Search results for: absolute%20configuration
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Adiabatic potential energy curves of the triplet Pi and Delta ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi and Delta ungerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries triplet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the singlet Pi ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi ungerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry singlet Pi ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi and Delta gerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries singlet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the five excited states of the symmetry triplet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi gerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry triplet Pi gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Numerical tests of time-stepping schemes in the context of FEM for 6-field shell dynamics
PublicationThe paper deals with integration of dynamic equations of irregular shells performed with relatively long time steps. Numerical instability appearing often in this kind of analysis motivated the authors to present some studies based on numerical tests referring to convergence problems of finite element analysis as well the applied stability conditions. The analysis is carried out on simulations of shell dynamics with the where the...
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237Np Mössbauer effect study on NpFeAsO
PublicationWe report 237Np Mössbauer measurements on NpFeAsO. The Np atoms were found to occupy only one crystallographic site. The value of the isomer shift (δ ∼ 9.1 mm s−1 versus NpAl2) indicates a 5f4 electronic configuration (Np3+ ions). The magnetic ordering of the Np sublattice below 60 K is established and the saturated ordered magnetic moment is determined to be 1.73μB at 3.6 K. The unique set of hyperfine parameters exclude a modulated...
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Ultrasonic diagnostics of concrete T-beams used in bridge structures
PublicationThis paper describes a method of ultrasonic diagnostics used for prefabricated concrete elements. The studies are focused on the applicability of nondestructive techniques based on impulse and wave packet induced elastic waves for the condition assessment of T-shaped bridge beams. Experimental tests were performed for the prestressed beam used for the superstructure of the viaduct on A1 highway near Toruń. In addition numerical...
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A Trisection Filter Design With Negative Slope of Frequency-Dependent Crosscoupling Implemented in Substrate Integrated Waveguide (SIW)
PublicationThis letter reports on a novel realization of a microwave bandpass filter in a triplet configuration with a frequency-dependent crosscoupling implemented in substrate integrated waveguide (SIW). The design involves implementing dispersive coupling with a negative slope, a feature that allows the capabilities of the classic triplet topology to be extended. In this particular case, the implementation of two transmission zeros on...
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Coupled-Resonator Waveguide Filter in Quadruplet Topology With Frequency-Dependent Coupling - A Design Based on Coupling Matrix
PublicationThis letter presents an application of a recently developed coupling matrix synthesis technique to design of coupled-resonator filters with dispersive inter-resonator couplings. This technique is used to design a novel coupled-cavity bandpass filter. Measurements validate the design and confirm effectiveness of the synthesis method. The filter is a four-pole generalized Chebyshev filter with three transmission zeros. Resonators...
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Novel 5.1 Downmix Algorithm with Improved Dialogue Intelligibility
PublicationA new algorithm for 5.1 to stereo downmix is introduced, which addresses the problem of dialogue intelligibility. The algorithm utilizes proposed signal processing algorithms to enhance the intelligibility of movie dialogues, especially in difficult listening conditions or in compromised speaker setup. To account for the latter, a playback configuration utilizing a portable device, i.e. an ultrabook, is examined. The experiments...
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An adaptive approach to non-destructive evaluation (NDE) of cast irons containing precipitated graphite particles with the help of magnetoacoustic emission
PublicationPhysical properties of cast irons strongly depend on both their microstructure and the presence of casting defects. The paper analyses the possibility of application of magnetoacoustic emission (MAE) for nondestructive detection of flawed cast iron components. The investigated samples containing dross, chunky graphite and lamellar graphite were compared with the reference, flawless, spheroidal cast iron sample. The optimisation...
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Effect of the ionic liquids on extraction of aromatic and sulfur compounds from the model petrochemical stream
PublicationSuitability of a imidazolium ionic liquids (ILs) as solvents in dearomatization and desulfurization in the ternary systems and in a model multicomponent systems has been analyzed. With this aim, ternary liquid-liquid phase equilibrium data (LLE) have been obtained for ternary mixtures of {IL + benzene, or toluene, or thiophene, or 2-butanethiol + hexane}, or {IL + benzene + 2-methylpentane} at T = 298.15 K and ambient pressure,...
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Online Volatile Compound Emissions Analysis Using a Microchamber/Thermal Extractor Coupled to Proton Transfer Reaction-Mass Spectrometry
PublicationIndoor air is a complex and dynamic mixture comprising manifold volatile organic compounds (VOCs) that may cause physiological and/or psychological discomfort, depending on the nature of exposure. This technical note presents a novel approach to analyze VOC emissions by coupling a microchamber/thermal extractor (μ-CTE) system to a proton transfer reaction-mass spectrometer (PTR-MS). This configuration provides an alternative to...
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Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study
PublicationThe variable configuration of Raman spectroscopic platforms is one of the major obstacles in establishing Raman spectroscopy as a valuable physicochemical method within real-world scenarios such as clinical diagnostics. For such real world applications like diagnostic classification, the models should ideally be usable to predict data from different setups. Whether it is done by training a rugged model with data from many setups...
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Isotope shifts of multipole lines of Pb I and Pb II
PublicationStudies of isotope shifts of three multipole lines between levels of the ground configuration 6s26p2 of Pb I, i.e.: 461.9 nm(1S0→3P1), 531.5 nm(1S0→3P2) and 733.2 nm(1D2→3P1), as well as 710.2 nm line (6s26p2P3∕2→6s26p2P1∕2) of Pb II are presented. We determined the isotope shifts between four stable isotopes: 204, 206, 207, 208. By the use of King plot analysis we were able to separate the mass and the field shifts. We found that...
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Expert systems in quality control of manufacturing processes
PublicationThe paper deals with quality control in conditions of computer integrated manufacturing (CIM). It shows that quality of material stream items have to be analyzed on every stage of manufacturing process. Collecting and analyzing quantity of data with usage of expert systems make it possible to create a system for coordination of cell's work. The system contains error recovery algorithm and adaptive control subsystem based on fuzzy...
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Description Logic As A Common Software Engineering Artifacts Language
PublicationDescription logic is proposed as a powerful language able to support chosen software engineering process tasks like: requirements engineering, software architecture definition, software design and configuration management. To do this there is presented a correspondence between description logic and UML. Description logic based integrated software engineering process framework is proposed which owing to automatic knowledge inferring...
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Efficiency of Wastewater Treatment in Single-Family Constructed Wetlands in Kaszuby Lake District
PublicationIn the paper results of investigation upon three different configurations of single family treatment wetlands were presented. It was indicated that the application of treatment wetlands for single family effluent is a effective and sustainable solution for wastewater treatment in the rural areas. In spite of the receiving higher concentration of pollutants in comparison to the TWs operated in Europe and USA analysed TWs ensure...
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Control design for slow speed positioning
PublicationThe problem under study is a synthesis of position and heading control system for low frequency model of surface vessel described by 3 DOF mathematical model. The recursive vectorial backstepping control design was used to keep fixed position and heading in presence of wave disturbances. The controller has been simulated on computer model of scaled supply vessel. It has been assumed that the actuators produce generalized forces...
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On phase equilibrium of an elastic liquid shell with wedge disclination
PublicationBased on the six-parameter shell theory we consider the phase equilibrium of a two-phase liquid membrane containing a wedge disclination. The considered problems are related to modelling of phase transitions in biological or lipid membranes. In order to capture the membrane behaviour we consider a special case of elastic shells which energy is invariant under major transformations of a reference configuration and can be treated...
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On thio‐substituted N‐heterocyclic arsines
PublicationMetathesis of N-heterocyclic chloroarsines with sulfur-based nucleophiles furnished thio-substituted 1,3,2-diazarsolidines and 1,3,2-diazarsolenes. Crystallographic and NMR spectroscopic studies revealed that a thiocyanato-diazarsolene exhibits a salt-like structure composed of weakly interacting thiocyanate and arsenium ions, while the remaining products formed neutral molecules. The structural data indicate that the heterocyclic...
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Numerical investigation on the performance of a small counter-rotating wind turbine
PublicationThe article presents the results of the investigation on the performance of a small counter-rotating wind turbine. The wind turbine has been simulated using Computational Fluid Dynamics methods. Actuator Line Model has been successfully used to represent rotors in the computational domain. A parametric study has been carried out, taking into account changes in the tip speed ratio of the rotors while maintaining a constant distance...
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KONFIGURACJA SIECI LAN TYPU SOHO DO PRACY W INTERNECIE IPv6
PublicationArtykuł przedstawia podstawowe problemy występujące przy migracji środowisk małych sieci do obsługi protokołu IPv6. Wraz z problemami przedstawione zostały propozycje metodologii przeprowadzenia migracji i narzędzia wspomagające ten proces. Przedstawiono system wspierający administratorów w migracji zarządzanych przez nich sieci do obsługi protokołu IPv6. Celem pracy jest analiza problemów procesów migracji IPv4 do IPv6 oraz wskazanie...
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Molecular hydrogen solvated in water – A computational study
PublicationThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...
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An improvement of body surface area formulas using the 3D scanning technique
PublicationObjectives: Body surface area (BSA) is one of the major parameters used in several medical fields. However, there are concerns raised about its usefulness, mostly due to the ambiguity of its estimation. Material and Methods: Authors have conducted a voluntary study to investigate BSA distribution and estimation in a group of 179 adult people of various sex, age, and physique. Here, there is provided an extended analysis of the...
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Vibrational Quenching of Optically Pumped Carbon Dimer Anions
PublicationCareful control of quantum states is a gateway to research in many areas of science such as quantum information, quantum-controlled chemistry, and astrophysical processes. Precise optical control of molecular ions remains a challenge due to the scarcity of suitable level schemes, and direct laser cooling has not yet been achieved for either positive or negative molecular ions. Using a cryogenic wire trap, we show how the internal...
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Speed estimation of a car at impact with a W-beam guardrail using numerical simulations and machine learning
PublicationThis paper aimed at developing a new method of estimating the impact speed of a passenger car at the moment of a crash into a W-beam road safety barrier. The determination of such a speed based on the accident outcomes is demanding, because often there is no access to full accident data. However, accurate determination of the impact speed is one of the key elements in the reconstruction of road accidents. A machine learning algorithm...
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Expedited Geometry Scaling of Compact Microwave Passives by Means of Inverse Surrogate Modeling
PublicationIn this paper, the problem of geometry scaling of compact microwave structures is investigated. As opposed to conventional structures (i.e., constructed using uniform transmission lines), re-design of miniaturized circuits (e.g., implemented with artificial transmission lines, ATSs) for different operating frequencies is far from being straightforward due to considerable cross-couplings between the circuit components. Here, we...
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Macroeconomic functions of the Russian stock market
PublicationThe purpose of this article is to present the structure of the stock market in the Russian Federation and the significance of this part of national financial system for the whole economy, particularly the degree of main macroeconomic functions fulfillment. First part of the text includes an overview of the main theoretical concepts linked with the stock market roles as well as a brief description of results of selected studies...
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Dynamic Bayesian Networks for Symbolic Polyphonic Pitch Modeling
PublicationSymbolic pitch modeling is a way of incorporating knowledge about relations between pitches into the process of an- alyzing musical information or signals. In this paper, we propose a family of probabilistic symbolic polyphonic pitch models, which account for both the “horizontal” and the “vertical” pitch struc- ture. These models are formulated as linear or log-linear interpo- lations of up to fi ve sub-models, each of which is...
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Cross-sections for electron-scattering from 2-methyl-1-buten-3-yne, C 5 H 6 , molecules
PublicationtCross-sections for electron collisions with the 2-methyl-1-buten-3-yne [H2C C(CH3)C CH] moleculewere measured and calculated. Absolute grand-total electron-scattering cross-section (TCS) was takenat impact energies from 0.6 to 300 eV in the linear electron-transmission experiment. The TCS energydependence for the electron–C5H6collision has two prominent enhancements separated with a deepminimum located near 1.8 eV. In addition,...
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Joint experimental and theoretical study on electron scattering from titanium tetrachloride (TiCl4) molecule
PublicationAbsolute grand-total cross section for electron scattering from titanium tetrachloride, TiCl4, molecule was measured at electron-impact energies ranging from 0.3 to 300 eV, in the linear electron-transmission experiment. The elastic integral, differential, momentum transfer, and total ionization cross sections for TiCl4 molecule were also calculated for low and intermediate collisional energies at the level of various theories. The...
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Effective assessment of biopolymer-based multifunctional sorbents for the remediation of environmentally hazardous contaminants from aqueous solutions
PublicationPersistent contaminants in wastewater effluent pose a significant threat to aquatic life and are one of the most significant environmental concerns of our time. Although there are a variety of traditional methods available in wastewater treatment, including adsorption, coagulation, flocculation, ion exchange, membrane filtration, co-precipitation and solvent extraction, none of these have been found to be significantly cost-effective...
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Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma gerade plus (dSg+) states have been calculated for the Lithium dimer cation (Li2+). The results of the ground state and four excited states of the symmetry doublet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma ungerade plus (dSu+) states have been calculated for the Lithium dimer cation (Li2+). The results of the five excited states of the symmetry doublet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Computer Controlled Systems Lab - 2023/2024
e-Learning CoursesComputer Controlled Systems Lab The course includes 5 individual projects and their laboratory implementation. The topics:- Job analysis and tuning digital servo- Usage of a PC computer and MatLab package for controlling the dynamic object as a model of the tethered helicopter- Use of C language and the PC to control the plant in real time- Use of assembly language, and a microcontroller to control the plant in real time- Use...
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Computer Controlled Systems Lab - Nowy - Nowy
e-Learning CoursesComputer Controlled Systems Lab The course includes 5 individual projects and their laboratory implementation. The topics:- Job analysis and tuning digital servo- Usage of a PC computer and MatLab package for controlling the dynamic object as a model of the tethered helicopter- Use of C language and the PC to control the plant in real time- Use of assembly language, and a microcontroller to control the plant in real time- Use...
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Structure elucidation of carbamoylo-β-lactam diastereoisomers by ROESY and NOESY experiments
PublicationRecently we have focused in the problem of preparation of carbamoylo-β-lactams as a result of oxidative cyclization of malonyl enamides. In our experiments we obtain mixture of two main β-lactam products: as a result of subsequent elimination and a second as a product of substitution. All of the produced β-lactams have trans configuration what was confirmed by 1H coupling constants. However id should be stressed that in the case...
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An Innovative Floating System with a Savonius Rotor as a Horizontal-Axis Wind Turbine
PublicationIn this project, an innovative wind turbine was designed for a floating plant. A large Savonius rotor was replaced with a double-rotor wind turbine implemented as a horizontal-axis turbine. This double rotor was positioned on the tip of a thrust plate and fixed to the deck of a catamaran. Simple 2D numerical simulations were performed to confirm the effectiveness of the concept. An analysis of the floating system configuration...
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Synthesis and characterization of mononuclear Zn(II), Co(II) and Ni(II) complexes containing a sterically demanding silanethiolate ligand derived from tris(2,6-diisopropylphenoxy)silanethiol
PublicationFour heteroleptic complexes of zinc(II), cobalt(II) and nickel(II) containing a monodentate silanethiolate ligand derived from tris(2,6-diisopropylphenoxy)silanethiol (TDST), were prepared and characterized. The geometries of ligands in the complexes are typical: distorted tetrahedral in zinc and cobalt(II) complexes and square planar in nickel(II) compound. Magnetic studies performed for Ni(II) and Co(II) compounds confirm the...
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Design of a Planar UWB Dipole Antenna with an Integrated Balun Using Surrogate-Based Optimization
PublicationA design of an ultra-wideband (UWB) antenna with an integrated balun is presented. A fully planar balun configuration interfacing the microstrip input of the structure to the coplanar stripline (CPS) input of the dipole antenna is introduced. The electromagnetic (EM) model of the structure of interest includes the dipole, the balun, and the microstrip input to account for coupling and radiation effects over the UWB band. The EM...
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Integration of cloud-based services into distributed workflow systems: challenges and solutions
PublicationThe paper introduces the challenges in modern workflow management in distributed environments spanning multiplecluster, grid and cloud systems. Recent developments in cloud computing infrastructures are presented and are referring howclouds can be incorporated into distributed workflow management, aside from local and grid systems considered so far. Severalchallenges concerning workflow definition, optimisation and execution are...
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Gender differences in the perception of the Quality of College Life in Spanish University
PublicationThrough the current research, we intend to analyse how students differ in their levels of quality of college life (QCL) according to gender, and how this relates to overall quality of life (QoL) and loyalty [measured by Identification and word of mouth (WoM)] to their specific university. The survey included 243 students attending public university in Spain. The results obtained through the analysis of data allow affirming that...
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Resilience of 5G Mobile Communication Systems to Massive Disruptions
PublicationThis chapter discusses vital techniques to enhance the resilience of 5G systems. It starts with dependability assessment of 5G networks. Next, it describes (a) the frequency fallback technique to improve availability and survivability of 5G services, (b) segment interleaving scheme to enhance communications resilience between base stations and the remaining part of the network and (c) multi-operator protection to address the resilience...
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Application of Monte-Carlo method to modelling influence of selected soil heterogeneity on macrodispersion of pollutants in unsaturated soil medium
PublicationThe influence of soil heterogeneity on miscible solute transport in soil is analyzed. The transport process is simulated numerically using the Monte-Carlo method. This paper shows how different types of soil heterogeneity influence the process of contaminant spreading. If independent flow paths exist in the soil, the degree of the mixing of pollutants in the outflow from the soil profile is larger. If the preferential flow paths...
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Stefan Niewitecki dr inż. arch.
PeopleW dniu 29.07.1977 r. ukończenie Studium Podyplomowego Kształcenia Pedagogicznego Nauczycieli Akademickich (świadectwo Nr 301, wynik dobry). Dnia 29.04.1982 r. nagroda III stopnia Rektora Politechniki Gdańskiej, zespołowa za ''Studium wpływu ujęcia wody Gdańsk-Lipce na stateczność obiektów budowlanych w rejonie leja depresyjnego.'' W 1986 r. nagroda Rektora Politechniki Gdańskiej za ''Orzeczenie i projekt techniczny wzmocnienia...