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Search results for: MODEL COUPLING
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Formation of Secondary and Supersecondary Structure of Proteins as a Result of Coupling Between Local and Backbone-Electrostatic Interactions: A View Through Cluster-Cumulant Scope
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Application of Monoferrocenylsumanenes Derived from Sonogashira Cross-Coupling or Click Chemistry Reactions in Highly Sensitive and Selective Cesium Cation Electrochemical Sensors
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A chemo-mechano-thermodynamical contact theory for adhesion, friction, and (de)bonding reactions
PublicationThis work presents a self-contained continuum formulation for coupled chemical, mechanical, and thermal contact interactions. The formulation is very general and, hence, admits arbitrary geometry, deformation, and material behavior. All model equations are derived rigorously from the balance laws of mass, momentum, energy, and entropy in the framework of irreversible thermodynamics, thus exposing all the coupling present in the...
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Dimensional Synthesis of Coupled-Resonator Pseudoelliptic Microwave Bandpass Filters with Constant and Dispersive Couplings
PublicationIn this paper, we propose a novel technique for the dimensional synthesis of coupled-resonator pseudoelliptic microwave filters with constant and dispersive couplings. The proposed technique is based on numerical simulations of small structures, involving up to two adjacent resonators, and it accounts for a loading effect from other resonators by replacing them with terminations coupled through appropriately scaled inverters. The...
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On rotational instability within the nonlinear six-parameter shell theory
PublicationWithin the six-parameter nonlinear shell theory we analyzed the in-plane rotational instability which oc- curs under in-plane tensile loading. For plane deformations the considered shell model coincides up to notations with the geometrically nonlinear Cosserat continuum under plane stress conditions. So we con- sidered here both large translations and rotations. The constitutive relations contain some additional mi- cropolar parameters...
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Enhancement of the Magnetic Coupling in Exfoliated CrCl 3 Crystals Observed by Low‐Temperature Magnetic Force Microscopy and X‐ray Magnetic Circular Dichroism
PublicationMagnetic crystals formed by 2D layers interacting by weak van der Waals forces are currently a hot research topic. When these crystals are thinned to nanometric size, they can manifest strikingly different magnetic behavior compared to the bulk form. This can be the result of, for example, quantum electronic confinement effects, the presence of defects, or pinning of the crystallographic structure in metastable phases induced by...
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On the coupling of hydride generation with atmospheric pressure glow discharge in contact with the flowing liquid cathode for the determination of arsenic, antimony and selenium with optical emission spectrometry
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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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HYDROGEN PRODUCTION PERFORMANCE IN THERMOCATALYTIC REACTOR BASED ON THE INTERMETALLIC PHASE OF NI3AL
PublicationThe main aim of the following paper is mathematical modelling for momentum, heat and mass transfer, which is accompanied by chemical surface reactions of the flow of the mixture helium and methanol. The thermocatalytic devices used for decomposition of hydrocarbons incorporate vertical microchannels coupling at the ends and heated to 500 oC at the walls. The results of the experiment were compared with CFD calculations to calibrate...
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Multi-mode vibronic interactions in the five lowest electronic states of the fluorobenzene radical cation
PublicationThe multi-mode vibronic interactions between the five lowest electronic states of the fluorobenzene radical cation are investigated theoretically, based on ab initio electronic structure data, and employing the linear vibronic coupling model. Low-energy conical intersections, and strong vibronic couplings are found to prevail within the set of X-A and B-C-D cationic states, while the interactions between these two sets of states...
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Implementation of Solute Transport in the Vadose Zone into the “HYDRUS Package for MODFLOW”
PublicationThe “HYDRUS package for MODFLOW” is an existing MODFLOW package that allows MODFLOW to simultaneously evaluate transient water flow in both unsaturated and saturated zones. The package is based on incorporating parts of the HYDRUS‐1D model (to simulate unsaturated water flow in the vadose zone) into MODFLOW (to simulate saturated groundwater flow). The coupled model is effective in addressing spatially variable saturated‐unsaturated...
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Zastosowanie programu SCA w badaniu zakłóceń sprzężenia podłożowego w układach scalonych CMOS
PublicationW pracy przedstawiono charakterystykę programu SCA (Substrate Coupling Analysis), który służy do generowania impedancyjnego modelu podłoża układu scalonego na podstawie danych topografii układu oraz parametrów technologii. Format danych wejściowych oraz model podłoża zaprezentowano na przykładzie układu inwertera CMOS. Przedstawiono również wyniki symulacji mieszanego układu scalonego: dzielnik częstotliwości i analogowe źródło...
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Propargylamines in Pd/Cu-catalyzed tandem coupling-cyclization-N-deprotection in a single pot: Construction of N-unsubstituted vs N-sulfonyl indole ring
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Modelling of mutual coupling in microstrip antenna arrays fed by microstrip line. Modelowanie sprzężenia w szykach anten mikropaskowych zasilanych przez linie mikropaskowe.
PublicationPrzedstawiono wyniki modelowania sprzężenia pomiędzy prostokątnymi radiatorami mikropaskowymi w szyku liniowym anten zasilanych przez linie mikropaskowe. Zaproponowano schemat zastępczy sprzężenia w postaci kombinacji linii transmisyjnych wraz z sękami zwartymi i rozwartymi. Pokazano, że schemat taki dobrze modeluje sprzężenie w wąskim pasmie częstotliwości ok. 4%. Wyniki modelowania sprawdzono eksperymentalnie poprzez pomiary...
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Shielded coupled strip and slot guides with a thin omega pseudochiral medium layer
PublicationA method of moments combined with mode matching technique is applied to analyze the shielded coupled strip and slot line structures containing a thin plate of Omega pseudochiral medium. The boundary problems are simplified by introducing for omega medium the approximate continuity conditions. Such mathematical model allows to examine the field displacement effect appearing in the considered guide resulting from the coupling between...
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A new index for statistical analyses and prediction of travelling ionospheric disturbances
PublicationTravelling Ionospheric Disturbances (TIDs) are signatures of atmospheric gravity waves (AGWs) observed in changes in the electron density. The analysis of TIDs is relevant for studying coupling processes in the thermosphere–ionosphere system. A new TID index is introduced, which is based on an easy extension of the commonly used approach for TID detection. This TID activity index, which can be applied for individual Global Navigation...
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Pressure effects on the electronic structure and superconductivity of (TaNb)0.67(HfZrTi)0.33 high entropy alloy
PublicationEffects of pressure on the electronic structure, electron-phonon interaction, and superconductivity of the high entropy alloy ( TaNb ) 0.67 ( HfZrTi ) 0.33 are studied in the pressure range 0–100 GPa. The electronic structure is calculated using the Korringa-Kohn-Rostoker method with the coherent potential approximation. Effects of pressure on the lattice dynamics are simulated using the Debye-Grüneisen model and the Grüneisen...
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Stability Analysis of Shunt Active Power Filter with Predictive Closed-Loop Control of Supply Current
PublicationThis paper presents a shunt active power filter connected to the grid via an LCL coupling circuit with implemented closed‐loop control. The proposed control system allows selective harmonic currents compensation up to the 50th harmonic with the utilization of a model‐based predictive current controller. As the system is fully predictive, it provides high effectiveness of the harmonic reduction, which is proved by waveforms achieved...
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Reduced-cost surrogate modelling of compact microwave components by two-level kriging interpolation
PublicationFull-wave electromagnetic (EM) analysis is a versatile tool for evaluating the performance of high-frequency components. Its potential drawback is its high computational cost, inhibiting the execution of EM-driven tasks requiring massive simulations. The applicability of equivalent network models is limited owing to the topological complexity of compact microstrip components because of EM cross-coupling effects. Development of...
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Looking for a minimum exergy destruction in hierarchical cycle
PublicationThe paper presents results of energy analysis, complemented with an exergy balance, of hierarchical thermodynamic cycle. Proposed cycle is a binary vapour cycle based on a model of real supercritical steam power plant. Energy analysis is used to preliminary optimization of the cycle and the exergy losses analysis is proposed to perform optimization of heat transfer processes, which are essential for hierarchical cycles. Proposed...
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Inverse modeling for fast design optimization of small-size rat-race couplers incorporating compact cells
PublicationIn the paper, a framework for computationally-efficient design optimization of compact rat-race couplers (RRCs) is discussed. A class of hybrid RRCs with variable operating conditions is investigated, whose size reduction is obtained by replacing ordinary transmission lines with compact microstrip resonant cells (CMRCs). Our approach employs a bottom-up design strategy leading to the development of compact RRCs through rapid design...
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Exergy Losses in the Szewalski Binary Vapor Cycle
PublicationIn this publication, we present an energy and exergy analysis of the Szewalski binary vapor cycle based on a model of a supercritical steam power plant. We used energy analysis to conduct a preliminary optimization of the cycle. Exergy loss analysis was employed to perform a comparison of heat-transfer processes, which are essential for hierarchical cycles. The Szewalski binary vapor cycle consists of a steam cycle bottomed with...
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A new open-source software developed for numerical simulations usingdiscrete modeling methods
PublicationThe purpose of this work is to present the development of an open-source software based on a discrete description of matter applied to study the behavior of geomaterials. This software uses Object Oriented Programming techniques, and its methodology design uses three different methods, which are the Discrete Element Method (DEM) [F. Donzé, S.A. Magnier, Formulation of a three-dimensional numerical model of brittle behavior, Geophys....
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Piezo 2011, Electroceramics for End-Users VI
PublicationThis work extends a power harvesting with using piezoelectric materials. Experimental presents the development of a piezoelectric MEMS generator which has the ability to scavenge mechanical energy of ambient vibrations from their surroundings and transform it into electrical energy that can be used in energy storage applications. Recent literature shows that piezoelectric transduction has received the most attention for vibration-to-electricity...
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Coupling of cold vapor generation with an atmospheric pressure glow microdischarge sustained between a miniature flow helium jet and a flowing liquid cathode for the determination of mercury by optical emission spectrometry
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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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Photoconduction and magnetic field effect on photoconduction in hole-transporting star-burst amine (m-MTDATA) films
PublicationPhotoconduction and magnetic field effect on photoconduction have been investigated as a function of electric field strength, excitation light intensity and wavelength in vacuum evaporated films of m-MTDATA (4,4′,4″-tris(N-(3-methylphenyl)-N-phenylylamino) triphenylamine), the starburst amine commonly used as hole-transporting material in organic light-emitting diodes. The photocurrent is found to be generated by the singlet exciton...
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A Linear Phase Filter in Quadruplet Topology With Frequency-Dependent Couplings
PublicationThis letter presents a design of a linear phase microwave bandpass filter. The filter is composed of four resonators arranged in the quadruplet topology. Making the cross and one direct coupling dispersive gives additional design flexibility. The first advantage of using frequency-dependent couplings is the possibility to chose an arbitrary location of a pair of complex transmission zeros (TZs) in the s-domain. The second one is...
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Numerical simulation of cold flow and combustion in a swirl stabilized combustor
PublicationA numerical simulation model was developed to investigate the cold flow and combustion using Ansys FLUENT 2021R1. The governing equations were solved using the pressure-based method, and pressure–velocity coupling was performed using the SIMPLE method. To model the turbulent process, the RSM model was used. Non-premixed model is chosen to solve the chemical kinetics between fuel and oxigen. Radiation heat transfer was calculated...
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Spatial Heterogeneity Impacts of Bilateral Foreign Direct Investment on Green Energy Efficiency in China
PublicationAt present, green energy transformation and climate policy are increasingly connected. The need to improve national competitiveness and implement climate and energy strategies means that an energy-consuming country like China must rapidly enhance its green energy efficiency (GEE) and energy consumption structure. The following paper contributes to the existing literature by analyzing the effects of bilateral FDI on GEE from...
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Dynamical description of quantum computing: generic nonlocality of quantumnoise
PublicationWe develop a dynamical non-Markovian description of quantum computing in the weak-coupling limit, in the lowest-order approximation. We show that the long-range memory of the quantum reservoir (such as the 1/t4 one exhibited by electromagnetic vacuum) produces a strong interrelation between the structure of noise and the quantum algorithm, implying nonlocal attacks of noise. This shows that the implicit assumption of quantum error...
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Fast surrogate-assisted simulation-driven design of compact microwave hybrid couplers
PublicationThis work presents a robust methodology for expedited simulation-driven design optimization of compact microwave hybrid couplers. The technique relies on problem decomposition, and a bot-tom–up design strategy, starting from the level of basic building blocks of the coupler, and finishing with a tuning procedure that exploits a fast surrogate model of the entire structure. The latter is constructed by cascading local response surface...
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On Nonlinear Bending Study of a Piezo-Flexomagnetic Nanobeam Based on an Analytical-Numerical Solution
PublicationAmong various magneto-elastic phenomena, flexomagnetic (FM) coupling can be defined as a dependence between strain gradient and magnetic polarization and, contrariwise, elastic strain and magnetic field gradient. This feature is a higher-order one than piezomagnetic, which is the magnetic response to strain. At the nanoscale, where large strain gradients are expected, the FM effect is significant and could be even dominant. In...
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Rapid design of miniaturised branch-line couplers through concurrent cell optimisation and surrogate-assisted fine-tuning
PublicationIn this study, the authors introduce a methodology for low-cost simulation-driven design optimisation of highly miniaturised branch-line couplers (BLCs). The first stage of their design approach exploits fast concurrent optimisation of geometrically dependent, but electromagnetically isolated cells that constitute a BLC. The cross-coupling effects between the cells are taken into account in the second stage, where a surrogate-assisted...
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Resonances and Dissociative Electron Attachment in HNCO
PublicationIn a combined experimental and theoretical study, we probe the dissociative electron attachment in isocyanic acid HNCO. The experimental absolute cross section for the NCO− fragment shows a sharp onset and fine structures near the threshold. The autoionizing state responsible for the dissociative attachment is found in both the R-matrix calculation and using analytic continuation in the coupling constant. The involved A' resonance...
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Simplified approach to assess the dynamic response of a container ship subjected to bow slamming load
PublicationSimplified approach to assess the dynamic response of a container ship subjected to the bow slamming load, resulting in a transient vibratory response, typically called a 'whip-ping', is presented. The accurate numerical modelling is very complex and involves cou-pling of the hydrodynamic and structural solution at every time step, leading to huge com-putational and workload cost. Thus, the one-way coupling methodology is adopted,...
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Fluid–Structure Interaction methods for the progressive anatomical and artificial aortic valve stenosis
PublicationCardiovascular system diseases, as aortic valve stenosis, are the main cause of mortality and morbidity among patients. There is still a room for enhancement of the diagnostic and therapeutic procedures, which will lead to improvement of the treatment. One of the remedies are the computer tools to support the medical diagnoses and prostheses design. The development of a procedure for modeling the aortic valves: anatomical tricuspid...
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On a 3D material modelling of smart nanocomposite structures
PublicationSmart composites (SCs) are utilized in electro-mechanical systems such as actuators and energy harvesters. Typically, thin-walled components such as beams, plates, and shells are employed as structural elements to achieve the mechanical behavior desired in these composites. SCs exhibit various advanced properties, ranging from lower order phenomena like piezoelectricity and piezomagneticity, to higher order effects including flexoelectricity...
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On Computationally-Efficient Reference Design Acquisition for Reduced-Cost Constrained Modeling and Re-Design of Compact Microwave Passives
PublicationFull-wave electromagnetic (EM) analysis has been playing a major role in the design of microwave components for the last few decades. In particular, EM tools allow for accurate evaluation of electrical performance of miniaturized structures where strong cross-coupling effects cannot be adequately quantified using equivalent network models. However, EM-based design procedures (parametric optimization, statistical analysis) generate...
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Low-Cost Modeling of Microwave Components by Means of Two-Stage Inverse/Forward Surrogates and Domain Confinement
PublicationFull-wave electromagnetic (EM) analysis is one of the most important tools in the design of modern microwave components and systems. EM simulation permits reliable evaluation of circuits at the presence of cross-coupling effects or substrate anisotropy, as well as for accounting for interactions with the immediate environment. However, repetitive analyses required by EM-driven procedures, such as parametric optimization or statistical...
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Compact Quasi-Elliptic-Type Inline Waveguide Bandpass Filters With Nonlinear Frequency-Variant Couplings
PublicationThis work presents the design techniques to synthesize a class of compact inline quasi-elliptic-type waveguide cavity bandpass filters based on novel nonlinear frequency-variant couplings (NFVCs). These highly dispersive frequency-variant couplings (FVCs) are realized by means of a pair of partial-height posts that are placed at the junctions between every two cavity resonators. Each NFVC produces a transmission pole in between...
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Spectroscopic and photophysical properties of ZNTPP in a room temperature ionic liquid
PublicationThe steady-state absorption and emission spectra and the time-resolved Soret- and Q-band excited fluorescence profiles of the model metalloporphyrin, ZnTPP, have been measured in a highly purified sample of the common room temperature ionic liquid, [bmim][PF(6)]. S(2)-S(0) emission resulting from Soret-band excitation behaves in a manner completely consistent with that of molecular solvents of the same polarizability. The ionic...
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Water-mediated influence of a crowded environment on internal vibrations of a protein molecule
PublicationThe influence of crowding on the protein inner dynamics is examined by putting a single protein molecule close to one or two neighboring protein molecules. The presence of additional molecules influences the amplitudes of protein fluctuations. Also, a weak dynamical coupling of collective velocities of surface atoms of proteins separated by a layer of water is detected. The possible mechanisms of these phenomena are described....
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Ultra-Compact SIRC-Based Self-Triplexing Antenna with High Isolation
PublicationAn ultra-compact self-triplexing antenna realized on a substrate-integrated rectangular cavity (SIRC) is discussed in this study. The proposed structure employs two L-shaped slots and an in-verted U-shaped slot to radiate at three independent operating frequency bands. Three 50-ohm microstrip feed lines are used to excite the radiation in these slots. The operating frequency is individually tuned using the slot size. The slot placement...
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Load path sensitivity and multiaxial fatigue life prediction of metals under non-proportional loadings
PublicationEngineering components often operate under complex loadings, in which the variable amplitude multiaxial stresses are raised by geometric discontinuities including holes, grooves, fillets and shoulders, etc. Besides, the non-proportional loading will lead to the rotation of maximum principal stress/strain and additional fatigue damage of structural elements in service. Consequently, the multiaxial and non-proportional loading have...
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Fast Design Closure of Compact Microwave Components by Means of Feature-Based Metamodels
PublicationPrecise tuning of geometry parameters is an important consideration in the design of modern microwave passive components. It is mandatory due to limitations of theoretical design methods unable to quantify certain phenomena that are important for the operation and performance of the devices (e.g., strong cross-coupling effects in miniaturized layouts). Consequently, the initial designs obtained using analytical or equivalent network...
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Reliable Surrogate Modeling of Antenna Input Characteristics by Means of Domain Confinement and Principal Components
PublicationA reliable design of contemporary antenna structures necessarily involves full-wave electromagnetic (EM) analysis which is the only tool capable of accounting, for example, for element coupling or the effects of connectors. As EM simulations tend to be CPU-intensive, surrogate modeling allows for relieving the computational overhead of design tasks that require numerous analyses, for example, parametric optimization or uncertainty...
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The influence of frequency separation on imaging properties in DFEIT
PublicationW artykule przedstawiono wpływ wyboru składowych częstotliwościowych dla różnicowej tomografii impedancyjnej na wynik i własności obrazowania w dwuczęstotliwościowej różnicowej tomografii impedancyjnej.A Dual Frequency EIT is an extension of a traditional EIT that uses two sinusoidal signals for imaging. Appropriate selection of signals' frequency allows to achieve reasonable contrast of imaged structure. It has already been shown...
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Mitigating the seismic pounding of multi-story buildings in series using linear and nonlinear fluid viscous dampers
PublicationSeismic-induced pounding between adjacent buildings may have serious consequences, ranging from minor damage up to total collapse. Therefore, researchers try to mitigate the pounding problem using different methods, such as coupling the adjacent buildings with stiff beams, connecting them by using viscoelastic links, and installing damping devices in each building individually. In the current paper, the effect of using linear and...
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Microwave Characterization of Dielectric Sheets in a Plano-Concave Fabry-Perot Open Resonator
PublicationDespite its long history, a double-concave (DC) Fabry-Perot open resonator (FPOR) has recently gained popularity in the characterization of dielectrics in the 20–110 GHz range, mainly due to such novel accomplishments as full automation of the measurement process and the development of even ore accurate and computationally efficient electromagnetic model. However, it has been discovered that such a DC resonator suffers from unwanted...