilizers. That is why support from theoretical screening seems to be valuable. Here, a collection of acetaminophen...
-
Technology and democracy: the who and how in decision-making. The cases of Estonia and Catalonia
PublicationThis paper focuses on the use of technology to improve democracy, comparing the cases of Estonia and Catalonia. Both examples are closely related in their use of technology to further democratize the decision-making processes but have opposite starting points. Estonia’s internet voting system is an offshoot of the comprehensive e-governance system developed by the Estonian government. It is meant to make it more convenient for...
-
Morse decompositions for a population model with harvesting. Case He-Se: Equal harvesting and equal survival rates of juveniles and adults
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
-
Continuation classes for a population model with harvesting. Case He-Se: Equal harvesting and equal survival rates of juveniles and adults
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
-
Solubility of dapsone in deep eutectic solvents: Experimental analysis, molecular insights and machine learning predictions
PublicationBackground. Dapsone (DAP) is an anti-inflammatory and antimicrobial active pharmaceutical ingredient used to treat, e.g., AIDS-related diseases. However, low solubility is a feature hampering its efficient use. Objectives. First, deep eutectic solvents...
-
An Analysis of Contextual Aspects of Conceptualization: A Case Study and Prospects
PublicationIn this chapter we present a new approach to development of modularized knowledge bases. We argue that modularization should start from the very beginning of modeling, i.e. from the conceptualization stage. To make this feasible, we propose to exploit a context-oriented, semantic approach to modularization. This approach is based on the Structural Interpretation Model (SIM) presented earlier elsewhere. In the first part of thischapter...
-
Conformational Studies of [11è12(CN4)]ScyII and [15è16(CN4)]ScyII? Two Scyliorhinin II Analogues by means of 2D NMR Spectroscopy and Theoretical Methods
Publication -
Spectroscopic Optical Coherence Tomography for Thin Layer and Foil Measurements
PublicationThe main goal of this research was to assess if it is possible to evaluate the thickness of thin layers (both thin films on the surface and thin layers below the surface of the tested object) and foils using optical coherence tomography (OCT) for thickness assessment under the resolution of the standard commercially available OCT measurement system. In the proposed solution, light backscattered from the evaluated thin layer has...
-
Morse decompositions for a population model with harvesting. Case Ha-Se: Harvesting adults only, equal survival rates of juveniles and adults
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
-
Morse decompositions for a population model with harvesting. Case Hj-Se: Harvesting juveniles only, equal survival rates of juveniles and adults
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
-
Continuation classes for a population model with harvesting. Case Hj-Se: Harvesting juveniles only, equal survival rates of juveniles and adults
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
-
Continuation classes for a population model with harvesting. Case Ha-Se: Harvesting adults only, equal survival rates of juveniles and adults
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
-
Surface and interfacial anti-plane waves in micropolar solids with surface energy
PublicationIn this work, the propagation behaviour of a surface wave in a micropolar elastic half-space with surface strain and kinetic energies localized at the surface and the propagation behaviour of an interfacial anti-plane wave between two micropolar elastic half-spaces with interfacial strain and kinetic energies localized at the interface have been studied. The Gurtin–Murdoch model has been adopted for surface and interfacial elasticity....
-
Crystallization kinetics study of dynamically vulcanized PA6/NBR/HNTs nanocomposites by nonisothermal differential scanning calorimetry
PublicationInvestigation of crystallization behavior and kinetics of thermoplastic elastomer nanocomposites was the subject of limited works because of complexities associated with semiexperimental modeling of such phenomenon in a system containing components having completely different behavior in the molten state. Nonisothermal crystallization kinetics of dynamically vulcanized PA6/NBR/HNTs thermoplastic elastomer nanocomposites was mathematically...
-
LEAN MANAGEMENT IN HIGHER EDUCATION INSTITUTIONS. HOW TO BEGIN?
PublicationThe objective of this article is to present an outline of a concept aimed at identifying the possibilities of using Lean Management foundations in determining the sources of irregularities occurring in university processes from the perspective of various stakeholder groups. A research methodology is presented that creates the basis for initiating programmes modernising university processes in line with the principles of the LM...
-
Structural changes of a simple peptide—Trpzip-1—in aqueous solutions and the corresponding hydration phenomena under the influence of temperature
PublicationTrpzip-1, a simple β-hairpin, is a rare example of peptide with stable secondary structure and can be a convenient model to study temperature-related processes that potential prion or amyloid proteins undergo. Although its sequence is simple, the exact processes which the peptide undergoes in aqueous solutions are quite complex and not well understood. The selection of well-established experimental (DSC, FTIR) and theoretical methods...
-
Resonances and Dissociative Electron Attachment in HNCO
PublicationIn a combined experimental and theoretical study, we probe the dissociative electron attachment in isocyanic acid HNCO. The experimental absolute cross section for the NCO− fragment shows a sharp onset and fine structures near the threshold. The autoionizing state responsible for the dissociative attachment is found in both the R-matrix calculation and using analytic continuation in the coupling constant. The involved A' resonance...