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Nanomechanical Properties of Metallic fcc Nanorods from Molecular Simulations with the Sutton-Chen Potential
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Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations
PublicationInteraction between 2, 3, 5 and 7 atomic layers of gold and a (111) silicon surface was investigated with the molecular dynamics simulation method. The simulation of the diffusion interaction between gold and silicon in the temperature range 425-925 K has been carried out. The peculiarities of the concentration changes of the interacting components and the atomic density at the boundary...
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Application of the Monte Carlo algorithm for solving volume integral equation in light scattering simulations
PublicationVarious numerical methods were proposed for analysis of the light scattering phenomenon. Important group of these methods is based on solving the volume integral equation describing the light scattering process. The popular method from this group is the discrete dipole approximation (DDA). DDA uses various numerical algorithms to solve the discretized integral equation. In the recent years, the application of the Monte Carlo (MC)...
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A new approach to modeling of selected human respiratory system diseases, directed to computer simulations
PublicationThis paper presents a new versatile approach to model severe human respiratory diseases via computer simulation. The proposed approach enables one to predict the time histories of various diseases via information accessible in medical publications. This knowledge is useful to bioengineers involved in the design and construction of medical devices that are employed for monitoring of respiratory condition. The approach provides the...
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Towards simulations and experiments of high speed milling vibration surveillance by the spindle speed control
PublicationPraca poświęcona jest nowemu podejściu do nadzorowania drgań wirujących narzędzi we współczesnych frezarkach. Przeprowadzono analizę skrawania smukłym frezem kulistym. Jako rezultat sterowania optymlano-liniowego otrzymano program chwilowych zmian prędkości obrotowej pozwalający uzyskać redukację drgań. Metodę zweryfikowano eksperymentalnie.
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Discrete simulations of shear zone patterning in sand in earth pressure problems of a retaining wall
PublicationW artykule przedstawiono wyniki doświadczalne i teoretyczne naporu piasku na ściankę szczelną. Obliczenia wykonano stosując metodę elementów dyskretnych. Wyniki porównano z wynikami uzyskanymi metodą elementów skończonych na bazie mikropolarnego hipoplastycznego prawa materiałowego oraz z wynikami doświadczalnymi uzyskanymi metodą korelacji obrazów cyfrowych. Wykonano obszerne studia parametryczne.
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Numerical simulations of triaxial test with sand using DEM. Archives of Hydro-Engineering and Environmental
PublicationW artykule przedstawiono wyniki symulacji badania trójosiowego dlamateriałów granulowanych. Obliczenia wykonano przy zastosowaniu metodyDEM. Pokazano wpływ momentów kontaktowych na wytrzymałoć próbki. Zbadanowpływ parametrów mikroskopowych na zachowanie się materiału. Wynikiporównano z doswiadczeniami.
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Effect of steel fibres on concrete behavior in 2D and 3D simulations using lattice model.
PublicationW artykule przedstawiono wyniki numerycznej symulacji betonu zbrojonego włóknami stalowymi. Beton został opisany w skali mezo jako materiał 3-fazowy przy zastosowaniu modelu sieciowego. Obliczenia wykonano dla rozciągania jednoosiowego. Porównano ze sobą wyniki dwu- i trójwymiarowe.
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Numerical simulations of localization of deformation in quasibrittle materials within non-local softening plasticity.
PublicationW artykule przedstawiono model sprężysto-plastyczny z nielokalnym osłabieniem do obliczeń lokalizacji odkształceń w materiałach kruchych. Analizę przeprowadzono dla jednoosiowego ściskania i rozciągania. Obliczenia wykonano dla różnych długości charakterystycznych.
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Interactions of N-alkyl-N-methylmorpholinium based ionic liquids with acetonitrile studied by density and velocity of sound measurements and molecular dynamics simulations
PublicationMorpholinium-based ionic liquids (ILs) and their mixtures with polar co-solvents are an interesting class of emerging electrolytes in electrochemistry that is relatively poorly studied. In this work, densities and sound velocities of four ILs, N-ethyl-N-methylmorpholinium tetrafluoroborate, N-butyl-N-methylmorpholinium tetrafluoroborate, N-octyl-N-methylmorpho-linium tetrafluoroborate and N-decyl-N-methylmorpholinium tetrafluoroborate...
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Load-carrying capacity and state of effort of tubes made of glass and basalt fibre reinforced polymer filled with concrete
PublicationOpisano badania eksperymentalne słupów wykonanych z rur polimerowych zbrojonych włóknami szklanymi i bazaltowymi. Część rur wypełniano wewnątrz betonem. Słupy z wypełnieniem niszczyły się w sposób powolny, wykazując wysoką nośność pokrytyczną, podczas gdy słupy z rur pustych niszczyły się w sposób gwałtowny, niesygnalizowany. Nośności uzyskane eksperymentalnie porównano do nośności obliczonych teoretycznie na podstawie procedur...
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Restructuring of CHP utilities as a way of power system capacity increase as well as economic and ecological characteristics improvement systems.
PublicationPrywatyzacja polskiego rynku energii elektrycznej i cieplnej spowoduje zmiany w elektrociepłowniach i elektrowniach przemysłowych. Rezultatem modernizacji są zmiany ekonomiczne i ekologiczne. Przedstawiono możliwość zmniejszenia emisji związków siarki i zwiększenie sprawności elektrowni poprzez dobudowanie do układu konwencjonalnego zespołu turbin gazowych opalanych gazem naturalnym.
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Automated high-capacity sorption probe for extraction of organic compounds in aqueous samples followed by gas chromatographic analysis.
PublicationOpracowano zautomatyzowany zestaw wyposażony w próbnik o dużej pojemności sorpcyjnej do oznaczania związków śladowych z zastosowaniem chromatografii gazowej. Zestaw łączy prostotę SPME z wysoką wydajnością techniki ekstrakcji z zastosowaniem ruchomego elementu sorpcyjnego (SBSE). Procedura pobierania próbek była przeprowadzana z zastosowaniem podajnika automatycznego. Ze względu na pełną automatyzację zestawu, możliwa jest bezobsługowa...
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A robust optimization model for affine/quadratic flow thinning: A traffic protection mechanism for networks with variable link capacity
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Towards a modification of a regulatory framework aiming at bunker oil spill prevention from ships - A design aspect of bunker tanks vents location guided by CFD simulations
PublicationAlthough accidental bunker oil spills at seaway are relatively rare events, they can be pose real threat to the natural marine environment. One of the reasons for the bunker spill to occur is a design failure; one of the ways it can demonstrate is an improper location or height of vent heads, leading to a bunker oil discharge during heavy rolling, due to sloshing phenomenon. Design of a ship and her systems is guided by various...
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Shape Memory and Superelasticity
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Towards Temperature Dependent Coarse-grained Potential of Side-chain Interactions for Protein Folding Simulations
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UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics
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Simulations of freshwater lens recharge and salt/freshwater interfaces using the HYDRUS and SWI2 packages for MODFLOW
PublicationThe paper presents an evaluation of the combined use of the HYDRUS and SWI2 packages for MODFLOW as a potential tool for modeling recharge in coastal aquife rs subject to saltwater intrusion. The HYDRUS package for MODFLOW solves numerically the one-dimensional form of the Richards equation describing water flow in variably- saturated media. The code computes groundwater recharge to or...
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Experimental and numerical simulations of flow and heat transfer in heatexchanger elements using liquid crystal thermography.
PublicationPrzedstawienie koncepcji badań eksperymentalnych i numerycznych oraz ich wyników podczas wymiany ciepła w modelach klasycznych i płytowych wymienników ciepła w warunków przepływów przejściowych i turbulentnych.
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Approximate analytical boundary conditions for efficient finite difference frequency domain simulations in cylindrical coordinates
PublicationW artykule zaprezentowano prostą technikę analizy rezonatora otwartego. Algorytm łączy w sobie metodę różnic skończonych i rozwinięć funkcyjnych , umożliwiając implementację warunków brzegowych symulujących otwartą przestrzeń. Metoda testowana była w analizie rezonatorów o różnych wymiarach,a otrzymane wyniki dobrze zgadzały się z rezultatami innych metod.
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Measurements of glucose content in scattering media with time-of-flight technique: comparison with Monte Carlo simulations.
PublicationZbadano możliwości pomiaru koncentracji glukozy w materiale silnie rozpraszającym światło z wykorzystaniem techniki czasu przelotu. Badania przeprowadzono wykorzystując ''Intralipid'' będącym fantomem tkanki. Stężenie glukozy wynosiło 100, 200, 300, 500, 1000, 2000,4000 lub 8000 mg/dl. Wyniki pomiarów porównano z wynikami uzyskanymi na drodze modelowania matematycznego.
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Comparison of Absorbed and Intercepted Fractions of PAR for Individual Trees Based on Radiative Transfer Model Simulations
PublicationThe fraction of absorbed photosynthetically active radiation (fAPAR) is a key parameter for estimating the gross primary production (GPP) of trees. For continuous, dense forest canopies, fAPAR, is often equated with the intercepted fraction, fIPAR. This assumption is not valid for individual trees in urban environments or parkland settings where the canopy is sparse and there are well-defined tree crown boundaries. Here, the distinction...
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Improved-Efficacy EM-Based Antenna Miniaturization by Multi-Fidelity Simulations and Objective Function Adaptation
PublicationThe growing demands for integration of surface mount design (SMD) antennas into miniatur-ized electronic devices have been continuously imposing limitations on the structure dimen-sions. Examples include embedded antennas in applications such as on-board devices, picosatel-lites, 5G communications, or implantable and wearable devices. The demands for size reduction while ensuring a satisfactory level of the electrical and field...
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FE-simulations of dynamic shear localization in granular bodies using an Arbitrary Lagrangian-Eulerian formulation.
PublicationW artykule przedstawiono wyniki symulacji lokalizacji odkształceń w materiałach granulowanych. Obliczenia wykonano przy zastosowaniu nielokalnego modelu hipoplastycznego dla 2 różnych problemów: sciskania dwuosiowego i przepływu silosowego. W obliczeniach wykorzystano sformułowanie ALE.
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Mathematical Models and Computer Simulations
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Influence of Installation Effects on Pile Bearing Capacity in Cohesive Soils – Large Deformation Analysis Via Finite Element Method
PublicationIn this paper, the whole process of pile construction and performance during loading is modelled via large deformation finite element methods such as Coupled Eulerian Lagrangian (CEL) and Updated Lagrangian (UL). Numerical study consists of installation process, consolidation phase and following pile static load test (SLT). The Poznań site is chosen as the reference location for the numerical analysis, where series of pile SLTs...
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Contribution of phenolic acids isolated from green and roasted boiled-type coffee brews to total coffee antioxidant capacity
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Finite element modeling of plastic hinges based on ductility demand-capacity method using nonlinear material for dynamic analysis
PublicationThe article discusses modeling plastic hinges in reinforced concrete interme-diate supports using finite elements methods. The ductility demand-capacitymethod was used to determine the geometrical parameters of cross-section plas-ticization zones, their ability to move and rotate, as well as their ductility. Dueto the varied geometry and stiffness of the supports and their nonlinear behav-ior under dynamic load, this method was...
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Farzin Kazemi Ph.D. Student at Gdansk University of Technology
PeopleHis main research areas are seismic performance assessment of structures and seismic hazard analysis in earthquake engineering. He performed a comprehensive study on the effect of pounding phenomenon and proposed modification factors to modify the seismic collapse capacity of structures or predict the seismic collapse capacity of structures which were retrofitted with linear and nonlinear Fluid Viscous Dampers (FVDs). His current...
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Activity of Polish unifloral honeys against pathogenic bacteria and its correlation with colour, phenolic content, antioxidant capacity and other parameters.
PublicationThe use of honey as an antimicrobial agent gains importance due to often ineffectiveness of conventional treatment. However, activity of honey depends mainly on its botanical and geographical origin. To date, antimicrobial potential of Polish honeys has not yet been entirely investigated. In this study, 37 unifloral samples of 14 honey types (including rare varieties) from Poland were analysed and compared with manuka honey. The...
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(1→3)-α-d-Glucooligosaccharides Increase the Killing Capacity of NK Cells against Selected Human Colon Cancer Cells
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Verification of geotechnical numerical simulations by model tests using PIV technique. Part II Numerical Simulation
PublicationPrzedstawiono zakres i wyniki symulacji numerycznych stateczności fundamentów bezpośrednich posadowionych w sąsiedztwie kątowych ścian oporowych. Wyniki symulacji numerycznych zweryfikowano na podstawie wyników badań modelowych z uwzględnieniem techniki PIV przedstawionych w części I niniejszego artykułu. W obliczeniach numerycznych wykorzystano trzy kryteria wytrzymałości gruntu na ścinanie: Coulomba - Mohra, Matsuoki - Nokaiego...
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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
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UNRES-Dock—protein–protein and peptide–protein docking by coarse-grained replica-exchange MD simulations
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Use of Innovative and Advanced Computer Simulations of Chemical Speciation of Heavy Metals in Soils and Other Environmental Samples
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Experiments and Numerical Simulations of the Annealing Temperature Influence on the Residual Stresses Level in S700MC Steel Welded Elements
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Collagen Type II—Chitosan Interactions as Dependent on Hydroxylation and Acetylation Inferred from Molecular Dynamics Simulations
PublicationChitosan–collagen blends have been widely applied in tissue engineering, joints diseases treatment, and many other biomedical fields. Understanding the affinity between chitosan and collagen type II is particularly relevant in the context of mechanical properties modulation, which is closely associated with designing biomaterials suitable for cartilage and synovial fluid regeneration. However, many structural features influence...
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Conformational Studies of Two Bradykinin Antagonists by Using Two-dimensional NMR Techniques and Molecular Dynamics Simulations
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Molecular simulations study of ligand-release mechanism in an odorant-binding protein from the southern house mosquito
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Experimental and numerical simulations of flow and heat transfer in heat exchanger elements using liquid crystal thermography.
PublicationW artykule przedstawiono założenia oraz sposób prowadzenia eksperymentu i obliczeń numerycznych wymiany ciepła w modelu wymiennika ciepła przy użyciu termografii ciekłokrystalicznej.
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A study on microcrack monitoring in concrete: discrete element method simulations of acoustic emission for non-destructive diagnostics
PublicationThe research is focused on the monitoring of fracture evolution in concrete beams under three-point bending using the acoustic emission technique and the discrete element method. The main objective of the study was to numerically and experimentally investigate the mechanism behind the generation of elastic waves during acoustic emission events and their interaction with micro- and macro-cracking in concrete beams under monotonic...
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Local response surface approximations and variable-fidelity electromagnetic simulations for computationally efficient microwave design optimisation
PublicationIn this study, the authors propose a robust and computationally efficient algorithm for simulation-driven design optimisation of microwave structures. Our technique exploits variable-fidelity electromagnetic models of the structure under consideration. The low-fidelity model is optimised using its local response surface approximation surrogates. The high-fidelity model is refined by space mapping with polynomial interpolation of...
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Simulations of hydro-fracking in rock mass at meso-scale using fully coupled DEM/CFD approach
PublicationThe paper deals with two-dimensional (2D) numerical modelling of hydro-fracking (hydraulic fracturing) in rocks at the meso-scale. A numerical model was developed to characterize the properties of fluid-driven fractures in rocks by combining the discrete element method (DEM) with computational fluid dynamics (CFD). The mechanical behaviour of the rock matrix was simulated with DEM and the behaviour of the fracturing fluid flow...
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3D DEM simulations of monotonic interface behaviour between cohesionless sand and rigid wall of different roughness
PublicationArtykuł omawia wyniki metodą elementów dyskretnych (DEM) dotyczace zachowania się strefy kontaktu między bezkohezyjnym piaskiem a sztywną scianą o różnej szorstkości. Obliczenia wykonano dla dla różnej wysokości, nachylenia i rozstawu rowków wzdłuż sciany, które symulowały jej szorstkość. W symulacjach zmieniano dodatkowo ciśnienie pionowe i początkowy wskaźnik porowatosci piasku. Nacisk położono na wpływ szorstkości na mobilizowany...
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Detection of cellulose production capacity of recombinant Escherichia coli strains BL21(DE3) and AAEC191A
Open Research DataBacteria that form biofilms generate an extracellular matrix (ECM), where cellulose stands out as a key constituent. An approach for assessing microorganisms' cellulose production involves using calcofluor white staining on colonies. In this method, a fluorescent dye (calcofluor-white) is introduced to a stable YESCA substrate composed of casamino acids,...
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Detection of cellulose production capacity of recombinant Escherichia coli strains BL21(DE3) and AAEC191A
Open Research DataBacteria that form biofilms generate an extracellular matrix (ECM), where cellulose stands out as a key constituent. An approach for assessing microorganisms' cellulose production involves using calcofluor white staining on colonies. In this method, a fluorescent dye (calcofluor-white) is introduced to a stable YESCA substrate composed of casamino acids,...
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Detection of cellulose production capacity of recombinant Escherichia coli strains BL21(DE3) and AAEC191A
Open Research DataBacteria that form biofilms generate an extracellular matrix (ECM), where cellulose stands out as a key constituent. An approach for assessing microorganisms' cellulose production involves using calcofluor white staining on colonies. In this method, a fluorescent dye (calcofluor-white) is introduced to a stable YESCA substrate composed of casamino acids,...
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Detection of cellulose production capacity of recombinant Escherichia coli strains BL21(DE3) and AAEC191A
Open Research DataBacteria that form biofilms generate an extracellular matrix (ECM), where cellulose stands out as a key constituent. An approach for assessing microorganisms' cellulose production involves using calcofluor white staining on colonies. In this method, a fluorescent dye (calcofluor-white) is introduced to a stable YESCA substrate composed of casamino acids,...
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Shear fracture of longitudinally reinforced concrete beams under bending using Digital Image Correlation and FE simulations with concrete micro-structure based on X-ray micro-computed tomography images
PublicationThe paper presents experimental and numerical investigations of the shear fracture in rectangular concrete beams longitudinally reinforced with steel or basalt bar under quasi-static three point bending. Shear fracture process zone formation and development on the surface of beams was investigated by Digital Image Correlation (DIC) whereas thorough analyses of 3D material micro-structure, air voids, width and curvature of shear...