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Search results for: computational grounded theory
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JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
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PROGRESS IN COMPUTATIONAL FLUID DYNAMICS
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Journal of Computational Biophysics and Chemistry
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Journal of Applied and Computational Topology
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Experimental and Computational Multiphase Flow
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THEORETICAL AND COMPUTATIONAL FLUID DYNAMICS
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ARCHIVES OF COMPUTATIONAL METHODS IN ENGINEERING
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COMPUTATIONAL MECHANICS
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Mechatronics and Mechanism Theory, L, EMSS, summer 2022/2023 (PG_00061236)
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Unique agreement of experimental and computational infrared spectroscopy: a case study of lithium bromide solvation in an important electrochemical solvent
PublicationInfrared (IR) spectroscopy is a widely used and invaluable tool in the studies of solvation phenomena in electrolyte solutions. Using state-of-the-art chemometric analysis of a spectral series measured in a concentration-dependent manner, the spectrum of the solute-affected solvent can be extracted, providing a detailed view of the structural and energetic states of the solvent molecules influenced by the solute. Concurrently,...
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Urban Food Self-Production in the Perspective of Social Learning Theory: Empowering Self-Sustainability
PublicationUrban food production is becoming an increasingly significant topic in the context of climate change and food security. Conducting research on this subject is becoming an essential element of urban development, deepening knowledge regarding the benefits, challenges, and potential for the development of urban agriculture as an alternative form of food production. Responding to this need, this monograph presents the results of...
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Application of Graph Theory Algorithms in Non-disjoint Functional Decomposition of Specific Boolean Functions
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Necessity for and possibility of application of the theory of semi-markov processes to determine reliability of diagnising systems
PublicationW 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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Relativistic theory of photoionization of one electron systems: an eigen channel R-matrix approach.
PublicationPrzedstawiono zastosowanie metody kanałów własnych R-macierzy do opisu procesu fotojonizacji relatywistycznych układów jednoelektronowych.
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Theory of design - Problems of Contemporary Architecture and Urbanism (lecture) 2023/24
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Spaces in Theory
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APPLICATION OF THE THEORY OF SEMI-MARKOV PROCESSES TO DETERMINE A LIMITING DISTRIBUTION OF THE PROCESS OF CHANGES OF ABILITY AND INABILITY STATES OF FUEL SUPPLY SYSTEMS IN HEAVY FUEL DIESEL ENGINES
PublicationThe paper presents applicability of the theory of semi-Markov processes to determine a limiting distribution of the process of changes of technical states of fuel systems for marine engines running on heavy fuel oils. The proposed study of this process includes the components of such fuel systems like: 1 - injectors, 2 - high pressure hoses, 3 - injection pumps, 4 - low pressure hoses, 5 – fine filters, 6 - coarse filters, 7 – fuel-feed...
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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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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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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe 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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A model of fuel combustion process in the marine reciprocating engine work space taking into account load and wear of crankshaft-piston assembly and the theory of semi-Markov processes
PublicationThe ar ticle analyses the operation of reciprocal internal combu stion engines, with mar ine engines u sed a s an example. The analysis takes into account types of energy conversion in the work spaces (cylinders) of these engines, loads of their crankshaft-piston assemblies, and types of fuel combustion which can take place in these spaces during engine operation. It is highlighted that the analysed time-dependent loads of marine...
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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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Relationships between work ethic and motivation to work from the point of view of the self-determination theory
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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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Application of an extended DLVO theory for the calculation of the interactions between emulsified oil droplets in alcohol solutions
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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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Buckling analysis of shell structures with stochastic imperfections using six parameter nonlinear shell theory
PublicationPrzedstawiono 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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On the use of enhanced strain formulation in 6-field nonlinear shell theory with asymetric strain measures
PublicationW 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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Airfoil Design Under Uncertainty Using Non-Intrusive Polynomial Chaos Theory and Utility Functions
PublicationFast and accurate airfoil design under uncertainty using non-intrusive polynomial chaos (NIPC) expansions and utility functions is proposed. The NIPC expansions provide a means to efficiently and accurately compute statistical information for a given set of input variables with associated probability distribution. Utility functions provide a way to rigorously formulate the design problem. In this work, these two methods are integrated...
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Modulation of dielectric properties in low-loss polypropylene-based composites at GHz frequencies: theory and experiment
PublicationPolymer 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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Study of passive deck-flaps flutter control system on full bridge model. I: Theory
PublicationSformułowano 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
PublicationTeoria 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
PublicationW 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.
PublicationZa 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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'22 Teoria i Projektowanie Urbanistyczne 2 / Urban Design Theory and Studio
e-Learning CoursesArchitektura s.4 rok 2021/2022 TEORIA URBANISTYKI I PROJEKTOWANIE URBANISTYCZNE 2Kształtowanie kompleksowego środowiska zamieszkiwania Kurs przeznaczony jest dla studentów 4 semestru studiów inżynierskich na kierunku Architektura, realizowanych w roku akademickim 2021 / 2022 Zajęcia odbywają się w poniedziałki (projektowanie)oraz we wtorki (wykłady) zgodnie z planem i zapisami do poszczególnych grup realizowanymi przez...
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Random processes - theory for the practician summer term 2020/2021, computer classes
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Lipophilicity Determination of Antifungal Isoxazolo[3,4-b]pyridin-3(1H)-ones and Their N1-Substituted Derivatives with Chromatographic and Computational Methods
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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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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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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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Association for Computational Linguistics
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Theory and Practice: Journal of the Music Theory Society of New York State
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Elective seminar: Designing Urban Lighting for the Built Environment – from Theory to Practice
e-Learning CoursesGoal of the course: Understanding the basic design issues related to illumination of the exterior spaces in the built environment Course content / class schedule: 1.Student will learn the difference between Functional versus Decorative lighting in exterior spaces 2. Student will learn how artificial lighting can shape the appearance of an urban space 3. Student will learn necessary tools (luminaires, light sources,...
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Introduction to Local Governance and Theory of Spatial Planning (2021/22, winter semester)
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Victor Eremeev prof. dr hab.
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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
PublicationPrzedstawiono 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
PublicationW 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...