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Search results for: RANS SIMULATIONS
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Multicopy Suppressor Analysis of Strains Lacking Cytoplasmic Peptidyl-Prolyl cis/trans Isomerases Identifies Three New PPIase Activities in Escherichia coli That Includes the DksA Transcription Factor
PublicationConsistent with a role in catalyzing rate-limiting step of protein folding, removal of genes encoding cytoplasmic protein folding catalysts belonging to the family of peptidyl-prolyl cis/trans isomerases (PPIs) in Escherichia coli confers conditional lethality. To address the molecular basis of the essentiality of PPIs, a multicopy suppressor approach revealed that overexpression of genes encoding chaperones (DnaK/J and GroL/S),...
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Implementation of Molecular Dynamics and Its Extensions with the Coarse-Grained UNRES Force Field on Massively Parallel Systems: Toward Millisecond-Scale Simulations of Protein Structure, Dynamics, and Thermodynamics
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The impact of initial and boundary conditions on severe weather event simulations using a high-resolution WRF model. Case study of the derecho event in Poland on 11 August 2017
PublicationPrecise simulations of severe weather events are a challenge in the era of changing climate. By performing simulations correctly and accurately, these phenomena can be studied and better understood. In this paper, we have verified how different initial and boundary conditions affect the quality of simulations performed using the Weather Research and Forecasting Model (WRF). For our analysis, we chose...
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Influence of a Lighting Column in the Working Width of a W-Beam Barrier on TB51 Crash Test
PublicationRoad equipment, such as, e.g., road safety barriers and lighting columns, are subject to certification according to the EN1317 standard to be allowed for use on European roads. In engineering practice, due to the terrain conditions, there are cases where other road equipment is installed within the working width of road safety barriers. Such situations are not considered during the certification process. Hence, the aim of this...
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A New Quaternion Encryption Scheme for Image Transmission
PublicationQuaternions are hypercomplex number of rank 4. They are often applied to mechanics in three-dimensional space and considered as one of the best ways to represent rotations. In this paper a new encryption scheme, based on the rotation of data vector in three-dimensional space around another quaternion (key) is proposed. A computer-based simulation was created to analyze the potential of the proposed encryption technique.
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The Impact of New Telematics Solutions on the Safety of Railway Traffic on the Example of Modern Simulators Railway Traffic Control Devices
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An Adaptive Network Model Simulating the Effects of Different Culture Types and Leader Qualities on Mistake Handling and Organisational Learning
PublicationThis paper investigates computationally the following research hypotheses: (1) Higher flexibility and discretion in organizational culture results in better mistake management and thus better organizational learning, (2) Effective organizational learning requires a transformational leader to have both high social and formal status and consistency, and (3) Company culture and leader's behavior must align for the best learning effects....
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An Adaptive Network Model Simulating the Effects of Different Culture Types and Leader Qualities on Mistake Handling and Organisational Learning
PublicationThis paper investigates computationally the following research hypotheses: (1) Higher flexibility and discretion in organizational culture results in better mistake management and thus better organizational learning, (2) Effective organizational learning requires a transformational leader to have both high social and formal status and consistency, and (3) Company culture and leader’s behavior must align for the best learning effects....
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An algorithm to generate high dense packing of particles with various shapes
PublicationDiscrete Element Method (DEM) is one of available numerical methods to compute movement of particles in large scale simulations. The method has been frequently applied to simulate the cases of grain or bulk material as the major research issue. The paper describes a new method of generating high dense packing with mixed material of two different shape used in DEM simulation. The initial packing is an important parameter to control,...
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Personalized prediction of the secondary oocytes number after ovarian stimulation: A machine learning model based on clinical and genetic data
PublicationControlled ovarian stimulation is tailored to the patient based on clinical parameters but estimating the number of retrieved metaphase II (MII) oocytes is a challenge. Here, we have developed a model that takes advantage of the patient’s genetic and clinical characteristics simultaneously for predicting the stimulation outcome. Sequence variants in reproduction-related genes identified by next-generation sequencing were matched...
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Areas of Updraft Air Motion in an Idealised Weather Research and Forecasting Model Simulation of Atmospheric Boundary Layer Response to Different Floe Size Distributions
PublicationPresented dataset is part of a numerical modelling study focusing on the analysis of the influence of sea ice floe size distribution (FSD) on the horizontal and vertical structure of convection in the atmosphere. The total area and spatial arrangement of the up-drafts indicates that the FSD affects the total moisture content and the values of area averaged turbulent fluxes in the model domain. In fact, while convective updrafts...
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Modelowanie i symulacja zaburzeń przewodzonych z zastosowaniem programów Saber i TCad = Modeling and simulation of conducted emissions with TCad and Saber programs
PublicationPrzedstawiono symulacyjne badania porównawcze w zakresie kompatybilności elektromagnetycznej EMC modelu obwodowego przetwornicy DC-DC podwyższającej napięcie. Wskazano na specyfikę modelowania wynikającą z potrzeby przewidywania propagacji zaburzeń przewodzonych EMI w szerokim zakresie częstotliwości. Wyznaczono model układu dla symulatora Saber i porównano pomiary charakterystyki widma EMI z wynikami otrzymanymi z symulacji. Zbadano...
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Computer simulation of vibration surveillance of discretely idealised mechanical systems. Part II: Tool-workpiece vibration in a non-stationary model of the cutting process
PublicationPrzedmiotem rozważań jest problem nadzorowania drgań narzędzie-przedmiot obrabiany w procesie skrawania. Dokonano analizy obiektu badań oraz dynamiki skrawania. Utworzono niestacjonarny model obliczeniowy. Przedstawiono różne podejścia oraz przykłady symulacji komputerowych nadzorowania drgań z wykorzystaniem modelu niestacjonarnego. Bazowały one na sterowaniu optymalnym oraz sterowaniu skokową zmiana prędkości obrotowej wrzeciona....
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An insight into the mixed quantum mechanical-molecular dynamics simulation of a ZnII-Curcumin complex with a chosen DNA sequence that supports experimental DNA binding investigations
PublicationAn important aspect of research pertaining to Curcumin (HCur) is the need to arrest its degradation in aqueous solution and in biological milieu. This may be achieved through complex formation with metal ions. For this reason, a complex of HCur was prepared with ZnII, that is not likely to be active in redox pathways, minimizing further complications. The complex is monomeric, tetrahedral, with one HCur, an acetate and a molecule...
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Adjusting the Stiffness of Supports during Milling of a Large-Size Workpiece Using the Salp Swarm Algorithm
PublicationThis paper concerns the problem of vibration reduction during milling. For this purpose, it is proposed that the standard supports of the workpiece be replaced with adjustable stiffness supports. This affects the modal parameters of the whole system, i.e., object and its supports, which is essential from the point of view of the relative tool–workpiece vibrations. To reduce the vibration level during milling, it is necessary to...
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A conceptual design and numerical analysis of the mixerless urea-SCR system
PublicationIn the present study, an innovative design of the urea-selective catalytic reduction (SCR) system without conventional mixing elements was developed. The aim was to obtain a high degree of urea decomposition, and uniform ammonia distribution at the inlet to the catalyst, while minimising the liquid film deposition and keeping the compact design. The concept of the design was based on creating high turbulences and elongating...
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Modification and Optimization of the United-Residue (UNRES) Potential Energy Function for Canonical Simulations. I. Temperature Dependence of the Effective Energy Function and Tests of the Optimization Method with Single Training Proteins
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Towards temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. I: Molecular dynamics study of a pair of methane molecules in water at various temperatures
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Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
PublicationThe knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...
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Inception and Propagation of Electrical Trees in the Presence of Space Charge in HVAC Extruded Cables
PublicationThis paper presents the space charge impact on the inception and propagation of electrical trees in cross-linked polyethylene (XLPE) insulation via simulations and experimentation. A 3D finite element analysis (FEA)-based modeling is proposed to simulate electrical trees via a needle embedded on the XLPE insulation. The proposed FEA model demonstrates the influence of the space charge magnitude and polarity on the initiation of...
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IMPLEMENTATION OF THE POST-SYNODAL APOSTOLIC EXHORTATION "AMORIS LAETITIA" OF POPE FRANCIS IN THE PASTORAL CARE OF IRREGULAR SITUATIONS IN THE DIOCESE OF PŁOCK
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Efficient Gradient-Based Algorithm with Numerical Derivatives for Expedited Optimization of Multi-Parameter Miniaturized Impedance Matching Transformers
PublicationFull-wave electromagnetic (EM) simulation tools have become ubiquitous in the design of microwave components. In some cases, e.g., miniaturized microstrip components, EM analysis is mandatory due to considera¬ble cross-coupling effects that cannot be accounted for otherwise (e.g., by means of equivalent circuits). These effects are particularly pronounced in the structures in¬volving slow-wave compact cells and their numerical...
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Comment on “Anti-cooperativity in hydrophobic interactions: A simulation study of spatial dependence of three-body effects and beyond” [J. Chem. Phys. 115, 1414 (2001)]
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Molecular Simulation Study of the Potentials of Mean Force for the Interactions between Models of Like-Charged and between Charged and Nonpolar Amino Acid Side Chains in Water
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Computer simulation of vibration surveillance of discretely idealised mechanical systems. Part I: Optimal control at the energy performance index for open non-stationary systems
PublicationPraca dotyczy sposobów nadzorowania drgań mechanicznych z wykorzystanie elementów teorii sterowania, optymalizacji dynamicznej, nowoczesnych metod symulacji komputerowej oraz technik pomiarowych. Do modelowania niestacjonarnego układu sterowanego zastosowano mieszaną metodą sztywnych i odkształcalnych elementów skończonych. Opracowano metodę nadzorowania drgań w dziedzinie czasu, z wykorzystaniem sterowania optymalnego przy energetycznym...
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Principles of patients selection and safety of repetitive transcranial magnetic stimulation – position statement of the Section of Biological Psychiatry of the Polish Psychiatric Association
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Sleep assessment in obsessive-compulsive disorder treated with deep brain stimulation - double case report of morning and evening chronotype patients
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Quaternion Encryption Method for Image and Video Transmission
PublicationQuaternions are hyper-complex numbers of rank 4. They are often applied to mechanics in 3D space and are considered to be one of the best ways of representing rotations. In this paper a quaternion encryption method, based on algorithm by Nagase et al. (2004) has been proposed. According to a computer-based simulation the results of the performed research yield a high level of security, which is additionally strengthened by the...
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NUMERYCZNE MODELOWANIE HYDRODYNAMIKI JAKO NARZĘDZIE WSPOMAGANIA PROJEKTOWANIA REKREACYJNYCH I SPORTOWYCH OBIEKTÓW WODNYCH
PublicationW artykule opisano zastosowanie obliczeń numerycznych w procesie projektowania, analizy działania oraz oceny bezpieczeństwa użytkowania wodnych obiektów rekreacyjnych i sportowych. Użytkownicy aquaparków, sportowcy, a szczególnie kibice, oczekują wyjątkowych doznań na obiektach wodnych z jednoczesną gwarancją bezpieczeństwa. Na te kwestie duży wpływ ma hydrodynamika przepływu. Aby właściwie dobrać parametry geometryczne i hydrauliczne...
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The experimental evaluation and modeling of SBR removing nutrients under varied aeration conditions
PublicationSequencing batch reactors (SBR) are mainly characterized by sequential process phases of fill, react, settle, decant and idle periods that allow considerable flexibility in the design and operation in different conditions. This flexibility and the unique features of SBRs used to wastewater treatment by activated sludge systems operated in laboratory scale, allow not only conducting experiments for the standard conditions but also...
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Scaling of signed residue numbers with mixed-radix conversion in FPGA with extended scaling factor selection
PublicationA scaling technique of signed residue numbers in FPGA is proposed. The technique is based on conversion of residue numbers to the Mixed-Radix System (MRS). The scaling factor is assumed to be a moduli product from the Residue Number System (RNS) base. Scaling is performed by scaling of MRS terms, the subsequent generation of residue representations of scaled terms, binary addition of these representations and generation of residues...
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Understanding ion–ion and ion–solvent interactions in aqueous solutions of morpholinium ionic liquids with N-acetyl-L-alaninate anion through partial molar properties and molecular dynamics simulations
PublicationAmino acid ionic liquids (AAILs) provide a low toxicity, biodegradable alternative to conventional ionic liquids, while also maintaining solubility in water. Densities and sound velocities of aqueous solutions of four amino acid ionic liquids (AAILs), based on the N-alkyl-N-methylmorpholinium ([Mor1,R], R = 2, 3, 6, 8) cation and N-acetyl-L-alaninate ([N-Ac-L-Ala]) anion were measured at T = (293.15–313.15) K and at atmospheric...
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Numerical Studies on Propellers in Open Water and behind Hulls aiming to support the Evaluation of Propulsion Tests
PublicationA RANS based numerical analysis of propellers can contribute considerably to our understanding of propeller/hull interaction. It may also allow for a review of scaling procedures on results from experimental fluid dynamics (EFD). Using various RANS codes (Fluent, CFX, STAR-CCM+ and FreSCo+) on common test cases the authors first focused on propeller open water (POW) calculations. Next we simulated the propeller hull interaction...
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5G/6G optical fronthaul modeling: cost and energy consumption assessment
PublicationIn fifth generation (5G) and the future beyond 5G (6G) radio access networks (RANs), the cost of fronthaul deployment is a main challenge for mobile network operators. Depending on different constraints, there are various solutions to deploy an efficient fronthaul. Fiber-optic-based fronthaul offers long-term support with regard to a rapid increase in capacity demands. When fiber connections, either point-to-point (P2P) or point-to-multipoint...
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Scale effect in the self-propulsion prediction for Ultra Large Container Ship with contra-rotating propellers
PublicationThis article addresses the problem of the scale effect for an Ultra Large Container Ship (ULCS) with a novel twin-crp-pod propulsion system. Twin-crp-pod steering-propulsion arrangement is an innovative solution that gains from three well-known systems: twin-propeller, contra-rotating propellers and pod propulsors. It is expected that applying the twin-crp-pod system to the analysed Ultra Large Container Ship will increase propulsion...
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Recent advances in traffic optimisation: systematic literature review of modern models, methods and algorithms
PublicationOver the past few decades, the increasing number of vehicles and imperfect road traffic management have been sources of congestion in cities and reasons for deteriorating health of its inhabitants. With the help of computer simulations, transport engineers optimise and improve the capacity of city streets. However, with an enormous number of possible simulation types, it is difficult to grasp valuable, innovative solutions which...
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Accelerated multi-objective design optimization of antennas by surrogate modeling and domain segmentation
PublicationMulti-objective optimization yields indispensable information about the best possible design trade-offs of an antenna structure, yet it is challenging if full-wave electromagnetic (EM) analysis is utilized for performance evaluation. The latter is a necessity for majority of contemporary antennas as it is the only way of achieving acceptable modeling accuracy. In this paper, a procedure for accelerated multi-objective design of...
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Auto/bio/géo/graphies : les enjeux spatiaux de la mémoire dans les récits autobiographiques et testimoniaux du temps de la guerre chez Durocher, Langfus, Rawicz
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Various neuromodulation methods including Deep Brain Stimulation of the medial forebrain bundle combined with psychopharmacotherapy of treatment-resistant depression—Case report
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Analysis of pharmacotherapy regimen and costs in patients with drug-resistant epilepsy following vagus nerve stimulation therapy: a single-center study (Poland)
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Koncepcja i symulacja polowa generatora o zmiennej częstotliwości. Zastosowanie w autonomicznych systemach elektroenergetycznych = Conception and field simulations of a variable frequency generator. Application for autonomous power generation system
PublicationStreszczenie angielskie: This paper covers a conception and simulation results for a brushless synchronous generator working with variable speed in an autonomous energy generation system (e.g. airplane power grid, hybrid vehicle, micro-CHP). The papers has two parts: presentation of the generator conception used in modern autonomous energy generation systems, and simulation results using filed model elaborated in Flux2D software....
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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...
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Simulations of high-pressure fluid flow in a pre-cracked rock specimen composed of densely packed bonded spheres using a 3D CFD model and simplified 2D coupled CFD-DEM approach
PublicationW artykule zastosowano dwa różne podejścia do opisu jednofazowego przepływu płynu w wstępnie spękanej próbce skały o niskiej porowatości pod wysokim ciśnieniem. Głównym celem pracy było bezpośrednie porównanie rozkładu ciśnień, gęstości i prędkości płynów we wstępnie pękniętej próbce. Zachowanie próbki imitującej skałę zostało opisane przez gęsto upakowane połączone kohezją kulki z nakładającymi się na siebie elementami. Pierwsze...
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Bandwidth Dependence of the Propagation Channel in Circular Metallic BAN Environments
PublicationIn this paper, the bandwidth dependence of the propagation channel for Body Area Networks (BANs) in circular metallic environments is addressed and models are proposed to evaluate the appropriate short-term fading margins that should be considered as a function of the system bandwidth. The deployment of BANs in metallic indoor environments, such as ships, factories, warehouses and other similar environments, involves additional...
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Fast Multi-Objective Antenna Optimization Using Sequential Patching and Variable-Fidelity EM Models
PublicationIn this work, a technique for fast multi-objective design optimization of antenna structures is presented. In our approach, the initial approximation of the Pareto set representing the best possible trade-offs between conflicting design objectives is obtained by means of sequential patching of the design space. The latter is a stencil-based search that aims at creating a path that connects the extreme Pareto-optimal designs (obtained...
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Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field
PublicationThe physics-based united-residue (UNRES) model of proteins ( www.unres.pl ) has been designed to carry out large-scale simulations of protein folding. The force field has been derived and parameterized based on the principles of statistical-mechanics, which makes it independent of structural databases and applicable to treat nonstandard situations such as, proteins that contain D-amino-acid residues. Powered by Langevin dynamics...
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Multi-objective antenna design by means of sequential domain patching
PublicationA simple yet robust methodology for rapid multiobjective design optimization of antenna structures has been presented. The key component of our approach is sequential domain patching of the design space which is a stencil-based search that aims at creating a path that connects the extreme Pareto-optimal designs, obtained by means of single-objective optimization runs. The patching process yields the initial approximation of the...
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Investigation of mechanism of desmopressin binding in vasopressin V2 receptor versus vasopressin V1a and oxytocin receptors: Molecular dynamics simulation of the agonist-bound state in the membrane–aqueous system
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How much a geometrical model of a honeycomb seal can be simpli ed in the CFD calculation
PublicationThis paper presents the inuence of geometry simplication on the results obtained in the computational fluid dynamics simulation. The subject of simulation was part of the honeycomb seal located at the inlet to high pressure part of a steam turbine. There were three different geometrical models assumed in the calculations. First one was two-dimensional case and two others were three dimensional, one with the radius of curvature...
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Thyroid Hormones Directly Alter Human Hair Follicle Functions: Anagen Prolongation and Stimulation of Both Hair Matrix Keratinocyte Proliferation and Hair Pigmentation
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