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Search results for: NUMERICAL METHODS
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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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Modeling of medium flow processes in transportation pipelines - the synthesis of their state-space models and the analysis of the mathematical properties of the models for leak detection purposes
PublicationThe dissertation concerns the issue of modeling the pipeline flow process under incompressible and isothermal conditions, with a target application to the leak detection and isolation systems. First, an introduction to the model-based process diagnostics is provided, where its basic terminology, tools, and methods are described. In the following chapter, a review of the state of the art in the field of leak detection and isolation...
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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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Analytical ‘Steady-State’-Based Derivation and Clarification of the Courant-Friedrichs-Lewy Condition for Pipe Flow
PublicationThis article addresses the problem of choosing the optimal discretization grid for emulating fluid flow through a pipeline. The aggregated basic flow model is linearized near the operating point obtained from the steady state analytic solution of the differential equations under consideration. Based on this model, the relationship between the Courant number (μ) and the stability margin is examined. The numerically set coefficient...
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Validation of Hydraulic Mechanism during Blowout Trauma of Human Orbit Depending on the Method of Load Application
PublicationThe more we know about mechanisms of the human orbital blowout type of trauma, the better we will be able to prevent them in the future. As long as the buckling mechanism’s veracity is not in doubt, the hydraulic mechanism is not based on equally strong premises. To investigate the correctness of the hydraulic mechanism’s theory, two different methods of implementation of the hydraulic load to the finite element method (FEM) model...
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Medially positioned plate in first metatarsophalangeal joint arthrodesis
PublicationObjective The purpose of this study was to biomechanically compare the stability of first metatarsophalangeal (MTP1) joint arthrodesis with dorsally and medially positioned plates. Methods A physical model of the MTP1 joint consists of printed synthetic bones, a titanium locking plate and screws. In the experiments, samples with dorsally and medially positioned plates were subjected to loading of ground load character in a universal...
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Approximation algorithms for job scheduling with block-type conflict graphs
PublicationThe problem of scheduling jobs on parallel machines (identical, uniform, or unrelated), under incompatibility relation modeled as a block graph, under the makespan optimality criterion, is considered in this paper. No two jobs that are in the relation (equivalently in the same block) may be scheduled on the same machine in this model. The presented model stems from a well-established line of research combining scheduling theory...
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Expedited Re-Design of Multi-Band Passive Microwave Circuits Using Orthogonal Scaling Directions and Gradient-Based Tuning
PublicationGeometry scaling of microwave circuits is an essential but challenging task. In particular, the employment of a given passive structure in a different application area often requires re-adjustment of the operating frequencies/bands while maintaining top performance. Achieving this necessitates utilization of numerical optimization methods. Nonetheless, if the intended frequencies are distant from the ones at the starting point,...
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Nuclear Power Plant Steam Turbine - Modeling for Model Based Control Purposes
PublicationThe nature of the processes taking place in a nuclear power plant (NPP) steam turbine is the reason why their modeling is very difficult, especially when the model is intended to be used for on-line optimal model based process control over a wide range of operating conditions, caused by changing electrical power demand e.g. when combined heat and power mode of work is utilized. The paper presents three nonlinear models of NPP steam...
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Investigations of the Working Process in a Dual-Fuel Low-Emission Combustion Chamber for an FPSO Gas Turbine Engine
PublicationThis investigation is devoted to an analysis of the working process in a dual-fuel low-emission combustion chamber for a floating vessel’s gas turbine. The low-emission gas turbine combustion chamber with partial pre-mixing of fuel and air inside the outer and inner radial-axial swirlers was chosen as the object of research. When modelling processes in a dual-flow low-emission gas turbine combustion chamber, a generalized method...
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Nucleation and growth of CVD diamond on fused silica optical fibres with titanium dioxide interlayer
PublicationNucleation and growth processes of thin diamond films on fused silica optical fibres have been investigated. Fibres were coated with diamond film using microwave plasma enhanced chemical vapour deposition (µPE CVD) system. Since the growth of diamond on the fused silica glass requires high seeding density, two types of glass pre-treatment were applied: titanium dioxide (TiO2) interlayer deposition and sonication in nanodiamond...
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Stormwater and snowmelt runoff storage control and flash flood hazard forecasting in the urbanized coastal basin.
PublicationCity of Gdańsk is located in a coastal region where changing climatic conditions increase the frequency of extreme weather events. Developing urbanization affects the hydrology of natural basins by simplification of the drainage system and reduction of infiltration and base flow. Consequently greater runoff rates flow into storm water collection systems, reservoirs and surrounding water bodies. Not only infrastructures of urban...
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Numeryczna analiza wpływu kierunku rozchodzenia się fali wybuchu na krzywiznę asymetrycznie walcowanego pasma Al-Cu. Numerical analysis the influence of the direction of explosion wave at the curvature of asymmetrical rolling of bimetallic plate.
PublicationW artykule przedstawiono numeryczną analizę wpływu kierunku rozchodzenia się fali wybuchu na krzywiznę asymetrycznie walcowanego pasma Al-Cu. Przeprowadzono symulacje dla procesu walcowania w temperaturze 20 C. Proces walcowania prowadzono w walcarce duo D 150 mm, o prędkości obwodowej 18,5 obr/min. Badania przeprowadzono dla dwóch stosunków grubości warstw 2/10 i 4/8. Symulację procesu przeprowadzono dla trzech gniotów 10%, 20%,...
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Optymalizacja strategii sieci inteligentnych agentów za pomocą programowania genetycznego w systemie rozproszonym realizującym paradygmat volunteer computing
PublicationDynamicznie rosnąca złożoność i wymagania w odniesieniu do rozproszonych systemów informatycznych utrudnia zarządzanie dostępnymi zasobami sprzętowymi i programistycznymi. Z tego powodu celem rozprawy jest opracowanie wielokryterialnej metody programowania genetycznego, która pozwala na optymalizację strategii zespołu inteligentnych agentów programistycznych w zakresie zarządzania systemem realizującym paradygmat volunteer computing....
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The importance of individual spray properties in performance improvement of a urea-SCR system employing flash-boiling injection
PublicationThe appropriate mixing of a urea–water solution (UWS) with exhaust gases in a selective catalytic reduction system is crucial to efficiently reduce nitrogen oxides and diminish the deposition of liquid wall film. One of the methods to enhance the mixing of the UWS with the exhaust gases is a flash-boiling injection. Its positive effect has been linked with a reduced Sauter mean diameter (SMD) and improved evaporation, but the...
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Prediction of maximum tensile stress in plain-weave composite laminates with interacting holes via stacked machine learning algorithms: A comparative study
PublicationPlain weave composite is a long-lasting type of fabric composite that is stable enough when being handled. Open-hole composites have been widely used in industry, though they have weak structural performance and complex design processes. An extensive number of material/geometry parameters have been utilized for designing these composites, thereby an efficient computational tool is essential for that purpose. Different Machine Learning...
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Multi-objective optimization of expensive electromagnetic simulation models
PublicationVast majority of practical engineering design problems require simultaneous handling of several criteria. For the sake of simplicity and through a priori preference articulation one can turn many design tasks into single-objective problems that can be handled using conventional numerical optimization routines. However, in some situations, acquiring comprehensive knowledge about the system at hand, in particular, about possible...
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Forced vibrations in a dynamic system that is damped by a mechanism that trans-pass through its singular position
PublicationIn the paper, vibrations of a hybrid multibody-continuous system are investigated. For all the mechanical devices, effective damping methods are crucial in the design process. To obtain it, installation of viscous dampers or elasto-viscous elements is dominant. In the paper, an alternative method is investigated. It is based on modal disparity. To describe the method briefly, when structural damping is present in continuous systems,...
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On time-dependent nonlinear dynamic response of micro-elastic solids
PublicationA new approach to the mechanical response of micro-mechanic problems is presented using the modified couple stress theory. This model captured micro-turns due to micro-particles' rotations which could be essential for microstructural materials and/or at small scales. In a micro media based on the small rotations, sub-particles can also turn except the whole domain rotation. However, this framework is competent for a static medium....
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Accurate Modeling of Frequency Selective Surfaces Using Fully-Connected Regression Model with Automated Architecture Determination and Parameter Selection Based on Bayesian Optimization
PublicationSurrogate modeling has become an important tool in the design of high-frequency structures. Although full-wave electromagnetic (EM) simulation tools provide an accurate account for the circuit characteristics and performance, they entail considerable computational expenditures. Replacing EM analysis by fast surrogates provides a way to accelerate the design procedures. Unfortunately, modeling of microwave passives is a challenging...
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Low-Cost Design Optimization of Microwave Passives Using Multi-Fidelity EM Simulations and Selective Broyden Updates
PublicationGeometry parameters of contemporary microwave passives have to be carefully tuned in the final stages of their design process to ensure the best possible performance. For reliability reasons, the tuning has to be to be carried out at the level of full-wave electromagnetic (EM) simulations. This is because traditional modeling methods are incapable of quantifying certain phenomena that may affect operation and performance of these...
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Generalized Formulation of Response Features for Reliable Optimization of Antenna Input Characteristics
PublicationElectromagnetic (EM)-driven parameter adjustment has become imperative in the design of modern antennas. It is necessary because the initial designs rendered through topology evolution, parameter sweeping, or theoretical models, are often of poor quality and need to be improved to satisfy stringent performance requirements. Given multiple objectives, constraints, and a typically large number of geometry parameters, the design closure...
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Response of cylindrical steel tank under stochastically generated non-uniform earthquake excitation
PublicationCylindrical steel tanks are very important structures in industrial facilities since their application is related to storing different types of products. Their safety and reliability have become a crucial issue because any damage may cause significant consequences, including ecological disaster. The most dangerous dynamic load acting on cylindrical steel tanks is related to earthquakes, especially that the seismic excitation may...
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Low-cost multi-criterial design optimization of compact microwave passives using constrained surrogates and dimensionality reduction
PublicationDesign of contemporary microwave circuits is a challenging task. Typically, it has to take into account several performance requirements and constraints. The design objectives are often conflicting and their simultaneous improvement may not be possible; instead, compromise solutions are to be sought. Representative examples are miniaturized microwave passives where reduction of the circuit size has a detrimental effect on its electrical...
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Ocena wpływu dawki DME na wybrane wskaźniki procesu spalania w dwupaliwowym silniku o zapłonie samoczynnym
PublicationPrzedmiotem rozprawy jest analiza wpływu różnej ilości odparowanego DME wprowadzonego do kolektora dolotowego na wybrane wskaźniki spalania DME/ON dla wielu punktów pracy, turbodoładowanego silnika o zapłonie samoczynnym. Jako punkty pracy silnika, wybrano punkty najbardziej reprezentujące cykl jazdy WLTP dla samochodu Volkswagen Golf IV. Analizę procesu współspalania przeprowadzono z wykorzystaniem danych pomiarowych, uzyskanych...
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KRYTERIA STOSOWANE W WIELOKRYTERIALNYM PLANOWANIU ROZWOJU SYSTEMU ELEKTROENERGETYCZNEGO
PublicationProblematyka planowania rozwoju systemów elektroenergetycznych jest zagadnieniem często podejmowanym w badaniach optymalizacyjnych ze względu na wagę i zasięg problemu. Rozwój techniki komputerowej pozwolił na połączenie tematyki optymalizacji struktury wytwarzania i planowania sieci elektroenergetycznej, co jest zagadnieniem wielowątkowym oraz wielowymiarowym. W prezentowanym artykule przedstawiono kryteria stosowane w analizach...
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Design centering of compact microwave components using response features and trust regions
PublicationFabrication tolerances, as well as uncertainties of other kinds, e.g., concerning material parameters or operating conditions, are detrimental to the performance of microwave circuits. Mitigating their impact requires accounting for possible parameter deviations already at the design stage. This involves optimization of appropriately defined statistical figures of merit such as yield. Alt-hough important, robust (or tolerance-aware)...
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A framework for accelerated optimization of antennas using design database and initial parameter set estimation
PublicationThe purpose of this paper is to exploit a database of pre-existing designs to accelerate parametric optimization of antenna structures is investigated. Design/methodology/approach The usefulness of pre-existing designs for rapid design of antennas is investigated. The proposed approach exploits the database existing antenna base designs to determine a good starting point for structure optimization and its response sensitivities....
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Diagnostyka eksploatacyjna okrętowych silników spalinowych - tłokowych i turbinowych
PublicationW monografii przedstawiono wybrane zagadnienia diagnostyki technicznej silników spalinowych dużej mocy, zarówno tłokowych, jak i turbinowych, ukierunkowane na eksploatację okrętowych (i nie tylko) systemów energetycznych, w których występują tego typu silniki. W początkowej części opracowania zaproponowano koncepcję systemowego ujęcia diagnostyki eksploatacyjnej silników okrętowych w aspekcie obowiązujących standardów światowych...
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Numeryczna analiza możliwości zwiększenia efektywności grzewczej pompy ciepła, poprzez modyfikację skraplacza
PublicationW niniejszej pracy określono charakterystykę prostego modelu wymiennika ciepła bazującego na skraplaczu powietrznej pompy ciepła. Jest to helikoidalny rekuperator typu rura w rurze. Zaproponowano i poddano analizie numerycznej dwie metody intensyfikacji wymiany ciepła i zestawiono wyniki z modelem porównawczym. Zastosowane rozwiązania zwiększające strumień wymienianego ciepła spowodowały wzrost odbieranego przez wodę strumienia...
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Technical and Economic Analysis of the Supercritical Combined Gas-Steam Cycle
PublicationCombined cycle power plants are characterized by high efficiency, now exceeding 60%. The record-breaking power plant listed in the Guinness Book of World Records is the Nishi-Nagoya power plant commissioned in March 2018, located in Japan, and reaching the gross efficiency of 63.08%. Research and development centers, energy companies, and scientific institutions are taking various actions to increase this efficiency. Both the gas...
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Knowledge-based performance-driven modeling of antenna structures
PublicationThe importance of surrogate modeling techniques in the design of modern antenna systems has been continuously growing over the recent years. This phenomenon is a matter of practical necessity rather than simply a fashion. On the one hand, antenna design procedures rely on full-wave electromagnetic (EM) simulation tools. On the other hand, the computational costs incurred by repetitive EM analyses involved in solving common tasks...
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Numerical modelling of POC dynamics in the southern Baltic under possible future conditions determined by nutrients, light and temperature**The study was financially supported by the Polish Ministry of Science and Higher Education (grants: NN305 111636 and NN306 404338) and Baltic-C – the BONUS funded project.
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A novel degree-hour method for rational design loading
PublicationCooling degree-hours (CDH) received the broadest application in evaluation of the ambient air cooling efficiency in power engineering (engine intake air cooling systems) and air conditioning. The current CDH numbers are defined as a drop in air temperature multiplied by associated time duration of performance and their summarized annual number is used to estimate the annual effect achieved due to sucked air cooling in power plants...
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Active Kriging-based conjugate first-order reliability method for highly efficient structural reliability analysis using resample strategy
PublicationEfficient structural reliability analysis method is crucial to solving reliability analysis of complex structural problems. High-computational cost and low-failure probability problems greatly limit the efficiency in structural reliability analysis problems, causing the safety and reliability of the structure to be questioned. In this work, a highly efficient structural reliability analysis method coupling active Kriging algorithm...
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The smoothness test for a density function
PublicationThe problem of testing hypothesis that a density function has no more than μ derivatives versus it has more than μ derivatives is considered. For a solution, the L2 norms of wavelet orthogonal projections on some orthogonal ‘‘differences’’ of spaces from a multiresolution analysis is used. For the construction of the smoothness test an asymptotic distribution of a smoothness estimator is used. To analyze that asymptotic distribution,...
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Two-criteria optimisation problem for ventral hernia repair
PublicationTwo-criteria optimisation problem related to laparoscopic ventral hernia repair is formulated in this paper. An optimal implant from a given set and its orientation is sought. The implant is subjected to kinematic extortions due to a patient’s body movement and intra-abdominal pressure. The first criterion of the optimisation problem deals with the reaction force in the implant fastener, while the deflection of the implant constitutes...
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A pore-scale thermo–hydro-mechanical model for particulate systems
PublicationA pore scale numerical method dedicated to the simulation of heat transfer and associated thermo–hydro-mechanical couplings in granular media is described. The proposed thermo–hydro-mechanical approach builds on an existing hydromechanical model that employs the discrete element method for simulating the mechanical behavior of dense sphere packings and combines it with the finite volume method for simulating pore space fluid flow...
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Multiresolution analysis and adaptive estimation on a sphere using stereographic wavelets
PublicationWe construct an adaptive estimator of a density function on d dimensional unit sphere Sd (d ≥ 2), using a new type of spherical frames. The frames, or as we call them, stereografic wavelets are obtained by transforming a wavelet system, namely Daubechies, using some stereographic operators. We prove that our estimator achieves an optimal rate of convergence on some Besov type class of functions by adapting to unknown smoothness....
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An isogeometric finite element formulation for geometrically exact Timoshenko beams with extensible directors
PublicationAn isogeometric finite element formulation for geometrically and materially nonlinear Timoshenko beams is presented, which incorporates in-plane deformation of the cross-section described by two extensible director vectors. Since those directors belong to the space R3, a configuration can be additively updated. The developed formulation allows direct application of nonlinear three-dimensional constitutive equations without zero...
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A selectively reduced degree basis for efficient mixed nonlinear isogeometric beam formulations with extensible directors
PublicationThe effect of higher order continuity in the solution field by using NURBS basis function in isogeometric analysis (IGA) is investigated for an efficient mixed finite element formulation for elastostatic beams. It is based on the Hu–Washizu variational principle considering geometrical and material nonlinearities. Here we present a reduced degree of basis functions for the additional fields of the stress resultants and strains...
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Galerkin formulations of isogeometric shell analysis: Alleviating locking with Greville quadratures and higher-order elements
PublicationWe propose new quadrature schemes that asymptotically require only four in-plane points for Reissner–Mindlin shell elements and nine in-plane points for Kirchhoff–Love shell elements in B-spline and NURBS-based isogeometric shell analysis, independent of the polynomial degree p of the elements. The quadrature points are Greville abscissae associated with pth-order B-spline basis functions whose continuities depend on the specific...
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Efficient and robust quadratures for isogeometric analysis: Reduced Gauss and Gauss–Greville rules
PublicationThis work proposes two efficient quadrature rules, reduced Gauss quadrature and Gauss–Greville quadrature, for isogeometric analysis. The rules are constructed to exactly integrate one-dimensional B-spline basis functions of degree p, and continuity class C^{p−k}, where k is the highest order of derivatives appearing in the Galerkin formulation of the problem under consideration. This is the same idea we utilized in Zou et al....
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Rapid tolerance‐aware design of miniaturized microwave passives by means of confined‐domain surrogates
PublicationThe effects of uncertainties, primarily manufacturing tolerances but also incomplete information about operating conditions or material parameters, can be detrimental to the performance of microwave components. Quantification of such effects is essential to ensure a meaningful evaluation of the structure, in particular, its reliability under imperfect fabrication procedures. The improvement of the circuit robustness can be achieved...
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Convergence of Monte Carlo algorithm for solving integral equations in light scattering simulations
PublicationThe light scattering process can be modeled mathematically using the Fredholm integral equation. This equation is usually solved after its discretization and transformation into the system of algebraic equations. Volume integral equations can be also solved without discretization using the Monte Carlo (MC) algorithm, but its application to the light scattering simulations has not been sufficiently studied. Here we present implementation...