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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublicationWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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Non-metaldoped TiO2 nanotube arrays for high efficiency photocatalytic decomposition of organic species in water
PublicationTitanium dioxide is a well-known photoactive semiconductor with a variety of possible applications. The procedure of pollutant degradation is mainly performed using TiO2 powder suspension. It can also be exploited an immobilized catalyst on a solid support. Morphology and chemical doping have a great influence on TiO2 activity under illumination. Here we compare photoactivity of titania nanotube arrays doped with non-metal atoms:...
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Comparison of Quality Evaluation of Agricultural Distillates Using Prototype of Electronic Nose and Fast/Flash GC
PublicationThe paper presents the results of investigation on quality evaluation of agricultural distillates using a prototype of electronic nose instrument and a commercial electronic nose of Fast/Flash GC type – HERACLES II. The prototype was equipped with a set of six semiconductor sensors by FIGARO Co.. In case of the prototype volatile fraction of the agricultural distillate was prepared via barbotage process. HERACLES II analysed the...
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Drilling couples and refined constitutive equations in the resultant geometrically non-linear theory of elastic shells
PublicationIt is well known that distribution of displacements through the shell thickness is non-linear, in general. We introduce a modified polar decomposition of shell deformation gradient and a vector of deviation from the linear displacement distribution. When strains are assumed to be small, this allows one to propose an explicit definition of the drilling couples which is proportional to tangential components of the deviation vector....
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Application of the Murnaghan model in analysis of non-linear elastic material properties of pvc-coated fabric
PublicationW pracy omówiono proces identyfikacji parametrów materiałowych dla wybranej tkaniny technicznej typu Panama. Zaproponowano metodę identyfikacji nieliniowo sprężystych właściwości tkaniny Panama dla modelu Murnaghan'a. Określono zakres stosowalności nieliniowo sprężystych parametrów, w oparciu o doraźną wytrzymałości tkaniny na rozciąganie, która poddana redukcji określa tzw. wytrzymałość długoterminową. Opisano doświadczenia niezbędne...
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FE analysis of strain localization in concrete in elasto-plasticity and damage mechanics with non-local softening
PublicationW artykule przedstawiono wyniki symulacji numerycznych zjawiska lokalizacji odkształceń w betonie wykonanaych przy zastosowaniu metody elementów skończonych (MES). Do opisu betonu wykorzystano dwa prawa materiałowe zdefiniowane w ramach teorii plastyczności (kryterium Druckera-Pragera w ściskaniu i warunek Rankine'a w rozciąganiu) oraz mechaniki uszkodzeń w sformułowaniu odkształceniowym. Dla poprawnego opisu lokalizacji (regularyzacji...
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NO-BROADCASTING OF NON-SIGNALLING BOXES VIA OPERATIONS WHICH TRANSFORM LOCAL BOXES INTO LOCAL ONES
PublicationWe deal with families of probability distributions satisfying non-signalling condition, called non-signalling boxes and consider a class of operations that transform local boxes into local ones (the one that admit LHV model). We prove that any operation from this class cannot broadcast a bipartite non-local box with 2 binary inputs and outputs. We consider a function called anti-Robustness which can not decrease under these operations....
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Comparison of buckling resistance of columns modelled by beam and shell elements using non-linear analysis
PublicationThe aim of the paper is to investigate the stability process in the axially compressed columns modelled by beam and shell elements using static and dynamic finite element analysis by taking both the geometric and material non-linearity into account. The perfect columns and columns with geometric imperfections were analysed. The differences between the results of static and dynamic analyses in shell and beam models were discussed.
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UCIĄŻLIWOŚĆ ZAPACHOWA Z WYSYPISKA ŚMIECI MONITOROWANA ZA POMOCĄ RÓŻNYCH TYPÓW ELEKTRONICZNEGO NOSA
PublicationPrzedstawiono wyniki badań klasyfikacji próbek powietrza atmosferycznego pobranych wokół miejskiego wysypiska śmieci pod kątem uciążliwości zapachowej. Badania przeprowadzono przy pomocy prototypu elektronicznego nosa i komercyjnego elektronicznego nosa typu Fast/Flash GC - HERACLES II. Prototyp był wyposażony w zestaw sześciu półprzewodnikowych czujników firmy FIGARO. Klasyfikację próbek powietrza w zależności od kierunku pobrania...
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IDENTIFICATION OF ODOR OF VOLATILE ORGANIC COMPOUNDS USING CLASSICAL SENSORY ANALYSIS AND ELECTRONIC NOSE TECHNIQUE
PublicationThe paper compares two methods of analysis of odour of volatile organic compounds: classical sensory analysis and electronic nose technique. Eight volunteers participated in the classical sensory analysis investigations, which lasted two weeks. An instrumental odour analysis involved a prototype of 6-sensor electronic nose designed by the authors. The research performed with this device provided higher reproducibility and reliability...
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Non-linear behaviour of base-isolated building supported on flexible soil under damaging earthquakes
PublicationSeismic isolation is a strategy to reduce damage of structures exposed to devastating earthquake excitations. Isolation systems, applied at the base of buildings, lower the fundamental frequency of the structure below the range of dominant frequencies of the ground motion as well as allow to dissipate more energy during structural vibrations. The effectiveness of the base-isolated buildings in damage reduction has been confirmed...
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Pestycydy : los środowiskowy i metodyki oznaczania w próbkach płodów rolnych i ogrodniczych
PublicationPestycydy są szeroko stosowane w rolnictwie do zwalczania owadów, szkodników, chwastów zwiększając tym samym wydajność plonów. Stanowią jednakże zagrożenie dla zdrowia konsumentów poprzez obecność toksycznych substancji aktywnych. W związku z tym stężenie pozostałości pestycydów w środowisku muszą być stale monitorowane. Procedura analityczna oznaczania pestycydów składa się z wielu etapów począwszy od pobierania i przygotowania...
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Chromatographic lipophilicity determination using large volume injections of the solvents non-miscible with the mobile phase
PublicationA new perspective in the lipophilicity evaluation through RP-HPLC is permitted by analysis of the retentionfactor (k) obtained by injecting large volumes of test samples prepared in solvents immiscible withmobile phase. The experiment is carried out on representative groups of compounds with increasedtoxicity (mycotoxins and alkaloids) and amines with important biological activity (naturally occurringmonoamine compounds and related...
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Kinematic quantification of straight-punch techniques using the preferred and non-preferred fist in taekwon-do
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Assessment of respiratory responses to emotional virtual reality stimuli with non-contact respiration monitoring system
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Financial performance under influence of credit risk in non-financial firms: evidence from Pakistan
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BHP w bibliotekach – analiza zasobów bibliograficznych baz WoS CC, Scopus i LISTA
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Reactions of NO2 with chromium(III) complexes with histamine and pyridoxamine ligands studied by the stopped-flow technique
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Poultry meat freshness evaluation using electronic nose technology and ultra-fast gas chromatography
PublicationTo ensure that chicken meat products are safe to consume, it is important to be able to reliably determine its shelf-life. To assess the applicability of ultra-fast gas chromatography and electronic nose technology in evaluation of poultry, an analysis of the headspace of ground chicken meat samples refrigerated over a period of 7 days was performed. Chemometric techniques were used to mine additional information from a multiparametric...
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Non-Linear Analysis of Structures Utilizing Load-Discretization of Stiffness Matrix Method with Coordinate Update
PublicationThis paper proposes a stiffness method based structural analysis algorithm for geometrically non-linear structures. In this study, the applied load on the joints has been discretized to a sequence of a few loadings applied. Each loading step produces incremental external nodal displacements, which are added to the corresponding coordinates to get a new geometrical shape of the structure. This process is iteratively repeated until...
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Tetrahedrally modified MnMe0.1Co1.9O4 (Me = Zn, Mg, Li) spinels for non-enzymatic glucose sensing
PublicationIn this work, tetrahedrally modified MnMe0.1Co1.9O4 (Me = Zn, Mg, Li) spinels were prepared via the sol–gel synthesis method with subsequent ball-milling fragmentation. The prepared samples were evaluated as glucose–sensing catalyst. The reference MnCo2O4 spinel exhibited a sensitivity of 49 µA mM−1 cm−2 and a nonlinearity error of 5.2% in the response range from 0.02 to 1 mM. The partial substitution of cobalt in the reference...
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From the pills to environment – Prediction and tracking of non-steroidal anti-inflammatory drug concentrations in wastewater
PublicationThe extend of environment pollution by pharmaceuticals is in a stage that required more automatic and integrated solutions. The non-steroidal anti-inflammatory drugs (NSAIDs) are one of the most popular pharmaceutical in the world and emerging pollutants of natural waters. The aim of the paper was to check the correlation of the sales data of selected NSAIDs (ibuprofen, naproxen, diclofenac) and their concentration in the WWTP...
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Load path sensitivity and multiaxial fatigue life prediction of metals under non-proportional loadings
PublicationEngineering components often operate under complex loadings, in which the variable amplitude multiaxial stresses are raised by geometric discontinuities including holes, grooves, fillets and shoulders, etc. Besides, the non-proportional loading will lead to the rotation of maximum principal stress/strain and additional fatigue damage of structural elements in service. Consequently, the multiaxial and non-proportional loading have...
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Study of Non-Newtonian biomagnetic blood flow in a stenosed bifurcated artery having elastic walls
PublicationFluid structure interaction (FSI) gained attention of researchers and scientist due to its applications in science felds like biomedical engineering, mechanical engineering etc. One of the major application in FSI is to study elastic wall behavior of stenotic arteries. In this paper we discussed an incompressible Non-Newtonian blood fow analysis in an elastic bifurcated artery. A magnetic feld is applied along x direction. For...
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An Extended Control of the Input Angle for Matrix Converters Connected with the Non-Unity Power Factor Loads.
PublicationThis paper proposes a novel PWM modulation algorithm for Multiphase Conventional Matrix Converters (MCMC), with 3 inputs and k outputs, using the transfer function of the load angle. The proposed approach extends the range of power angle control at the input during the operation with a maximum voltage transfer ratio. The proposed concept is based on the Direct Analytic Voltage PWM (DAV--PWM) modulation with an elliptical trajectory...
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Transcriptional profile of in vitro expanded human epidermal progenitor cells for the treatment of non-healing wounds
PublicationBackground Epidermal progenitor cells (EPCs) have been under extensive investigation due to their increasing potential of application in medicine and biotechnology. Cultured human EPCs are used in the treatment of chronic wounds and have recently became a target for gene therapy and toxicological studies. One of the challenges in EPCs culture is to provide a high number of undifferentiated, progenitor cells displaying high viability...
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Discrimination of selected fungi species based on their odour profile using prototypes of electronic nose instruments
PublicationThe paper presents practical application of an electronic nose technique to fast and efficient discrimination of the samples of different fungi species such as: Penicillium chrysogenum, Cladosporium herbarum, Rhizopus oryzae, Alternaria alternata. Two prototypes of electronic nose instrument were utilized for investigation of discrimination capability with respect to odour profile of these fungi: the first prototype was based on...
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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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ON ESTIMATION OF OCCUPANT SAFETY IN VEHICULAR CRASHES INTO ROADSIDE OBSTACLES USING NON-LINEAR DYNAMIC ANALYSIS
PublicationThe article describes a comparison of two general methods of occupants safety estimation based on a numerical examples. The so-called direct method is mainly based on the Head Injury Criterion of a crash test dummy in a vehicle with passive safety system while the indirect method uses a European standards approach to estimate impact severity level. Numerical simulations in LS-DYNA have been conducted.
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A non-adiabatic wavepacket dynamical study of the low energy chargetransfer process in the S3+ + H collision
PublicationThe collisional system S3+ + H?S2+ + H+ has been studied using a time-dependent wavepacket methodologyin two-dimensions. Using available potential energy surfaces and coupling matrix elementsobtained from multireference ab initio calculations, five non-adiabatically coupled electronic states of1P symmetry have been included in the dynamical simulations. The collision has been studied in thelow energy regime of 1-10 eV. The wavepacket...
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Machine Learning Applied to Aspirated and Non-Aspirated Allophone Classification—An Approach Based on Audio "Fingerprinting"
PublicationThe purpose of this study is to involve both Convolutional Neural Networks and a typical learning algorithm in the allophone classification process. A list of words including aspirated and non-aspirated allophones pronounced by native and non-native English speakers is recorded and then edited and analyzed. Allophones extracted from English speakers’ recordings are presented in the form of two-dimensional spectrogram images and...
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Evaluation of the use of reindeer droppings for monitoring essential and non-essential elements in the polar terrestrial environment
PublicationExcess or toxic metals, non-metals and metalloids can be eliminated from the organism by deposition in inert tissue (e.g. fur) or excretion with body secretions, urine and faeces. Droppings are one of the main routes for the elimination of multiple elements and they can be collected without direct contact with the animal. Contaminant concentration has been examined in non-lethally collected tissues of several species (especially...
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Investigations on the removal of hydrophobic odorous volatile organic compounds by biotrickling filtration monitored with electronic nose
PublicationThe presented paper presents the results of research on the removal of selected hydrophobic volatile organic compounds (VOCs) from their mixture with air by means of a trickled-bed biofiltration. The efficiency of the removal of toluene and α-pinene, as model VOCs, in a three-section biotrickling filter is evaluated using GCFID and additionally monitored with an electronic nose. The results show that the removal of the model mixture...
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Opioid Growth Factor and its Derivatives as Potential Non-toxic Multifunctional Anticancer and Analgesic Compounds
PublicationIn this paper, we review the structure-activity relationship of OGF and its analogues. We highlight also OGF derivatives with analgesic, immunomodulatory activity and the ability to penetrate the blood-brain barrier and may be used as safe agents enhancing chemotherapy efficacy and improving quality of life in cancer patients. The reviewed papers indicate that Met-enkephalin and its analogues are interesting candidates for the...
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The non-invasive evaluation of heart function in patients with an acute myocardial infarction: The role of impedance cardiography
PublicationBackground: The purpose of this study was to analyze hemodynamic changes in patients treated with percutaneous coronary intervention (PCI) at an early stage of acute myocardial infarction (AMI) and at one-month follow-up. Methods: Patients with AMI (n = 27) who underwent PCI were analyzed using impedance cardiography (ICG). ICG data were collected continuously (beat by beat) during the whole PCI procedure and thereafter at every...
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A non-quasi-static small-signal model of the four-terminal MOSFET for radio and microwave frequencies.
PublicationW pracy zaprezentowano nowy małosygnałowy model tranzystora MOS, w którymuwzględnia się efekt nasycenia prędkości nośników. Model jest spójny fizycznie i może być stosowany w analizie dowolnej konfiguracji włączenia tranzystora.
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Nieliniowy model matematyczny transformatora trójfazowego = Non-linear mathematical model of a three-phase transformer
PublicationPrzedstawiono model transformatora trójfazowego o rdzeniu trójkolumnowym, który zawiera układ rów-nań opisujących obwód magnetyczny oraz oddzielnie układ równań obwodu elektrycznego. Wydzielenie re-luktancji elementów rdzenia umożliwia uwzględnienie zmian względnej przenikalności magnetycznej w funkcji bieżącej wartości strumienia w rdzeniu. Re-luktancje odpowiadające strumieniom rozproszenia obliczono wg zasad klasycznych. Funkcję...
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Analytical and experimental determination of parameters for the non-linear viscoelastic model of earthquake-induced structural pounding
PublicationNieliniowy model lepko-sprężysty umożliwia dokładną symulację siły zderzenia w czasie oraz symulację odpowiedzi konstrukcji podatnej na zderzanie podczas trzęsień ziemi. Jednym z celów niniejszego artykułu jest wyprowadzenie wzoru na zależność pomiędzy liczbą tłumienia zderzenia (parametr wspomnianego modelu), a współczynnikiem odbicia. Kolejnym celem jest wyznaczenie zakresu wartości współczynników odbicia oraz współczynników...
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Interfacially modified LDPE/GTR composites with non-polar elastomers: From microstructure to macro-behavior
PublicationThis paper provides some new insights into the mechanism of interaction and modifications in thermoplastic composites based on low density polyethylene (LDPE), ground tire rubber (GTR) and non-polar elastomer. The composites were prepared using a co-rotating twin-screw extruder at variable LDPE/GTR ratio and constant elastomer content. Two types of commercial elastomer were applied: styrene-butadiene-styrene (SBS) block copolymers (Kraton®)...
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Juices from non-typical edible fruits as health-promoting acidity regulators for food industry
PublicationThe study verifies the possibility of application of juices from selected fruits characterized by the high antioxidant potential as natural acidity regulators with improved nutritional properties. The tested non-typical fruits included mirabelle plum, sea buckthorn and blue-berried honeysuckle. Beetroot juice whose pH is about 6.0 served as a model food product. Potentiometric titration was used to compare the efficacy of tested...
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Robust asymptotic super twisting sliding mode observer for non-linear uncertain biochemical systems
PublicationThe problem of state estimation (reconstruction of the state vector) for a given class of biochemical systems under uncertain system dynamics has been addressed in this paper. In detail, the bioreactor at a water resource recovery facility represents the considered biochemical systems. The biochemical processes taking place in the bioreactor have been modelled using an activated sludge model. Based on this model, an appropriate...
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Non-Adaptive Speed and Position Estimation of Doubly-Fed Induction Generator in Grid-Connected Operations
PublicationThe nonadaptive speed and position estimation scheme for a doubly-fed induction generator (DFIG) is presented in this article. The observer structure is based on the extension of the mathematical model of DFIG to the introduced H vector. Based on the defined H vector, the nonadaptive position and speed estimation is proposed. The Lyapunov method is extended to the practical stability theorem to stabilize the structure. The classic...
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Bridge Non-Destructive Measurements Using a Laser Scanning during Acceptance Testing: Case Study
PublicationOwing to the recent proliferation of inventory works on roads and railways, bridge acceptance tests have increased exponentially. These tests’ results are often misinterpreted owing to the use of various measuring equipment types, rendering integrated interpretation problematic. It is also problematic that adjusting the measurement method is difficult when the structure’s response to load is uncertain. Therefore, it is important...
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Non-toxic fluorine-doped TiO2 nanocrystals from TiOF2 for facet-dependent naproxen degradation
PublicationIn the present study, the photocatalytic degradation of naproxen (NPX), which is a nonsteroidal anti-inflammatory drug (NSAID), frequently detected in drinking water, was investigated. The F-doped TiO2 with defined morphology was successfully obtained from TiOF2 and applied for photocatalytic degradation under UV-vis and visible light. All samples were characterised by X-ray diffraction, scanning electron microscopy, X-ray photoelectron...
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Low-Voltage LDO Regulator Based on Native MOS Transistor with Improved PSR and Fast Response
PublicationIn this paper, a low-voltage low-dropout analog regulator (ALDO) based on a native n-channel MOS transistor is proposed. Application of the native transistor with the threshold voltage close to zero allows elimination of the charge pump in low-voltage regulators using the pass element in a common drain configuration. Such a native pass transistor configuration allows simplification of regulator design and improved performance,...
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FE-investigations on crack spacing in reinforced concrete beams within non-local continuum mechanics.
PublicationW artykule przedstawiono wyniki numerycznej analizy rozstawu rys w belkach żelbetowych przy zastosowaniu dwóch ciągłych modeli nielokalnych. Zbadano wpływ wielu różnych parametrów na rozstaw rys.
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Investigations of shear localization during granular silo flow with non-local hypoplastic Constitutive Model
PublicationW artykule przedstawiono wyniki numerycznej analizy lokalizacji odkształceń w materiałach granulowanych podczas przepływu w silosach. Obliczenia wykonano przy zastosowaniu metody elementów skończonych w podejściu ALE i mikropolarnego modelu hipoplastycznego. Pokazano wpływ szorstkości ścian silosu i zagęszczenia materiału sypkiego na typ lokalizacji.
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Modeling of shear localization during confined granular flow in silos within non-local hypoplasticity.
PublicationW artykule przedstawiono wyniki numerycznej analizy lokalizacji odkształceń w materiałach granulowanych podczas przepływu w silosach. Obliczenia wykonano przy zastosowaniu metody elementów skończonych i mikropolarnego modelu hipoplastycznego. Zastosowano podejście ALE. Pokazano wpływ szorstkości ścian silosu i zagęszczenia materiału sypkiego na typ lokalizacji.
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An elasto-plastic constitutive model with non-local softening and viscosity to describe dynamic concrete behaviour.
PublicationW artykule zaproponowano model do opisu betonu podczas dynamicznego obciążenia. Przyjęto model sprężysto-plastyczny z degradacją sztywności i nielokalnym osłabieniem rozszerzony o lepkość. Obliczenia MES dla elementów betonowych pod obciążeniem dynamicznym o różnej prędkości obciążenia porównano z doświadczeniami.
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Buckling resistance of a metal column in a corrugated sheet silo - experiments and non-linear stability calculations
PublicationThe results of experimental and numerical tests of a single corrugated sheet silo column’s buckling resistance are presented in this study. The experiments were performed in a real silo with and without bulk solid (wheat). A very positive impact of the bulk solid on the column buckling resistance occurred. The experimental results were first compared to the buckling resistance calculated by Eurocode 3 formulae. The comparison revealed that...