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Search results for: EMD
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Are stabilizing osmolytes preferentially excluded from the protein surface? FTIR and MD studies
PublicationInteractions between osmolytes and hen egg white lysozyme in aqueous solutions were studied by means of FTIR spectroscopy and molecular dynamics. A combination of difference spectra method and chemometric analysis of spectroscopic data was used to determine the number of osmolyte molecules interacting with the protein, and the preferential interaction coefficient in presented systems. Both osmolytes – L-proline and trimethylamine-N-oxide...
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Fast Multi-Objective Antenna Design Through Variable-Fidelity EM Simulations
PublicationA technique for fast multi-objective antenna optimization is introduced. A kriging interpolation surrogate constructed from sampled coarse-mesh EM simulations is utilized by multi-objective evolutionary algorithm (MOEA) to obtain the initial Pareto front approximation. The surrogate is defined in a subset of the original design space, determined by means of independently optimized individual objectives. Response correction techniques...
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EM-driven topology evolution for bandwidth enhancement of hybrid quadrature patch couplers
PublicationA broad operational bandwidth is one of the key performance figures of hybrid patch couplers. Due to the lack of systematic design procedures, bandwidth enhancement is normally obtained through manual modifications of the structure geometry. In this work, an optimization-based topology evolution for EM-driven design of patch couplers with enhanced bandwidth has been proposed. The method exploits a novel spline-based EM model where...
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Novel structure and EM-driven design of miniaturized microstrip rat-race coupler
PublicationIn this paper, a novel structure and design procedure of a miniaturized microstrip rat-race coupler (RRC) is described. Small size of the RRC is achieved by folding the transmission lines of the conventional circuit into its interior, as well as by implementation of the structure on three layers. The final size of the coupler realized for the operating frequency of 1 GHz is only 220 mm2, which gives over 95% footprint reduction...
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Antenna Modeling Using Variable-Fidelity EM Simulations and Constrained Co-Kriging
PublicationUtilization of fast surrogate models has become a viable alternative to direct handling of fullwave electromagnetic (EM) simulations in EM-driven design. Their purpose is to alleviate the difficulties related to high computational cost of multiple simulations required by the common numerical procedures such as parametric optimization or uncertainty quantification. Yet, conventional data-driven (or approximation) modeling techniques...
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GIUSEPPE VOLPI. IL GRANDE MEDIATORE TRA ISTITUZIONI, POLITICA ED ECONOMIA
PublicationGiuseppe Volpi di Misurata represented a mediation point between different interests both in the economic field and in the complex national – but also regional and local – political balance that long underpinned the fascist regime. This article intends to revisit this figure between the 1920s and the Second World War. The attempt will be made to identify, through an approach that will be chronological and thematic, the passages...
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Implicit Space Mapping for Variable-Fidelity EM-Driven Design of Compact Circuits
PublicationSpace mapping (SM) belongs to the most successful surrogate-based optimization (SBO) methods in microwave engineering. Among available SM variations, implicit SM (ISM) is particularly attractive due to its simplicity and separation of extractable surrogate model parameters and design variables of the circuit/system at hand. Unlike other SM approaches, ISM exploits a set of preassigned parameters to align the surrogate with the...
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Fast Antenna Optimization Using Gradient Monitoring and Variable-Fidelity EM Models
PublicationAccelerated simulation-driven design optimization of antenna structures is proposed. Variable-fidelity electromagnetic (EM) analysis is used as well as the trust-region framework with limited sensitivity updates. The latter are controlled by monitoring the changes of the antenna response gradients. Our methodology is verified using three compact wideband antennas. Comprehensive benchmarking demonstrates its superiority over both...
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Propensity of salicylamide and ethenzamide cocrystallization with aromatic carboxylic acids
PublicationThe cocrystallization of salicylamide (2-hydroxybenzamide, SMD) and ethenzamide (2-ethoxybenzamide, EMD) with aromatic carboxylic acids was examined both experimentally and theoretically. The supramolecular synthesis taking advantage of the droplet evaporative crystallization (DEC) technique was combined with powder diffraction and vibrational spectroscopy as the analytical tools. This led to identification of eleven new cocrystals...
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Avaliação das propriedades de impulso e freqüência em sistemas de aterramento
PublicationBezpieczne uziemienia projektowane dla celów ochrony odgromowej powinny odprowadzać prądy wyładowań atmosferycznych przy możliwie niewielkim spadku napięcia. Dla oceny ich skuteczności należy brać pod uwagę nie tylko ich rezystancję, lecz przede wszystkim impedancję. W pracy porównano wyniki symulacji komputerowych i pomiarów na obiektach rzeczywistych impedancji uziemień mierzonych przy wymuszeniach udarowych oraz wysokoczęstotliwościowych.
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Wykorzystanie pomiarów toru drezyną EM-120 do śledzenia tempa jego deformacji
PublicationW prezentowanym artykule przedstawiono metodykę synchronizacji pomierzonych nierówności geometrycznych w różnych przedziałach czasowych. Tak opracowane pomiary umożliwiły dokonanie analizy trendu deformacji toru na kilku liniach kolejowych.
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Structure recognition in MD-simulated materials: a case study of boroxyl rings in borate glasses
PublicationZanalizowano statystyczne właściwości geometryczne losowo deformowanej jednostki strukturalnej AC_3, gdzie trzy kationyC znajdują się w wierzchołkach trójkąta równobocznego, a anionA - w jego środku. W szczególności opisano rozkłady kątów AAA,ACA i CAA oraz dwóch estymatorów kształtu w funkcji amplitudydeformacji trójkąta. Wyniki analizy stochastycznej zastosowanodo ilościowej oceny stopnia nieuporządkowania w szkle B_2O_3,symulowanym...
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A Comparison between MD and EXAFS extracted Structural Data for TernaryRbBr(1-x)Ix.
PublicationStrukturę trójskładnikowych soli poddano analizie za pomocą metody EXAFS i symulacji M-D. Przedyskutowano przydatność używanego w symulacjach potencjału oddziaływań międzyatomowych.
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Rapid design optimization of antennas using variable-fidelity EM models and adjoint sensitivities
PublicationPurpose – Development of techniques for expedited design optimization of complex and numerically expensive electromagnetic (EM) simulation models of antenna structures validated both numerically and experimentally. The paper aims to discuss these issues. Design/methodology/approach – The optimization task is performed using a technique that combines gradient search with adjoint sensitivities, trust region framework, as well as...
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On Nature-Inspired Design Optimization of Antenna Structures Using Variable-Resolution EM Models
PublicationNumerical optimization has been ubiquitous in antenna design for over a decade or so. It is indispensable in handling of multiple geometry/material parameters, performance goals, and constraints. It is also challenging as it incurs significant CPU expenses, especially when the underlying computational model involves full-wave electromagnetic (EM) analysis. In most practical cases, the latter is imperative to ensure evaluation reliability....
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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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Rapid EM-Driven Design of Compact RF Circuits By Means of Nested Space Mapping
PublicationA methodology for rapid design of RF circuits constituted by compact microstrip resonant-cells (CMRCs) is presented. Our approach exploits nested space mapping (NSM) technology, where the inner SM layer is used to correct the equivalent circuit model at the CMRC level, whereas the outer layer enhances the coarse model of the entire structure under design. We demonstrate that NSM dramatically improves performance of surrogate-based...
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Local-Global Space Mapping for Rapid EM-Driven Design of Compact RF Structures
PublicationIn this work, we introduce a robust and efficient technique for rapid design of compact RF circuits. Our approach exploits two-level space mapping (SM) correction of an equivalent circuit model of the structure under design. The first SM layer (local correction) is utilized to ensure good matching between the equivalent circuit and the electromagnetic model at the component level. On the other hand, the global correction allows...
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Expedited EM-driven multi-objective antenna design in highly-dimensional parameter spaces
PublicationA technique for low-cost multi-objective optimization of antennas in highly-dimensional parameter spaces is presented. The optimization procedure is expedited by exploiting fast surrogate models, including coarse-discretization EM antenna simulations and response surface approximations (RSA). The latter is utilized to yield an initial set of Pareto non-dominated designs which are further refined using response correction methods....
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EM-Driven Multi-Objective Optimization of Antenna Structures in Multi-Dimensional Design Spaces
PublicationFeasible multi-objective optimization of antenna structures is presented. An initial set of Pareto optimal solutions is found using a multi-objective evolutionary algorithm (MOEA) working with a fast surrogate antenna model obtained by kriging interpolation of coarse-discretization EM simulation data. To make the surrogate construction computationally feasible in multi-dimensional design space, the space subset containing non-dominated...
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A Generalized SDP Multi-Objective Optimization Method for EM-Based Microwave Device Design
PublicationIn this article, a generalized sequential domain patching (GSDP) method for efficient multi-objective optimization based on electromagnetics (EM) simulation is proposed. The GSDP method allowing fast searching for Pareto fronts for two and three objectives is elaborated in detail in this paper. The GSDP method is compared with the NSGA-II method using multi-objective problems in the DTLZ series, and the results show the GSDP method...
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EM-Driven Multi-Objective Design of Impedance Transformers By Pareto Ranking Bisection Algorithm
PublicationIn the paper, the problem of fast multi-objective optimization of compact impedance matching transformers is addressed by utilizing a novel Pareto ranking bisection algorithm. It approximates the Pareto front by dividing line segments connecting the designs found in the previous iterations, and refining the obtained candidate solutions by means of poll-type search involving Pareto ranking. The final Pareto set is obtained using...
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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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Expedited Trust-Region-Based Design Closure of Antennas by Variable-Resolution EM Simulations
PublicationThe observed growth in the complexity of modern antenna topologies fostered a widespread employment of numerical optimization methods as the primary tools for final adjustment of the system parameters. This is mainly caused by insufficiency of traditional design closure approaches, largely based on parameter sweeping. Reliable evaluation of complex antenna structures requires full-wave electromagnetic (EM) analysis. Yet, EM-driven...
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Reliable EM-driven size reduction of antenna structures by means of adaptive penalty factors
PublicationMiniaturization has become of paramount importance in the design of modern antenna systems. In particular, compact size is essential for emerging application areas such as internet of things, wearable and implantable devices, 5G technology, or medical imaging. On the other hand, reduction of physical dimensions generally has a detrimental effect on antenna performance. From the perspective of numerical optimization, miniaturization...
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EM‐driven constrained miniaturization of antennas using adaptive in‐band reflection acceptance threshold
PublicationNumerical optimization of geometry parameters is a critical stage of the design process of compact antennas. It is also challenging because size reduction is constrained by the necessity of fulfilling imposed electrical performance requirements. Furthermore, full‐wave electromagnetic (EM) analysis needs to be used for reliable performance evaluation of the antenna structure, which is computationally expensive. In this paper, an...
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A bisection‐based heuristic for rapid EM‐driven multiobjective design of compact impedance transformers
PublicationDesign of microwave structures is a multiobjective task where several conflicting requirements have to be considered at the same time. For contemporary circuits characterized by complex geometries, multiobjective optimization cannot be performed using standard population‐based algorithms due to high cost of electromagnetic (EM) evaluations. In this work, we propose a deterministic approach for fast EM‐driven multiobjective design...
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A design framework for rigorous constrained EM-driven optimization of miniaturized antennas with circular polarization
PublicationCompact radiators with circular polarization are important components of modern mobile communication systems. Their design is a challenging process which requires maintaining simultaneous control over several performance figures but also the structure size. In this work, a novel design framework for multi-stage constrained miniaturization of antennas with circular polarization is presented. The method involves sequential optimization...
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Oznaczanie niezmienionych form lotnych związków bromo- i chloroorganicznych w próbkach płynów biologicznych z wykorzystaniem opracowanej metodyki TLHS-DAI-GC-ECD
PublicationRozprawa doktorska dotyczyła opracowania nowej procedury analitycznej opartej na wykorzystaniu analizy fazy nadpowierzchniowej nad cienkim filmem cieczy z samoczynną generacją strumienia ciekłego sorbentu w połączeniu z chromatografem gazowym wyposażonym w detektor wychwytu elektronów (TLHS-DAI-GC-ECD). Skupiono się na :1. wykonaniu badań optymalizacyjnych poprzedzających walidację metodyki TLHS-DAI-GC-ECD (sprawdzenie trwałości...
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Structure of partially reduced xPbO (1-x)SiO2 glasses: combined EXAFS and MD study
PublicationWykorzystując połączenie metody EXAFS (extended X-ray absorption finestructure) i symulacji MD (molecular dynamics) zbadano strukturęczęściowo zredukowanych szkieł ołowiowo-krzemianowych o różnejstechiometrii wyjściowej. W wyniku analizy uzyskano szczegółowyopis struktury lokalnej wokół atomów ołowiu i jej zmiany w funkcjiskładu szkła i poziomu redukcji. Określono również jaką tendencjędo aglomeracji w metaliczne klastry wykazują...
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Brownian Motion in Optical Tweezers, a Comparison between MD Simulations and Experimental Data in the Ballistic Regime
PublicationThe four most popular water models in molecular dynamics were studied in large-scale simulations of Brownian motion of colloidal particles in optical tweezers and then compared with experimental measurements in the same time scale. We present the most direct comparison of colloidal polystyrene particle diffusion in molecular dynamics simulations and experimental data on the same time scales in the ballistic regime. The four most...
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Fast EM-driven size reduction of antenna structures by means of adjoint sensitivities and trust regions
PublicationIn this letter, a simple yet robust and computationally efficient optimization technique for explicit size reduction of antenna structures is presented. Our approach directly handles the antenna size as the main design objective, while ensuring satisfactory electrical performance by means of suitably defined penalty functions. For the sake of accuracy, the antenna structure is evaluated using high-fidelity EM simulation. In order...
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Nested Space Mapping Technology for Expedite EM-driven Design of Compact RF/microwave Components
PublicationA robust simulation-driven methodology for rapid and reliable design of RF/microwave circuits comprising compact microstrip resonant cells (CMRCs) is presented. We introduce a nested space mapping (NSM) technology, in which the inner space mapping layer is utilized to improve the generalization capabilities of the equivalent circuit model corresponding to a constitutive element of the circuit under consideration. The outer layer...
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Low-cost EM-Simulation-based Multi-objective Design Optimization of Miniaturized Microwave Structures
PublicationIn this work, a simple yet reliable technique for fast multi-objective design optimization of miniaturized microwave structures is discussed. The proposed methodology is based on point-by-point identification of a Pareto-optimal set of designs representing the best possible trade-offs between conflicting objectives such as electrical performance parameters as well as the size of the structure of interest. For the sake of computational...
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Model Correction and Optimization Framework for Expedited EM-Driven Surrogate-Assisted Design of Compact Antennas
PublicationDesign of compact antennas is a numerically challenging process that heavily relies on electromagnetic (EM) simulations and numerical optimization algorithms. For reliability of simulation results, EM models of small radiators often include connectors which—despite being components with fixed dimensions—significantly contribute to evaluation cost. In this letter, a response correction method for antenna models without connector,...
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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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Lokalizacja rozjazdów w plikach wyników pomiarów uzyskiwanych z drezyny pomiarowej EM-120
PublicationPliki z wynikami pomiarów wykonywanych za pomocą drezyny pomiarowej EM-120 zawierają m.in. informacje o lokalizacji w torze lub jego pobliżu charakterystycznych punktów stałych: mostów, przejazdów kolejowo-drogowych, rozjazdów, semaforów i stacji. Dla oceny postępu degradacji toru w trakcie jego eksploatacji szczególne znaczenie mają informacje o położeniu rozjazdów. W referacie przedstawiono obecnie stosowany sposób wprowadzania...
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Expedited EM-Driven Design of Miniaturized Microwave Hybrid Couplers Using Surrogate-Based Optimization
PublicationMiniaturization of microwave hybrid couplers is important for contemporary wireless communication engineering. Using standard computer-aided design methods for development of compact structures is extremely challenging due to a general lack of computationally efficient and accurate simulation models. Poor accuracy of available equivalent circuits results from neglecting parasitic cross-couplings that greatly affect the performance...
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Improved-Efficacy EM-Based Antenna Miniaturization by Multi-Fidelity Simulations and Objective Function Adaptation
PublicationThe growing demands for integration of surface mount design (SMD) antennas into miniatur-ized electronic devices have been continuously imposing limitations on the structure dimen-sions. Examples include embedded antennas in applications such as on-board devices, picosatel-lites, 5G communications, or implantable and wearable devices. The demands for size reduction while ensuring a satisfactory level of the electrical and field...
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Rapid Yield Optimization of Miniaturized Microwave Passives by Response Features and Variable-Fidelity EM Simulations
PublicationThe operation of high-frequency devices, including microwave passive components, can be impaired by fabrication tolerances but also incomplete knowledge concerning operating conditions (temperature, input power levels) and material parameters (e.g., substrate permittivity). Although the accuracy of manufacturing processes is always limited, the effects of parameter deviations can be accounted for in advance at the design phase...
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Molecular Dynamics to Predict Cryo-EM: Capturing Transitions and Short-Lived Conformational States of Biomolecules
PublicationSingle-particle cryogenic electron microscopy (cryo-EM) has revolutionized the field of the structural biology, providing an access to the atomic resolution structures of large biomolecular complexes in their near-native environment. Today’s cryo-EM maps can frequently reach the atomic-level resolution, while often containing a range of resolutions, with conformationally variable regions obtained at 6 Å or worse. Low resolution...
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Machine-Learning-Powered EM-Based Framework for Efficient and Reliable Design of Low Scattering Metasurfaces
PublicationPopularity of metasurfaces has been continuously growing due to their attractive properties including the ability to effectively manipulate electromagnetic (EM) waves. Metasurfaces comprise optimized geometries of unit cells arranged as a periodic lattice to obtain a desired EM response. One of their emerging application areas is the stealth technology, in particular, realization of radar cross section (RCS) reduction. Despite...
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Cost-Efficient EM-Driven Size Reduction of Antenna Structures by Multi-Fidelity Simulation Models
PublicationDesign of antenna systems for emerging application areas such as the Internet of Things (IoT), fifth generation wireless communications (5G), or remote sensing, is a challenging endeavor. In addition to meeting stringent performance specifications concerning electrical and field properties, the structure has to maintain small physical dimensions. The latter normally requires searching for trade-off solutions because miniaturization...
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Wpływ filtru wyjściowego falownika na generowanie zaburzeń w przewodzie ochronnym. III Krajowe Sympozjum Kompatybilność Elektromagnetyczna w Elektrotechnice i Elektronice, EMC´03.
PublicationW artykule zamieszczono wyniki badań zaburzeń występujących w przewodzie ochronnym silnika asynchronicznego klatkowego zasilanego z sieci elektroenergetycznej przez przemiennik częstotliwości. Widma zaburzeń powodowane zmianą stanu łączników półprzewodnikowych w przemiennikach częstotliwości określono w zakresie częstotliwości 10kHz - 150kHz, 150kHz - 30MHz. Dla badanego układu zamieszczono przykładowe amplitudy harmonicznych...
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Cover Feature: Electronic Circular Dichroism Imaging (ECD i ) Casts a New Light on the Origin of Solid‐State Chiroptical Properties (Chem. Eur. J. 4/2022)
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State-of-the-Art Review on Determining One-Dimensional Consolidation Parameters Based on Compression and Distribution of Pore Water Pressure: Coefficient of Consolidation (cv), End of Primary (EOP) Consolidation
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Strukturuvannaa epoksi-oligoesternih sumiščej v prisutnosti peroksidnoï pohidnoï epoksidnoï smoli ED-20
PublicationW pracy przedstawiono wyniki badań sieciowania mieszanin epoksyoligoestrów opartych na żywicy epoksydowej ED-20 (w tym modyfikowanej) oraz m.in. na oligoestroakrylanie TGM-3, przy czym jako utwardzacz zastosowano polietylenopoliaminę (PEPA).Usieciowane tworzywa analizowano pod kątem wpływu składu mieszaniny, ilości poszczególnych składników, jak również czasu i temperatury prowadzenia procesu na zawartość frakcji żelowej oraz twardość...
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UNRES-Dock—protein–protein and peptide–protein docking by coarse-grained replica-exchange MD simulations
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Initializing the EM Algorithm for Univariate Gaussian, Multi-Component, Heteroscedastic Mixture Models by Dynamic Programming Partitions
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Machine-Learning-Based Global Optimization of Microwave Passives with Variable-Fidelity EM Models and Response Features
PublicationMaximizing microwave passive component performance demands precise parameter tuning, particularly as modern circuits grow increasingly intricate. Yet, achieving this often requires a comprehensive approach due to their complex geometries and miniaturized structures. However, the computational burden of optimizing these components via full-wave electromagnetic (EM) simulations is substantial. EM analysis remains crucial for circuit...