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Wyniki wyszukiwania dla: LARGE-SCALE DFT
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A test of construct isomorphism of the Belief in a Zero-Sum Game scale: A multilevel 43-nation study
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A preliminary adaptation and validation of the <i>Overwork Climate Scale</i> by Mazzetti, Schaufeli, Guglielmi and Depolo
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AN EXPERIMENTAL STUDY OF THE PHOTOCATALYTIC HYDROGEN PRODUCTION IN THE LABORATORY-SCALE SET-UP DEPENDING ON THE PROCESS CONDITIONS
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Softly switched model predictive control for control of integratedwastewater treatment system at medium time scale.
PublikacjaW przypadku gdy system jest sterowany za pomocą jednej, uniwersalnej strategii sterowania w pełnym zakresie jego obciążeń, powstają poważne trudności w znalezieniu optymalnego sterowania. W celu jak najlepszego dopasowania strategii sterowania do panujący warunków, zdefiniowano trzy stany operacyjne: normalny, zakłóceniowy oraz awaryjny. Dla tych stanów zaprojektowano odpowiednie strategie sterowania. W związku z tym pojawia się...
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The Attitudes of Polish Women towards Breastfeeding Based on the Iowa Infant Feeding Attitude Scale (IIFAS)
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Research Protocol of the Polish Adaptation and Validation of HOPE Scale: Qualitative Measurement of Patients' Spiritual Needs
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Temporal sequence of the human RBCs' vesiculation observed in nano-scale with application of AFM and complementary techniques
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A Comparison of the Efficiency of Deammonification under Different Aeration Strategies in a Laboratory-Scale Sequencing Batch Reactor
PublikacjaAn important source of nitrogen load entering the biological part of wastewater treatment plants (WWPTs) is derived from the anaerobic sludge digestion processes. Sludge digestion liquors constitute only 1-2% of the inflow to the plant, but the load of nitrogen directed with them to the main stream may be as high as 10-20% of the total nitrogen load. Therefore, numerous studies have focused on treatment of sludge digestion liquors...
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Experimental tests and numerical simulations of full scale composite sandwich segment of a foot- and cycle- bridge
PublikacjaIn the paper experimental tests and numerical simulations of a full cross-section segment of ultimately designed foot-and cycle-bridge are presented. The experimental tests were conducted on element with length reduced to 3 m and unchanged (target) cross-section dimensions. The external skin of structure is GFRP laminate while internal core is PET foam. Several quasi-static tests were performed using hydraulic cylinder to generate...
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Small Scale Gasification of Biomass and Municipal Wastes for Heat and Electricity Production using HTAG Technology
PublikacjaCombustion and gasification technology utilizing high-cycle regenerative air/steam preheater has drawn increased attention in many application areas. The process is to be realized at temperature level above ash melting point using highly preheated agent. The use of highly preheated media above 900degC provides additional energy to conversion processes and results in considerable...
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Numerical modeling and experimental validation of full-scale segment to support design of novel GFRP footbridge
PublikacjaThe paper contains analysis of full-scaled three meters long segment of a novel composite footbridge. Both numerical modeling and experimental validation were performed. Analyzed object is a shell type sandwich channel-like structure made of composite sandwich with GFRP laminates as a skin and PET foam as a core. Several static load schemes were performed including vertical and horizontal forces. In FEM analysis multilayered laminate...
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Long‐time scale simulations of virus‐like particles from three human‐norovirus strains
PublikacjaThe dynamics of the virus like particles (VLPs) corresponding to the GII.4 Houston, GII.2 SMV, and GI.1 Norwalk strains of human noroviruses (HuNoV) that cause gastroenteritis was investigated by means of long-time (about 30 μs in the laboratory timescale) molecular dynamics simulations with the coarse-grained UNRES force field. The main motion of VLP units turned out to be the bending at the junction between the P1 subdomain (that...
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Two - scale model for concrete beams subjected to three point bending - numerical analyses and experiments
PublikacjaArtykuł omawia dwu-skalowe podejście do betonu przy wykorzystaniu połączonych modeli. Metodę elementów skończonych zastosowano na poziomie makro. Na poziomie mikro zastosowano metodę elementów dyskretnych. Macierz sztywności wyznaczono na podstawie tensora naprężeń wyznaczonego w skali mikro. Wyniki numeryczne dw-skalowe porównano z wynikami dyskretnymi dla całego obszaru.
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Termodynamika oddziaływań substancji tetrafenylowych z wodą w świetle teorii funkcjonału gęstości
PublikacjaW termodynamice roztworów elektrolitów istotne jest zagadnienie podziału eksperymentalnie wyznaczanych wielkości termodynamicznych na udziały jonowe. Z uwagi na niemożność niezależnego wyznaczenia jonowych wielkości cząstkowych, podział wielkości charakteryzujących elektrolit musi być z konieczności dokonany w oparciu o założenie pozatermodynamiczne. Obecnie przyjmuje się, że najbardziej uzasadnionym teoretycznie i eksperymentalnie...
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Technika cyfrowego przetwarzania sygnałów
PublikacjaPodręcznik jest przeznaczony dla studentów kierunków Elektronika i telekomunikacja, Inżynieria biomedyczna oraz Automatyka i robotyka. Obejmuje on zagadnienia z zakresu cyfrowego przetwarzania sygnałów, przerabiane na takich przedmiotach jak Przetwarzanie sygnałów, Filtry cyfrowe, Zastosowania procesorów sygnałowych. Ma stanowić pomoc przy prowadzeniu zajęć z ćwiczeń tablicowych, zajęć laboratoryjnych czy projektu z zastosowań...
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Crystal structure, DFT-study and NLO properties of the novel copper(I) nitrate π,σ-coordination compound based on 1-allyl-3-norbornan-thiourea
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Research on water lubricated main shaft bearings in conditions of improper lubrication and cooling conducted on high torque real-life scale bush test rig
PublikacjaWater lubricated polymer bushes find increasingly popular use in the sliding bearings of marine propellers, water turbines and pump shafts. Such popularity is partly due to their simple construction which also means relatively affordable price. In addition, properly designed and installed water lubricated bearings may well last for over a decade. However, in practical experience one may also observe cases of rapid wear...
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Large red cyanobacterial mats (Spirulina subsalsa Oersted ex Gomont) in the shallow sublittoral of the southern Baltic
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The last meal: large insects predominate the diet of the European Roller Coracias garrulus prior to population extinction
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Increased risk of thyroid pathology in patients with thyroid hemiagenesis: results of a large cohort case–control study
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Inverse Analysis as a Key Element of Safety Assessment under the Snow Load For The Large Suspension Roofs Structure
PublikacjaThe paper presents a concept and realization of monitoring system for the Silesian Stadium in Chorzow. The idea of the system lies in fusion of structure monitoring with a calibrated numerical FEM model [1]. The inverse problem is solved. On the base of measured selected displacements, the numerical FEM model of the structure combined with iterative method, develops the current snow load distribution. Knowing the load, we can calculate...
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Rivers Try Harder. Reversed “Differential Erosion” as Geological Control of Flood in the Large Fluvial Systems in Poland
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Chaotic modes of systems described by the Liénard equations with a large period of the right-hand side and impact conditions
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Theoretical Design of the Molecular Structure of Bent-Core Mesogens with Large Second-Order Nonlinear Optical Properties
PublikacjaABSTRACT: The first hyperpolarizability of two series of moleculeswith bent-shaped structures has been calculated at the ab initio level.The two series consist of carboxyl derivatives for which somemolecules are known to exhibit banana phases and of their sulfinatehomologues that have not been synthesized yet. The final purpose isto reveal the relevance or not in synthesizing these latter molecules.The strategy is based on reporting...
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PSYCHOMETRIC PROPERTIES OF THE POLISH VERSION OF THE GENERALIZED ANXIETY DISORDER 7-ITEM SCALE (GAD-7) IN A NON-CLINICAL SAMPLE OF EMPLOYEES DURING PANDEMIC CRISIS
PublikacjaObjectives: The COVID-19 outbreak is an example of a crisis that triggered an increase in generalized anxiety disorder. The study aims to validate the Polish version of the Generalized Anxiety Disorder 7-item scale (GAD-7) by Spitzer et al. among a non-clinical sample of employees and examine the invariance depending on the gender and age of working adults. Material and Methods: For assessing factor structure of the Polish version...
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Prediction of energy consumption and evaluation of affecting factors in a full-scale WWTP using a machine learning approach
PublikacjaTreatment of municipal wastewater to meet the stringent effluent quality standards is an energy-intensive process and the main contributor to the costs of wastewater treatment plants (WWTPs). Analysis and prediction of energy consumption (EC) are essential in designing and operating sustainable energy-saving WWTPs. In this study, the effect of wastewater, hydraulic, and climate-based parameters on the daily consumption of EC by...
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Atomic-Scale Finite-Element Modeling of Elastic Mechanical Anisotropy in Finite-Sized Strained Phosphorene Nanoribbons
PublikacjaNanoribbons are crucial nanostructures due to their superior mechanical and electrical properties. This paper is devoted to hybrid studies of the elastic mechanical anisotropy of phosphorene nanoribbons whose edges connect the terminals of devices such as bridges. Fundamental mechanical properties, including Young’s modulus, Poisson’s ratio, and density, were estimated from first-principles calculations for 1-layer, 3-layer, and...
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Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers
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Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment
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Multidimensional attitudes scale toward persons with disabilities: factor and exploratory analysis for a Ukrainian version (MAS-UA)
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Principles for the Application of Vibration Intensity Scale for the Prediction and Assessment of Impact of Actions of Exploitation Mine on Buildings and People
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Biostability of Tap Water—A Qualitative Analysis of Health Risk in the Example of Groundwater Treatment (Semi-Technical Scale)
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PAID-PL—The Polish Version of the Problem Areas in Diabetes Scale: Perfect Reliability and a One-Factor Structure
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The level of spiritual care competence of Polish nurses and the psychometric properties of the spiritual care competence scale (SCCS)
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Calculations of fracture process zones on meso-scale in notched concrete beams subjected to three-point bending.
PublikacjaW artykule przedstawiono wyniki numeryczne MES modelowanie belek betonowych z nacięciem na poziomie skali mezo. Beton został opisany na poziomie skali mezo jako stochastyczny materiał 3-składnikowy złożony z kruszywa, zaczynu cementowego oraz stref kontaktu. Obliczenia wykonano przy wykorzystaniu modelu degradacji sztywności z nielokalnym osłabieniem. Zbadano wpływ stochastycznego rozkładu kruszywa, średnicy, kształtu oraz zagęszczenia...
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A DFT computational study on the molecular mechanism of the nitro group migration in the product derived from 3-nitro-2-(trifluoromethyl)-2 H -chromene and 2-(1-phenylpropylidene)malononitrile
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Energy resolution and light yield non-proportionality of ZnSe:Te scintillator studied by large area avalanche photodiodes and photomultipliers
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Performance of various risk prediction models in a large lung cancer screening cohort in Gdańsk, Poland—a comparative study
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Regarding to functional outcomes after extracapsular dissection with partial facial nerve dissection for small and large parotid neoplasms
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Extension of the Unres Package for Physics-Based Coarse-Grained Simulations of Proteins and Protein Complexes to Very Large Systems
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Trustworthiness and Subversion in Large Service- Oriented Multi-Agent Systems under Virtual Anonymity and Blind Provider Selection
PublikacjaTo promote honest service provision in multi-agent systems, a Computational Trustworthiness and Rating scheme collects service ratings and computes agents' trustworthiness levels (TLs). Studies of existing schemes fail to reflect closed-loop dynamics of TLs arising from the mutual influence of agents' behavior and TLs, and to capture relevant properties. Recent simulative and analytical models produce results tied to a particular...
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Bulky ligands shape the separation between the large spin carriers to condition field-induced slow magnetic relaxation
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A systematic approach to understand hydrogeochemical dynamics in large river systems: Development and application to the River Ganges (Ganga) in India
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Large deformations formulation and elastic instability of single layer nanoplate embedded on polymer medium in nonlocal continuum mechanic
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Effect of dietary inclusion of 1% or 3% of native chicory inulin on the large intestinal mucosa proteome of growing pigs
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Growth and Isolation of Large Area Boron‐Doped Nanocrystalline Diamond Sheets: A Route toward Diamond‐on‐Graphene Heterojunction
PublikacjaMany material device applications would benefit from thin diamond coatings, but current growth techniques, such as chemical vapor deposition (CVD) or atomic layer deposition require high substrate and gas‐phase temperatures that would destroy the device being coated. The development of freestanding, thin boron‐doped diamond nanosheets grown on tantalum foil substrates via microwave plasma‐assisted CVD is reported. These diamond...
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A RECONNAISSANCE-SCALE GIS-BASED MULTICRITERIA DECISION ANALYSIS TO SUPPORT SUSTAINABLE BIOCHAR USE: POLAND AS A CASE STUDY
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Estimation of wastewater treatment plant state for model predictive control of N-P remowal at medium time scale.
PublikacjaPrzy ograniczonych możliwościach pomiarowych estymaty stanu są potrzebne w sterowaniu optymalizującym, opartym na sterowaniu predykcyjnym, sterującym usuwaniem azotu i fosforu, w biologicznej oczyszczalni ścieków. Optymalizator MPC do implementacji sprzężenia zwrotnego z obiektu potrzebuje tych estymat. Dodatkowo aktualizowane muszą być parametry modelu Gray-Box wykorzystywanego w module MPC. Wtedy estymaty stanu są używane przez...
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Weighted least squares parameter estimation for model predictive control of integrated wastewater systems at medium time scale.
PublikacjaW artykule przedstawione zostało sformułowanie i implementacja algorytmu ważonej sumy najmniejszych kwadratów na przesuwnym oknie pomiarowym dla celów estymacji parametrów modelu typu szara skrzynka. Model typu szara skrzynka dynamiki reaktora biologicznego jest wykorzystywany przez moduł sterowania predykcyjnego sterujący zintegrowanym systemem ściekowym w średniej skali czasu. Algorytm estymacji parametrów był walidowany na symulatorze...
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Comparison of two model concepts for simulation of nitrogen removal at a full-scale biological nutrient removal pilot plant
PublikacjaCelem badań było porównanie zdolności predykcyjnych dwóch mechanistycznych modeli procesu osadu czynnego (ASM1 i ASM3). W tym celu wykorzystano bazę danych empirycznych z pilotowej oczyszczalni ścieków Gummerwald w Hanowerze (Niemcy). Oba badane modele prognozowały szczytowe stężenia azotu amonowego na poziomie >8 gN/m3 w ciągu, którego obciążenie hydrauliczne wzrastało czterokrotnie w porównaniu do okresu bezdeszczowego. Prognozowany...