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Coarse-grained simulation - an efficient approach for studying motions of large proteins
PublicationOne of the most important challenges in performing Molecular Dynamics (MD) simulations of large protein complexes is to accommodate the model accuracy and the simulation timescale. Hitherto, for the most relevant dynamics of protein aggregates in an explicit aqueous environment, the timescale reachable for the all-atoms simulations is of hundreds of nanoseconds. This range is four to six orders of magnitude smaller than processes...
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Experimental investigation and process parameter optimization of sheet metal bending by line heating method
PublicationThe present study is concerned with the experimental investigation of sheet metal deforming by line heating method that incorporates the combined effect of traverse speed of the torch, thickness of the sheet metal, and the number of passes of the torch. For the numerical analysis of metal bending by line heating, the
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Bounds on the Cover Time of Parallel Rotor Walks
PublicationThe rotor-router mechanism was introduced as a deterministic alternative to the random walk in undirected graphs. In this model, a set of k identical walkers is deployed in parallel, starting from a chosen subset of nodes, and moving around the graph in synchronous steps. During the process, each node maintains a cyclic ordering of its outgoing arcs, and successively propagates walkers which visit it along its outgoing arcs in...
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Point cloud unification with optimization algorithm
PublicationTerrestrial laser scanning is a technology that enables to obtain three-dimensional data – an accurate representation of reality. During scanning not only desired objects are measured, but also a lot of additional elements. Therefore, unnecessary data is being removed, what has an impact on efficiency of point cloud processing. It can happen while single point clouds are displayed – user decides what he wants...
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Linear game non-contextuality and Bell inequalities—a graph-theoretic approach
PublicationWe study the classical and quantum values of a class of one-and two-party unique games, that generalizes the well-known XOR games to the case of non-binary outcomes. In the bipartite case the generalized XOR(XOR-d) games we study are a subclass of the well-known linear games. We introduce a 'constraint graph' associated to such a game, with the constraints defining the game represented by an edge-coloring of the graph. We use the...
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Role of the Solvation Water in Remote Interactions of Hyperactive Antifreeze Proteins with the Surface of Ice
PublicationMost protein molecules do not adsorb onto ice, one of the exceptions being so-called antifreeze proteins. In this paper, we describe that there is a force pushing an antifreeze protein molecule away from the ice surface when it is not oriented with its ice-binding plane toward the ice and that this pushing force may be also present even when the protein is oriented with its ice-binding plane toward the ice. This force is absent...
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The dispersive micro-solid phase extraction method for MS-based lipidomics of human breast milk*
PublicationA simple and rapid microextraction method ensuring high lipidome coverage was developed for liquid chromatography mass spectrometry (LC-MS)-based lipidomics of human breast milk. The dispersive microsolid phase extraction (D-µ-SPE) technique, coupled with the design of experiment (DoE) method, enabled the study of the influence of several conditions (desorption solvent, stationary phase ratio, and sorption and desorption time)...
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Surface modification of PMMA polymer and its composites with PC61BM fullerene derivative using an atmospheric pressure microwave argon plasma sheet
PublicationThis paper presents the results of experimental investigations of the plasma surface modification of a poly(methyl methacrylate) (PMMA) polymer and PMMA composites with a [6,6]-phenyl-C61-butyric acid methyl ester fullerene derivative (PC61BM). An atmospheric pressure microwave (2.45 GHz) argon plasma sheet was used. The experimental parameters were: an argon (Ar) flow rate (up to 20 NL/min), microwave power (up to 530 W), number...
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Novel staphylococci nucH taxonomical marker used in identification of human-associated Staphylococcus succinus subsp. casei
PublicationThe aim of our study was to assess the sequencing of unique nucH gene fragment based on performed bioinformatics analysis as a novel diagnostic method for the identification of difficult to identify staphylococcal human pathogenic strains. Initially, PCR-RFLP-rrn analysis specific to the spacers between 16SrDNA and 23SrDNA followed by HhaI restriction analysis was performed. Further, sequencing of nucH and 16S rDNA genes fragments...
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Microbial and chemical quality assessment of the small rivers entering the South Baltic. Part I: Case study on the watercourses in the Baltic Sea catchment area
PublicationThe area of the Coastal Landscape Park (CLP) due to its location is extremely attractive touristic area. In the summer season, a significant increase in population density is observed, which influences surface water quality. Large numbers of tourists generate an increased amount of municipal wastewater, being treated in local treatment plants and discharged into rivers and streams. The paper presents preliminary research from summer...
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Distributed Architectures for Intensive Urban Computing: A Case Study on Smart Lighting for Sustainable Cities
PublicationNew information and communication technologies have contributed to the development of the smart city concept. On a physical level, this paradigm is characterised by deploying a substantial number of different devices that can sense their surroundings and generate a large amount of data. The most typical case is image and video acquisition sensors. Recently, these types of sensors are found in abundance in urban spaces and are responsible...
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Degree of monopoly and market power vs. price flexibility in Polish economy: empirical analysis based on COICOP classification
PublicationResearch background: The issue of price flexibility is crucial in the economy both in the aspect of company theory and its macroeconomic consequences. In a number of publications, the sources of variable price flexibility are linked to the market power of enterprises as well as the market structure that has developed in a given branch. It is difficult to indicate empirical studies that would state clearly whether price flexibility...
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Reduced-Cost Design Optimization of High-Frequency Structures Using Adaptive Jacobian Updates
PublicationElectromagnetic (EM) analysis is the primary tool utilized in the design of high-frequency structures. In vast majority of cases, simpler models (e.g., equivalent networks or analytical ones) are either not available or lack accuracy: they can only be used to yield initial designs that need to be further tuned. Consequently, EM-driven adjustment of geometry and/or material parameters of microwave and antenna components is a necessary...
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Investigating trip and parking characteristics of hospitals: A case study from Tri-City, Poland
PublicationThis research aims to investigate public hospitals’ trip and parking characteristics based on the study conducted in Poland in September 2021 on the example of the Tri-City agglomeration. The main objective of the research was to build models of the relationship between the number of trips during peak transport hours and the number of beds. The second research element was the analysis of transport behavior in these areas. The research...
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Computational analysis of power-law fluids for convective heat transfer in permeable enclosures using Darcy effects
PublicationNatural convection is a complex environmental phenomenon that typically occurs in engineering settings in porous structures. Shear thinning or shear thickening fuids are characteristics of power-law fuids, which are non-Newtonian in nature and fnd wide-ranging uses in various industrial processes. Non-Newtonian fuid fow in porous media is a difcult problem with important consequences for energy systems and heat transfer. In this...
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Field Evaluation of High Modulus Asphalt Concrete Resistance to Low-Temperature Cracking
PublicationHigh-modulus asphalt concrete has numerous advantages in comparison to conventional asphalt concrete, including increased resistance to permanent deformations and increased pavement fatigue life. However, previous studies have shown that the construction of road pavements with High Modulus Asphalt Concrete (HMAC) may significantly increase the risk of low-temperature cracking. Those observations were the motivation for the research...
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Steady magnetohydrodynamic flow in a diverging channel with suction or blowing
PublicationAn analysis is made of steady two-dimensional divergent flow of an electrically conducting incompressible viscous fluid in a channel formed by two non-parallel walls, the flow being caused by a source of fluid volume at the intersection of the walls. The fluid is permeated by a magnetic field produced by an electric current along the line of intersection of the channel walls. The walls are porous and subjected to either suction...
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Load introduction to composite columns revisited—Significance of force allocation and shear connection stiffness
PublicationThe AISC 360-16 Specification recommends that the design shear force between parts of a composite column in the load introduction area shall be calculated based on the force allocation at ultimate limit state. Applicability of this straightforward method to the load levels that usually arise in slender composite columns is questionable, as this capacity-based force allocation is only true when the axial force is equal to the plastic...
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Meso‐scale analyses of size effect in brittle materials using DEM
PublicationThe paper describes numerical meso-scale results of a size effect on strength, brittleness and fracture in brittle materials like concrete. The discrete element method (DEM) was used to simulate the size effect during quasi-static splitting tension with the experimental-based meso-structure. The two-dimensional (2D) calculations were carried out on concrete cylindrical specimens with two diameters wherein two different failure...
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Study of the atomic structure and morphology of the Pt3Co nanocatalyst
PublicationThe local structure and chemical disorder of a commercially available Pt3Co nanocatalyst supported on high surface area carbon were investigated. High-quality XAFS spectra were collected at the ELETTRA synchrotron XAFS 11.1 beamline. XAFS spectra analysis have been performed accounting for the reduction of the coordination number and degeneracy of three-body configurations, resulting from transmission electron microscopy (TEM)...
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On ''cheap smoothing'' opportunities in identification of time-varying systems
PublicationIn certain applications of nonstationary system identification the model-based decisions can be postponed, i.e. executed with a delay. This allows one to incorporate into the identification process not only the currently available information, but also a number of ''future'' data points. The resulting estimation schemes, which involve smoothing, are not causal. Despite the possible performance improvements, the existing smoothing...
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Social responsibility of universities - the example of AGH University of Science and Technology
PublicationThe key question here is how to achieve a symbiotic relationship between the university and its environment. The evolution of the Polish higher education system since 1990 shows how the mutual relations between the university and its surroundings may change over time. The conclusions published in the OECD report on higher education are juxtaposed with the description of the status quo of the Polish universities and compared with...
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Lead(II)-selective ionophores for ion-selective electrodes: A review
PublicationIn potentiometry, high selectivity of the ion-selective membranes must be assured in order to reliably measure various analytes in clinical, industrial and environmental samples. Due to the toxic nature of lead(II) it is important to monitor Pb2+ distribution in natural waters. This may be achieved by implementation of ion-selective electrodes (ISEs) with high selectivity towards lead(II) and low detection limit. A great number...
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Stability of softly switched multiregional dynamic output controllers with a static antiwindup filter: A discrete-time case
PublicationThis paper addresses the problem of model-based global stability analysis of discrete-time Takagi–Sugeno multiregional dynamic output controllers with static antiwindup filters. The presented analyses are reduced to the problem of a feasibility study of the Linear Matrix Inequalities (LMIs), derived based on Lyapunov stability theory. Two sets of LMIs are considered candidate derived from the classical common quadratic Lyapunov...
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Relationship between semi- and fully-device-independent protocols
PublicationWe study the relation between semi and fully device independent protocols. As a tool, we use the correspondence between Bell inequalities and dimension witnesses. We present a method for converting the former into the latter and vice versa. This relation provides us with interesting results for both scenarios. First, we find new random number generation protocols with higher bit rates for both the semi and fully device independent...
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FIReWORK: FIR Filters Hardware Structures Auto-Generator
PublicationThe paper presents application called FIReWORK, that allows for automatic creation of the VHDL hardware structures of FIR filters. Automat- ically generated specialized hardware solutions dedicated to the FPGA and ASIC are commonly known as Intellectual Property Cores. The essential fu- ture of the application is easy initialization of FIR filter parameters in GUI, and then automatically design, calculate and generate the IP Core...
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Safety-based approach in multifunctional building design
PublicationABSTRACT: The modern trend in design of the public buildings is to create multifunctional environments in one building, hosting a variety of functions. Multifunctional buildings entertain large number of visitors. The complexity and vulnerability of this type of public space are the main reasons to use within their design process the performance based approach including the recognition of hazards. Safety and reliability approach...
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Limiting distribution of Lempel Ziv'78 redundancy
PublicationWe show that the Lempel Ziv'78 redundancy rate tends to a Gaussian distribution for memoryless sources. We accomplish it by extending findings from our 1995 paper [3]. We present a new simplified proof of the Central Limit Theorem for the number of phrases in the LZ'78 algorithm. As in our 1995 paper, here we first analyze the asymptotic behavior of the total path length in a digital search tree (a DST) built from independent sequences....
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On the Limiting distribution of Lempel Ziv'78 Redundancy for Memoryles Sources
PublicationWe show that the Lempel Ziv'78 redundancy rate tends to a Gaussian distribution for memoryless sources. We accomplish it by extending findings from our 1995 paper [3]. We present a new simplified proof of the Central Limit Theorem for the number of phrases in the LZ'78 algorithm. As in our 1995 paper, here we first analyze the asymptotic behavior of the total path length in a digital search tree (a DST) built from independent sequences....
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Trawl-Door Shape Optimization with 3D CFD Models and Local Surrogates
PublicationDesign and optimization of trawl-doors are key factors in minimizing the fuel consumption of fishing vessels. This paper discusses optimization of the trawl-door shapes using high-fidelity 3D computational fluid dynamic (CFD) models. The accurate 3D CFD models are computationally expensive and, therefore, the direct use of traditional optimization algorithms, which often require a large number of evaluations, may be prohibitive....
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Improving Effectiveness of SVM Classifier for Large Scale Data
PublicationThe paper presents our approach to SVM implementation in parallel environment. We describe how classification learning and prediction phases were pararellised. We also propose a method for limiting the number of necessary computations during classifier construction. Our method, named one-vs-near, is an extension of typical one-vs-all approach that is used for binary classifiers to work with multiclass problems. We perform experiments...
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Entrepreneurial Education and Attitude among Young Generations in a Gender perspective: the Case of Polish Education System
PublicationThis article is an attempt to analyze the impact of entrepreneurship education on entrepreneurial attitudes and intentions of young people: male and female students of Polish high schools and universities. The author makes an effort to verify the impact of the exposure to the business education and entrepreneurs on the decision to start-up. Special emphasis will be placed on the gender differences when discussing a respective factors’...
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Entrepreneurial education and attitudes among young generations in a gender perspective: the case of Polish educational system
PublicationThis paper is an attempt to analyze the impact of entrepreneurship education on entrepreneurial attitudes and intentions of young people: male and female students of Polish high schools and universities. The author makes an effort to verify the impact of the exposure to the business education and entrepreneurs on the decision to start-up. Special emphasis will be placed on the gender differences when discussing a respective factors’...
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The response of three colliding models of steel towers to seismic excitation
PublicationA number of past and recent observations have confirmed that collisions between adjacent, insufficiently-separated structures occurring as a result of seismic excitation (structural pounding) may result in serious damage to structural elements and can even lead to their total destruction. This paper summarises the results obtained from a shaking table experimental study which investigated structural pounding between three adjacent...
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Initial Considerations
PublicationChemical processes have made use of a wide number of volatile organic solvents due to their efficiency in countless unit operations. The increasing knowledge on the environmental, health, and safety hazards associated to their use has significantly contributed to the search for greener alternatives. The primary purpose of this book is to provide an overview of alternative solvents with reduced issues that have successfully replaced...
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The Concept of a Methodology for Selecting the Optimal Parameters of Heat Received from a Nuclear Power Plant Operating in a Partial Cogeneration Mode
PublicationThe paper presents the concept of the objective function which is to allow the selection of optimal parameters of the district heating system using a nuclear power plant operating in partial cogeneration mode. The concept is based on research carried out a number of years ago. The size of annual expenses was proposed as the objective function, which allows to compare the operation of a nuclear power plant in partial cogeneration...
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Preparation and some properties of multiblock copoly(amide-b-amide)s
PublicationThe paper concerns the polymers built of oligoamide hard blocks and oligoamide soft blocks (KPAA, formula I). Oligo(laurolactam) (PA12) was used as hard block and the product of reaction of dimerized fatty acid and hexamethylene diamine (PA6,36) was used as a soft one. Effects of molar ratio of these blocks on the following properties of KPAA have been investigated: limiting viscosity number ([2]), degrees of swelling in water...
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Voltage Transients Transfer over Medium Voltage Instrument Transformers
PublicationThis paper presents voltage harmonic transfer accuracy problems through voltage transformers which are used in power quality monitoring systems in medium and high voltage grids. A simplified lumped parameters circuit model of the voltage transformer is proposed and verified by simulation and experimental investigations. A number voltage transformers typically used in medium voltage grid has been tested in the conducted disturbances...
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Real-time generator of AIS/ARPA/GPS data
PublicationThe paper presents a real-time generator of AIS/ARPA/GPS position data in the standardized NMEA 0183 text format. Position data are produced by a set of various types of ships simulated on the Polish part of the Baltic Sea and are generated on defined IP/UDP addresses and RS-232 ports. In the simulation an extensive set of input parameters is taken into account including the number of particular types of ships, their dimensions,...
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Bacterial nanocellulose as a microbiological derived nanomaterial
PublicationBacterial nanocellulose (BNC) is a nanofibrilar polymer produced by strains such as Gluconacetobacter xylinus, one of the best bacterial species which given the highest efficiency in cellulose production. Bacterial cellulose is a biomaterial having unique properties such as: chemical purity, good mechanical strength, high flexibility, high absorbency, possibility of forming any shape and size and many others. Such a large number...
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A role of the heat and work uncompensatedtransformations in the balance of entropy and theturbomachinery efficiency
PublicationIn the paper we have presented a procedure of estimating a role of the uncompensated transformation of heat and work in ow of viscous and heat conducting uid. The procedure was introduced by Professor Romuald Puzyrewski and is essential in local, in time and space, balance of entropy. Furthermore this unique approach leads to redenition the eciency of uid-ow machinery in three-dimensional modeling using CFD (Computational Fluid...
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The dimensions of national competitiveness: the empirical analysis based on The World Economic Forum’s data
PublicationThe aim of this research is to determine the minimum number of uncorrelated dimensions which can describe national competitiveness (NC). NC is thought of as the ability of a nation to provide a conducive environment for its firms to prosper. It is shown that the environment affects national productivity catalytically through the interactions with the production factors while itself remaining unchanged. Selected World Economic...
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Dissociative electron attachment and anion-induced dimerization in pyruvic acid
PublicationWe report partial cross sections for the dissociative electron attachment to pyruvic acid. A rich fragmentation dynamics is observed. Electronic structure calculations facilitate the identification of complex rearrangement reactions that occur during the dissociation. Furthermore, a number of fragment anions produced at electron energies close to 0 eV are observed, that cannot originate from single electron-molecule collisions....
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Scheduling of identical jobs with bipartite incompatibility graphs on uniform machines. Computational experiments
PublicationWe consider the problem of scheduling unit-length jobs on three or four uniform parallel machines to minimize the schedule length or total completion time. We assume that the jobs are subject to some types of mutual exclusion constraints, modeled by a bipartite graph of a bounded degree. The edges of the graph correspond to the pairs of jobs that cannot be processed on the same machine. Although the problem is generally NP-hard,...
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Investigations of the optical activity of nonlinear crystals by means of dual-wavelength polarimeter
PublicationA dual-wavelength method in high accuracy polarimetry has been successfully tested and applied to measure optical activity (OA) of nonlinear crystals. In proposed polarimetric scheme two neighboring semiconductor laser wavelengths (635 and 650 nm) are used, which increases number of parameters measured simultaneously and improves the data processing. By neglecting dispersion of eigen wave ellipticity in crystals, more efficient...
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On the ratio between 2-domination and total outer-independent domination numbers of trees
PublicationA 2-dominating set of a graph G is a set D of vertices of G such that every vertex of V(G)D has a at least two neighbors in D. A total outer-independent dominating set of a graph G is a set D of vertices of G such that every vertex of G has a neighbor in D, and the set V(G)D is independent. The 2-domination (total outer-independent domination, respectively) number of a graph G is the minimum cardinality of a 2-dominating (total...
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Analysis of the state of preservation the historic arcaded houses in Vistula Delta listed in the National Inventory of Historical Monuments
PublicationHistoric arcaded houses are part of the material heritage of the Vistula Delta. Unfortunately, their number is decreasing year by year. The article is the result of a query of available sources and field research carried out by the author in 2015-2020. The paper presents the current state of preservation the historic arcaded houses in Vistula Delta listed in the National Inventory of Historical Monuments. Criteria for the selection...
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Fast multi-criterial statistical analysis and design optimization of compact microwave couplers
Publication—A rapid statistical analysis and yield estimation of compact microwave couplers involving multiple performance parameters has been presented. The analysis is realized using a fast surrogate model representing appropriate characteristic points of the coupler response. Because of less nonlinear dependence of the characteristic points on the structure geometry (compared to the original response, i.e., S-parameters vs. frequency),...
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Identification, Assessment and Automated Classification of Requirements Engineering Techniques
PublicationSelection of suitable techniques to be used in requirements engineering or business analysis activities is not easy, especially considering the large number of new proposals that emerged in recent years. This paper provides a summary of techniques recommended by major sources recognized by the industry. A universal attribute structure for the description of techniques is proposed and used to describe 33 techniques most frequently...
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The behavioural model of graphene field-effect transistor
PublicationThe behavioural model of a graphene field-effect transistor (GFET) is proposed. In this approach the GFET element is treated as a “black box” with only external terminals available and without considering the physical phenomena directly. The presented circuit model was constructed to reflect steady-states characteristics taking also into account GFET capacitances. The authors’ model is defined by a relatively small number of equations...