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Search results for: MULTI-PARTY COMPUTATION
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Performance Models of a Multidomain IMS/NGN Service Stratum
PublicationThis paper quantifies call processing performance (CPP) of a multidomain IMS/NGN architecture, which was proposed to deliver current and future telecommunication services with strict quality requirements, independently of the transport network technologies. A realistic simulation model is used as a reference for evaluation of the analytical results, in which vari-ous types of queuing systems are applied to model the opera-tion...
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Automated Reduced Model Order Selection
PublicationThis letter proposes to automate generation of reduced-order models used for accelerated -parameter computation by applying a posteriori model error estimators. So far,a posteriori error estimators were used in Reduced Basis Method (RBM) and Proper Orthogonal Decomposition (POD) to select frequency points at which basis vectors are generated. This letter shows how a posteriori error estimators can be applied to automatically select...
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Accuracy Analysis of Determination the Vertical Displacements in Unstable Reference System
PublicationMeasurements of horizontal and vertical displacements are carried out mostly based on reference points identified as fixed. In surveying practice there may be some situations in which there is not possible to perform the measurements with reference to stable points or the difficulties in identification of points’ stability may arise. Accuracy analysis based on the covariance matrices have a special role in this process. In presented...
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OPTIMIZATION OF THE LAST STAGE OF GAS-STEAM TURBINE USING A HYBRID METHOD
PublicationThis paper relates to the CFD calculation of a new turbine type which is in the phase of theoretical analysis, because the working fluid is a mixture of steam and gas generated in wet combustion chamber. At first, this article concentrates on a possibility of streamlining the flow efficiency of a last stage of axial turbine working on gas-steam mixture using a hybrid of the particle swarm optimization algorithm with the Nelder-Mead...
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A subdomain model for armature reaction field and open‐circuit field prediction in consequent pole permanent magnet machines
PublicationIn this paper, the machine quantity, such as electromagnetic torque, self and mutual inductances, and electromotive force, is analytically calculated for non-overlapping winding consequent pole slotted machine for open-circuit field and armature reaction. The sub-domain approach of (2-D) analytical model is developed using Maxwell's equations and divide the problem into slots, slot-openings, airgap and magnets region, the magnet...
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Model of management of knowledge bases in the information technology evaluation environment
PublicationThe paper presents the model of management of knowledge bases in multi-agent system for evaluation of information technologies (IT_MAS). Such system is being developed in Gdansk Uni-versity of Technology by Information Technology Management Team. Multi-agent system is supposed to support manager level specialists during decision processes when there is identified need to buy or change any information technology. The main goal of...
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DYNWIR S-70 program for modal analysis of multisupported and multimass rotors
PublicationThe article provides a brief description of the program Dynwir-S-70 (currently being developed in the Rotor Dynamics and Slide Bearings Department in the Institute of Fluid-Flow Machinery Polish Academy of Sciences in Gdansk) which is a program for analysis of multi-supported and multi-mass rotors. Used algorithms and the construction of mass and stiffness matrix were presented. Damping matrix structure based on Rayleigh damping...
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Comparative Greenness Evaluation
PublicationGreenness of analytical procedure is multivariable aspect as many greenness criteria should be taken into consideration. On the other hand, modern analytical chemistry offers dozens of analytical procedures, based on different sample preparation and final determination techniques that are used for the determination of a given analyte in a given matrix. For such complex decision-making processes, multi-criteria decision analysis...
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Some Aspects of Designing Nozzle Segments of Axial Microturbines,
PublicationIn the paper a multi-stage micro-turbine with partial admission of all the stages is described in detail and the results of the numerical calculations and experimental investigations are presented, followed by an appropriate discussion and conclusions.
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Flexibility and user‐friendliness of Grid portals: the PROGRESS approach
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Plugging grids into computing portals: the PROGRESS grid resource broker plug‐in mechanism
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Combining the MARTINI and Structure-Based Coarse-Grained Approaches for the Molecular Dynamics Studies of Conformational Transitions in Proteins
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High quality speech coding using combined parametric and perceptual modules. [Kodowanie sygnału mowy z zachowaniem wysokiej jakości przy wykorzystaniu modułu parametrycznego i perceptualnego]
PublicationW komunikacie zaprezentowano nową metodę hybrydowego kodowania sygnału mowy. Techniki kodowania parametrycznego oraz perceptualnego zostały wykorzystane w celu zapewnienia wysokiej jakości kodowania sygnału mowy. Przedstawiono wyniki badań dla dwóch architektur kodeka. Jedna z nich bazuje na algorytmie pozwalajacym wyodrębnić składowe dźwięczne, bezdźwięczne oraz transjenty. Składowe dźwięczne kodowane są metodą perceptualną, bezdźwięczne...
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Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations
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Dynamic Formation and Breaking of Disulfide Bonds in Molecular Dynamics Simulations with the UNRES Force Field
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Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins
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Implementation of a Serial Replica Exchange Method in a Physics-Based United-Residue (UNRES) Force Field
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Improvement of the Treatment of Loop Structures in the UNRES Force Field by Inclusion of Coupling between Backbone- and Side-Chain-Local Conformational States
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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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Simulation of the Opening and Closing of Hsp70 Chaperones by Coarse-Grained Molecular Dynamics
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Replica Exchange and Multicanonical Algorithms with the Coarse-Grained United-Residue (UNRES) Force Field
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Workflow applications in GridLab and PROGRESS projects
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Dominant Pathways of Adenosyl Radical-Induced DNA Damage Revealed by QM/MM Metadynamics
PublicationBrominated nucleobases sensitize double stranded DNA to hydrated electrons, one of the dominant genotoxic species produced in hypoxic cancer cells during radiotherapy. Such radiosensitizers can therefore be administered locally to enhance treatment efficiency within the solid tumor while protecting the neighboring tissue. When a solvated electron attaches to 8-bromoadenosine, a potential sensitizer, the dissociation of bromide...
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Keep It Flexible: Driving Macromolecular Rotary Motions in Atomistic Simulations with GROMACS
PublicationWe describe a versatile method to enforce the rotation of subsets of atoms, e.g., a protein subunit, in molecular dynamics (MD) simulations. In particular, we introduce a “flexible axis” technique that allows realistic flexible adaptions of both the rotary subunit as well as the local rotation axis during the simulation. A variety of useful rotation potentials were implemented for the GROMACS 4.5 MD package. Application to the...
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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublicationThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
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Theoretical Assessment of Excited State Gradients and Resonance Raman Intensities for the Azobenzene Molecule
PublicationThe ground state geometries and vibrational frequencies as well as the excitation energies and excited state gradients of the S 1(nπ*) and S 2(ππ * ) states of trans - and cis -azobenzene are investigated by several DFT methods, namely B3LYP, PBE, M06-2X, CAM-B3LYP, and ω B97X. Excited state properties and in particular gradients are also assessed using the wave function based methods EOM-CCSD and RASPT2/RASSCF. Comparison with...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublicationWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublicationThe importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized...
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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublicationThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublicationDensity functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFTMD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in...
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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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Wielokryterialne Wspomaganie decyzji środowiskowych przy wydobywaniu węglowodorów z formacji łupkowych
PublicationPoszukiwanie i eksploatacja gazu z formacji łupkowych wymaga zidentyfikowania i uwzględnienia wielu czynników i uwarunkowań geologiczno-górniczych, ekonomiczno-finansowych, prawnych oraz szeroko rozumianych aspektów przestrzenno-środowiskowych. Poruszane zagadnienia prowadzą do zidentyfikowania problemów decyzyjnych, które mogą pojawiać się przy eksploatacji gazu z łupków, a które wiążą się z intensywnym korzystaniem z zasobów...
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Paweł Rościszewski dr inż.
PeoplePaweł Rościszewski received his PhD in Computer Science at Gdańsk University of Technology in 2018 based on PhD thesis entitled: "Optimization of hybrid parallel application execution in heterogeneous high performance computing systems considering execution time and power consumption". Currently, he is an Assistant Professor at the Faculty of Electronics, Telecommunications and Informatics, Gdańsk University of Technology, Poland....
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Ligand-Modified Boron-Doped Diamond Surface: DFT Insights into the Electronic Properties of Biofunctionalization
PublicationWith the increasing power of computation systems, theoretical calculations provide a means for quick determination of material properties, laying out a research plan, and lowering material development costs. One of the most common is Density Functional Theory (DFT), which allows us to simulate the structure of chemical molecules or crystals and their interaction. In developing a new generation of biosensors, understanding the nature...
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Computer controlled systems - 2022/2023
e-Learning Coursesmateriały wspierające wykład na studiach II stopnia na kierunku ACR pod tytułem komputerowe systemy automatyki 1. Computer system – controlled plant interfacing technique; simple interfacing and with both side acknowledgement; ideas, algorithms, acknowledge passing. 2. Methods of acknowledgement passing: software checking and passing, using interrupt techniques, using readiness checking (ready – wait lines). The best solution...
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CCS-lecture-2023-2024
e-Learning Coursesmateriały wspierające wykład na studiach II stopnia na kierunku ACR pod tytułem komputerowe systemy automatyki 1. Computer system – controlled plant interfacing technique; simple interfacing and with both side acknowledgement; ideas, algorithms, acknowledge passing. 2. Methods of acknowledgement passing: software checking and passing, using interrupt techniques, using readiness checking (ready – wait lines). The best solution optimization...
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Błażej Prusak dr hab.
PeopleBłażej Prusak is Head of the Department of Finance at the Faculty of Management and Economics, Gdansk University of Technology and Editor-in-Chief of the journal Research on Enterprise in Modern Economy - theory and practice (REME), as well as a member of editorial boards of such journals as Intellectual Economics; Space. Economics. Society; Academy of Management. He is the author or co-author of several scientific monographs including:...
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The youth in polish legations and government
PublicationUntil the 2015 elections, youth policy in Poland was treated as a separate domain. There is no uniform legal basis concerned with the matters of young people. Youth rights are dealt with in several articles of the Constitution of the Republic of Poland as well as a number of Acts: on Public Administration Branches, on the Education System, on Higher Education, on Employment Promotion and Labour Market Institutions, on NFZ General...
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Client-side versus server-side geographic data processing performance comparison: Data and code
PublicationThe data and code presented in this article are related to the research article entitled “Analysis of Server-side and Client-side Web-GIS data processing methods on the example of JTS and JSTS using open data from OSM and Geoportal” (Kulawiak et al., 2019). The provided 12 datasets include multi-point and multi-polygon data of different scales and volumes, representing real-world geographic features. The datasets cover the area...
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Conception of interactive information and decision support system - model and evaluation
PublicationThis article presents conception of interactive information and decision support system for urban and industrial air quality management. The emphasis of the project is on real-time analysis and multi-media information, and support of distributed and mobile clients through the Internet.
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Positron-electron correlation-polarization potentials for the calculation of positron collisions with atoms and molecules
PublicationWe present correlation-polarization potentials for the calculation of scattering cross sections of positrons with atoms and molecules. The potentials are constructed from a short-range correlation term and a long-range polarization term. For the short-range correlation term we present four different potentials that are derived from multi-component density functionals. For the long-range polarization term we employ a multi-term...
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An investigation on residual stress and fatigue life assessment of T-shape welded joints
PublicationThis paper aims to quantitatively evaluate the residual stress and fatigue life of T-type welded joints with a multi-pass weld in different direction. The main research objectives of the experimental test were to test the residual stress by changing direction along with multiple wielding passes and determine the fatigue life of the welded joints. The result shows that compressive residual stress increases in the sample gradually...
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Earth wires currents calculation by tableau analysis
PublicationThe paper presents a new method to compute a phase-to-earth fault current distribution in overhead transmission line. The method is based on the tableau analysis of an unbalanced, multi-wire model of a transmission line. It allows for the calculation of current distribution in overhead earth wires along the transmission line. Additionally, it may be used to calculate currents in a tower’s earthing system as well as voltages over...
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Design space reduction and variable-fidelity EM simulations for feasible Pareto optimization of antennas
PublicationA computationally efficient procedure for multi-objective optimization of antenna structures is presented. In our approach, a response surface approximation (RSA) model created from sampled coarse-discretization EM antenna simulations is utilized to yield an initial set of Pareto-optimal designs using a multi-objective evolutionary algorithm. The final Pareto front representation for the high-fidelity model is obtained using surrogate-based...
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Corrigendum to “An investigation on residual stress and fatigue life assessment of T-shape welded joints” [Eng. Fail. Anal. 141 (2022) 106685]
PublicationThis paper aims to quantitatively evaluate the residual stress and fatigue life of T-type welded joints with a multi-pass weld in different direction. The main research objectives of the experimental test were to test the residual stress by changing direction along with multiple wielding passes and determine the fatigue life of the welded joints. The result shows that compressive residual stress increases in the sample gradually...
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A comparative analysis of methods and tools for low impact development (LID) site selection
PublicationThe site selection for Low Impact Development (LID) practices is a significant process. It affects the effectiveness of LID in controlling stormwater surface runoff, volume, flow rate, and infiltration. This research paper presents a comprehensive review of various methods used for LID site selection. It starts by introducing different methods and tools. Three main methods: index-based methods, GIS-based multi-criteria decision...
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Perspectives of Telematics Implementation in Tri-City Transport Systems Management and Planning
PublicationIn 2010 the City of Gdynia applied for match funding the project ''Implementation of the Integrated Traffic Management System TRISTAR in Tri-City" under the Operational Programme Infrastructure and Environment. This year the project has been placed on a list approved by the Ministry of Infrastructure. Tri-City proceeds with a tender for the implementation of the system. The project will be implemented in key elements are included...
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Evolutionary Sets Of Safe Ship Trajectories: A New Approach To Collision Avoidance
PublicationThe paper introduces a new method of solving multi-ship encounter situations for both open waters and restricted water regions. The method, called evolutionary sets of safe trajectories combines some of the assumptions of game theory with evolutionary programming and aims to find optimal set of safe trajectories of all ships involved in an encounter situation. In a two-ship encounter situation it enables the operator of an on-board...
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Ab Initio Study of the Electronic Spectrum of 7-Hydroxyquinoline
PublicationThe electronic spectrum of 7-hydroxyquinoline has been studied by using ab initio Multi-State Multi-Reference Møller-Plesset Second-Order Perturbation Theory (MSMRMP2). The energy range up to 6.5 eV is taken into consideration. The lowest π–π* transition is calculated to have an energy of 3.65 eV in good agreement with experimental data. Several other π–π* transitions are predicted to have excitation energies of 4.93, 5.20, 5.47,...
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Impact of Volcanic Eruptions on the Occurrence of PAHs Compounds in the Aquatic Ecosystem of the Southern Part of West Spitsbergen (Hornsund Fjord, Svalbard)
PublicationThe paper presents changes in concentration levels of dioxin-like compounds that can be observed over the course of four study seasons in water samples collected from the Arctic watershed of Svalbard. The conducted analysis involved anthropogenic and natural factors that may affect the concentration of PAHs in the study samples of water. An attempt is made to indicate the emission source of the compounds being deposited and to...