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Search results for: FINITE-GAP POTENTIAL
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Nitrogen-incorporated boron-doped diamond films for enhanced electrochemical supercapacitor performance
PublicationThe electrochemical (EC) supercapacitor, known for its rapid charging, reliability, and versatile applications, demands optimized electrode characteristics and an understanding of their electrochemical behaviour. Although boron-doped diamond (BDD) holds promise as a supercapacitor electrode, a crucial gap exists in comprehending its material behaviour under specific growth conditions. Here, nitrogen-incorporated BDD (N-BDD) films...
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Upward convergence patterns in chosen environmental-related SDGs
PublicationSustainable development is a challenge facing humanity. EU countries not only strive to reach their specific objectives, but they also work collaboratively towards shared goals. There is a need to balance synergies and compromises to address these objectives effectively. When discussing countries' development and people's well-being, one often focuses on socio-economic development. However, it is crucial not to overlook the environmental...
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Training of Deep Learning Models Using Synthetic Datasets
PublicationIn order to solve increasingly complex problems, the complexity of Deep Neural Networks also needs to be constantly increased, and therefore training such networks requires more and more data. Unfortunately, obtaining such massive real world training data to optimize neural networks parameters is a challenging and time-consuming task. To solve this problem, we propose an easy-touse and general approach to training deep learning...
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A New Expression System Based on Psychrotolerant Debaryomyces macquariensis Yeast and Its Application to the Production of Cold-Active β-D-Galactosidase from Paracoccus sp. 32d
PublicationYeasts provide attractive host/vector systems for heterologous gene expression. The currently used yeast-based expression platforms include mesophilic and thermotolerant species. A eukaryotic expression system working at low temperatures could be particularly useful for the production of thermolabile proteins and proteins that tend to form insoluble aggregates. For this purpose, an expression system based on an Antarctic psychrotolerant...
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Light4Health eLearning Course: health research for interior lighting design. Re-thinking design approaches based on science
PublicationThis paper presents the results of 'Light4Health' (L4H), a three-year EU Erasmus+ Strategic Partnership grant project (2019-2021), which investigated, systematized and taught health-related research on the impact of natural and artificial light on human health and well-being relevant to indoor lighting design. The objective was to re-think evidence-based lighting design approaches for residential, working/educational, and healthcare...
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Comparative analysis of the flow control over a circular cylinder with detached flexible and rigid splitter plates
PublicationA comparative study is performed on a circular cylinder with both flexible and rigid splitter plates (SPs). This study has the novelty of using single and dual detached SPs located downstream of the cylinder. The dimensionless gap distance between the first splitter plate and the cylinder as well as the distance between the SPs are varied. The strain of flexible SPs can be used for energy harvesting from the flow. Therefore, a...
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Psychosocial risks associated with the profession of train driver
PublicationExcellent competencies as well as a good physical and mental health are required in train drivers’ profession. Despite the changes in the structure of employment the train drivers above 46 years and job tenure longer than 30 years are the largest group. The generation gap is becoming more pronounced, and its fulfilment will not be easy. It is related not only to training of new personnel but also promotion of healthy work environment...
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Advanced Potential Energy Surfaces for Molecular Simulation
PublicationAdvanced potential energy surfaces are defined as theoretical models that explicitly include many-body effects that transcend the standard fixed-charge, pairwise-additive paradigm typically used in molecular simulation. However, several factors relating to their software implementation have precluded their widespread use in condensed-phase simulations: the computational cost of the theoretical models, a paucity of approximate models...
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Existence and uniqueness of monotone and bounded solutions for a finite-difference discretization a` la Mickens of the generalized Burgers–Huxley equation.
PublicationDeparting from a generalized Burgers–Huxley partial differential equation, we provide a Mickens-type, nonlinear, finite-difference discretization of this model. The continuous system is a nonlinear regime for which the existence of travelling-wave solutions has been established previously in the literature. We prove that the method proposed also preserves many of the relevant characteristics of these solutions, such as the positivity,...
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Application of the distributed transfer function method and the rigid finite element method for modelling of 2-D and 3-D systems
PublicationIn the paper application of the Distributed Transfer Function Method and the Rigid Finite Element Method for modelling of 2-D and 3-D systems is presented. In this method an elastic body is divided into 1-D distributed parameter elements (strips or prisms). The whole body (divided into strips or prism) is described by a set of coupled partial differential equations. Solving this equations in the state space form it is possible...
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A review on electrospun membranes for potential air filtration application
PublicationAir pollution is one of the major environmental concerns in most highly populated cities, which is typically caused by particulate (PM2.5 and PM0.1) or gaseous pollutants that can be removed using electrospun membranes. These membranes are characterized by different features in terms of uniform and controllable structure, tuneable porosity, and high surface area, where their separation efficiency strongly depends on their properties....
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Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi and Delta gerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries singlet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the five excited states of the symmetry triplet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the singlet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the ground state and three excited states of the symmetry singlet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Adiabatic potential energy curves of the singlet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry singlet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry triplet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi and Delta ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi and Delta ungerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries triplet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Modeling by finite element methods of impact of erosion on frequency of normal modes of L-0 blade
PublicationAfter some time of exploitation steam turbine rotors blades in energetic industry they are being eroded and also their frequency of normal modes is changed. Those changes can cause to unwanted shift of blades normal mode frequencies. It is necessary to find quick method of rating changes of frequency in connection of mass loss due erosion. The evaluation of this dependence was made by finite element modeling method using HyperWorks...
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Computer-Aided Calculations of Earth Potential Rise in High Voltage Overhead Lines
PublicationHigh voltage overhead power lines with earth wires comprise towers made of conductive material. Some towers are in locations where people can be expected to be either for a long time or for a short time but very frequently. Evaluation of shock hazard near such towers requires calculation of line-to-earth short-circuit current, earth current and especially earth potential rise. Number of towers in high voltage power lines can exceed...
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Application of the neural networks for developing new parametrization of the Tersoff potential for carbon
PublicationPenta-graphene (PG) is a 2D carbon allotrope composed of a layer of pentagons having sp2- and sp3-bonded carbon atoms. A study carried out in 2018 has shown that the parameterization of the Tersoff potential proposed in 2005 by Ehrhart and Able (T05 potential) performs better than other potentials available for carbon, being able to reproduce structural and mechanical properties of the PG. In this work, we tried to improve the...
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Unveiling the Pool of Metallophores in Native Environments and Correlation with Their Potential Producers
PublicationFor many organisms, metallophores are essential biogenic ligands that ensure metal scavenging and acquisition from their environment. Their identification is challenging in highly organic matter rich environments like peatlands due to low solubilization and metal scarcity and high matrix complexity. In contrast to common approaches based on sample modification by spiking of metal isotope tags, we have developed a two-dimensional...
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Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma gerade plus (dSg+) states have been calculated for the Lithium dimer cation (Li2+). The results of the ground state and four excited states of the symmetry doublet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma ungerade plus (dSu+) states have been calculated for the Lithium dimer cation (Li2+). The results of the five excited states of the symmetry doublet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Dimethyl ether (DME) as potential environmental friendly fuel
PublicationIn recent years, there has been a growing interest in replacing petroleum fuels with so-called second generation environmental friendly fuels. Compared to traditional petroleum fuels dimethyl ether (DME) could be used as a clean high-efficiency compression ignition fuel with reduced particulate matter (PM), sulfur oxides (SOx), hydrocarbons (HC), carbon monoxide (CO) as well as combustion noise. Compared to some of the other leading...
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Finite Differences-Finite Elements-Finite Volumes-Boundary Elements
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A new anisotropic bending model for nonlinear shells: Comparison with existing models and isogeometric finite element implementation
PublicationA new nonlinear hyperelastic bending model for shells formulated directly in surface form is presented, and compared to four existing prominent bending models. Through an essential set of elementary nonlinear bending test cases, the membrane and bending stresses of each model are examined analytically. Only the proposed bending model passes all the test cases, while the other bending models either fail or only pass the test cases for...
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Whole-genome sequencing and antimicrobial potential of bacteria isolated from Polish honey
PublicationThe aim of this study was the whole-genome analysis and assessment of the antimicrobial potential of bacterial isolates from honey harvested in one geographical location—the north of Poland. In total, 132 strains were derived from three honey samples, and the antimicrobial activity of CFAM (cell-free after-culture medium) was used as a criterion for strain selection and detailed genomic investigation. Two of the tested isolates...
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A finite element analysis of thermal energy inclination based on ternary hybrid nanoparticles influenced by induced magnetic field
PublicationThe use of hybrid nanoparticles to improve thermal processes is a key method that has implications for a variety of interventions utilized in many sectors. This paper aimed to look into the impacts of ternary nanoparticles on hyperbolic tangent materials to establish their thermal characteristics. Flow describing equations have been explored in the presence of heat production, non-Fourier heat flux, and an induced magnetic field....
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An analytical four-layer horizontal electric current dipole model for analysing underwater electric potential in shallow seawater
PublicationThe paper presents a new analytical four‑layer (air–water–bottom–non‑conductive layer) horizontal electric dipole model which allows an accurate approximation of ship’s Underwater Electric Potential (UEP) from a sufficient depth in shallow coastal marine waters. The numerical methods, usually Finite Element Method (FEM) or Boundary Elements Method (BEM), are typically used to estimate the electric field and the distribution of...
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Hydrogen Storage in Geological Formations—The Potential of Salt Caverns
PublicationHydrogen-based technologies are among the most promising solutions to fulfill the ze- ro-emission scenario and ensure the energy independence of many countries. Hydrogen is considered a green energy carrier, which can be utilized in the energy, transport, and chemical sectors. However, efficient and safe large-scale hydrogen storage is still challenging. The most frequently used hydrogen storage solutions in industry, i.e., compression...
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Artur Gap Dr n med
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Degenerated isoparametric finite elements in nonlinear analysis of 2D-problems
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Dynamics of flexible multibody systems : Rigid finite element method.
PublicationW książce przedstawiono zagadnienie przekształceń jednorodnych, z punktu widzenia opisu dynamiki układów wielomasowych, złożonych z brył sztywnych. Omówiono metodę sztywnych elementów skończonych, w której model składa się z brył sztywnych połączonych elementami sprężystymi i tłumiącymi, a także jej wersję zmodyfikowaną. W modelu uwzględnia się duże przemieszczenia brył. Przedstawiono obliczenia dla belki wspornikowej oraz omówiono...
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Numerical analysis of the finite amplitude plane wave propagation problem
PublicationRozważano zagadnienie propagacji fali płaskiej o skończonej amplitudzie w środowisku wodnym. Przedstawiono model matematyczny i przykładowe wyniki obliczeń numerycznych. Model matematyczny zbudowano w oparciu o równanie akustyki nieliniowej. Do rozwiązania zagadnienia zastosowano metodę różnic skończonych. Badano wpływ wartości parametrów numerycznych na dokładność obliczeń oraz analizowano wpływ wartości parametrów fizycznych...
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adaptive finite-element multigrid method in 3d magnetostatic analysis.
PublicationPrzedstawiono procedurę analizy magnetostatycznej obwodów mikrofalowych zawierających przewodniki o dowolnym kształcie. Zakłada się pobudzenie pola magnetostatycznego zadane w postaci wartości całkowitego prądu płynącego w przewodniku sygnałowym. Warunki brzegowe w strukturze od dowolnym kształcie, bez płaszczyzn symetrii wprowadza się za pomocą powierzchni rozdzielających. Takie sformułowanie problemu prowadzi jednak do szeregu...
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Efficient finite difference analysis of microstructured optical fibers [on line]
PublicationW pracy przedstawiono nową technikę numerycznej analizy mikrostruktur światłowodowych. Technika ta polega na połączeniu metody różnic skończonych i dyskretnych rozwinięć funkcyjnych. Pozwala to na zmniejszenie rozmiaru macierzy powstających przy analizie problemu, a jednocześnie na bezpośrednią implementację radiacyjnych warunków brzegowych. Testy algorytmu przeprowadzono dla kilku wybranych struktur, uzyskując bardzo dobrą zgodność...
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Experiences with viscoplastic constitutive equations in finite element shell analysis
PublicationW pracy przedstawiono problemy zastosowania lekoplastycznych równań konstytutywnych w anlizie powłok metodą elementów skończonych. Pokazano historie rozwoju tego rodzaju modeli. Rozważono podstawowe założenia jakie muszą być zrobione.Omówiono doświadczenia konieczne do identyfikacji parametrów materiałowych modeli. Przedstawiono problemy jakie mogą wynikną w analizie numerycznej (problemy dokładności i stabilności algorytmów) Pracę...
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Quasi-static finite-element analysis of a skewed microstrip crossover
PublicationPrzedstawiono quasi statyczną analizę skrzyżowania mikroskopowego na podłożu dielektycznym. Mikropaski znajdują się na różnych warstwach układu planarnego i mogą krzyżować się pod dowolnym kątem. Pojemności i indukcyjności obliczane są na podstawie rozkładu potencjałów skalarnych. W sformułowaniu zagadnienia magnestatycznego warunki brzegowe dla potencjału skalarnego wprowadzono za pomocą powierzchni rozcięcia dziedziny analizy....
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Finite element description of nonlinear viscoelastic behaviour of technical fabric
PublicationW pracy podano propozycję nieliniowego modelowania zachowania się tkaniny technicznej. Podano wyniki identyfikacji i zweryfikowano poprzez numeryczną symulację prób laboratoryjnych
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Mechanical model of fascia-implant structure. Finite element simulation.
PublicationPraca dotyczy modelowania i symulacji syntetycznych implantów chirurgicznych stosowanych w leczeniu przepulin brzusznych metodą laparoskowpową. Prponowane są modele matematyczne a ich prawidłowość weryfikowana jest na podstawie badań doświadczalnych zachowania się modeli fizycznych wszczepionych implantów pod wpływem obciążeń wynikających z fizjologii człowieka. Nakreślona jest metodologia oceny trwałości połączenia siatki chirurgicznej...
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Pressure distribution for different types of the finite amplitude waves sources
PublicationPrzedstawiono model matematyczny i przykładowe wyniki badań numerycznych zjawiska oddziaływań fal o skończonej amplitudzie w wodzie. Model matematyczny zbudowano w oparciu o równanie KZK. Zagadnienie różniczkowe rozwiązano stosując metodę różnic skończonych. Rozważono różne rozkłady ciśnienia na źródle kołowym i bez osiowej symetrii.
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The potential of Web-GIS and geovisual analytics in the context of marine cadastre
PublicationThe importance of the marine environment to human existence makes it imperative that information models represent the multidimensional nature of reality as closely as possible in order to facilitate good governance. Information regarding jurisdiction, as well as the effects of formal law and community interests on the marine environment (e.g. nature and spatial extents as well as rights, responsibilities, restrictions etc.) would...
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Au nanoparticles identifiction with the use of AFM Volta potential mapping
Open Research DataThe specific physical, chemical and electrochemical electrical properties of gold nanoparticles have led to their extensive use as high-performance chemical and biochemical sensors. The described properties relate to surface plasmon resonance, fluorescence quenching or enhancement, high electrical conductivity and light scattering. The described nanoparticles...
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Peptidoglycan hydrolases - potential weapons against Staphylococcus aureus
PublicationBacteria of the genus Staphylococcus are common pathogens responsible for a broad spectrum of human and animal infections and belong to most important etiological factors causing food poisoning. Because of rapid increase in prevalence of isolation of staphylococci resistant to many antibiotics, there is an urgent need for development of new alternative chemotherapeutics. A number of studies have recently demonstrated the strong...
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Probiotic potential of Bacillus Isolates from Polish Bee Pollen and Bee Bread
PublicationThe main goal of this study was the evaluation of the probiotic potential of 10 Bacillus spp. strains isolated from 5 bee bread and 3 bee pollen samples. The antagonistic interaction with Staphylococcus aureus and Escherichia coli was a primary criterion for the preliminary selection of the isolates. Three out of ten strains—PY2.3 (isolated from pollen), BP20.15 and BB10.1 (both isolated from bee bread)—were found to be possible...
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Influence of Installation Effects on Pile Bearing Capacity in Cohesive Soils – Large Deformation Analysis Via Finite Element Method
PublicationIn this paper, the whole process of pile construction and performance during loading is modelled via large deformation finite element methods such as Coupled Eulerian Lagrangian (CEL) and Updated Lagrangian (UL). Numerical study consists of installation process, consolidation phase and following pile static load test (SLT). The Poznań site is chosen as the reference location for the numerical analysis, where series of pile SLTs...
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Parametrized Local Reduced-Order Models With Compressed Projection Basis for Fast Parameter-Dependent Finite-Element Analysis
PublicationThis paper proposes an automated parametric local model-order reduction scheme for the expedited design of microwave devices using the full-wave finite-element method (FEM). The approach proposed here results in parameterized reduced-order models (ROMs) that account for the geometry and material variation in the selected subregion of the structure. In each subregion, a parameter-dependent projection basis is generated by concatenating...
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Finite-element analysis of a base-isolated multi-storey steel building under seismic motions
PublicationNumerical simulation of the seismic behaviour of a multi-storey steel building, both fixed-base and base-isolated, under the 1940 El Centro earthquake was performed in this paper. The analyzed 4-storey building was decoupled from the shaking ground with the Polymeric Bearings, which can be considered a proposal of a new seismic isolation system. It consists of rectangular-shaped blocks made of a specially prepared flexible polymeric...