Search results for: LOCALIZED WANNIER FUNCTIONS
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Biopolymers and Their Composites for Drug Delivery: A Brief Review
PublicationIn recent years, excipient development has become a core area of research in pharmaceutical drug delivery because it influences the formulation development and drug delivery process in various ways. Polymeric drug delivery systems have been of great interest for controlled delivery as they show the great advantage in drug delivery systems because of optimized drug loading and releasing property. Then, the side effects of synthetic...
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Potential energy curves, transition and permanent dipole moments of KRb
PublicationWe present extensive calculations of 48 adiabatic potential energy curves of the KRb molecule. Efforts have been focused on preparing the appropriate basis sets. Compared to previous approaches, the set of new potential energy curves is extended to higher excitations, including the single-excited K(4s2S)+Rb(5d2D) and double-excited K(4p2P)+Rb(5p2P) atomic limits. Larger distances between nuclei are also taken into account. New...
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A Review: Applications of the Spectral Finite Element Method
PublicationThe Spectral Finite Element Technique (SFEM) has Several Applications in the Sciences, Engineering, and Mathematics, which will be Covered in this Review Article. The Spectral Finite Element Method (SFEM) is a Variant of the Traditional Finite Element Method FEM that Makes use of Higher Order Basis Functions (FEM). One of the most Fundamental Numerical Techniques Employed in the Numerical Simulation is the SFEM, which Outperforms...
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Upgrading low value-added activities in global value chains: a functional specialisation approach
PublicationThis paper aims to identify patterns of functional specialisation (FS) in global value chains (GVCs) and determinants of upgrading them for selected Central Eastern European (CEE) economies. By combing the World Input-Output Database with data on occupations, we reveal a new FS pattern among subgroups of CEEs. Poland and Slovakia have an unfavourable GVC position and specialise in low value-added fabrication function. In contrast,...
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Adaptive identification of sparse underwater acoustic channels with a mix of static and time-varying parameters
PublicationWe consider identification of sparse linear systems with a mix of static and time-varying parameters. Such systems are typical in underwater acoustics (UWA), for instance, in applications requiring identi- fication of the acoustic channel, such as UWA communications, navigation and continuous-wave sonar. The recently proposed fast local basis function (fLBF) algorithm provides high performance when identi- fying time-varying systems....
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Western Front of the City Centre of Gdańsk. An Urban Conservation Study
PublicationThe western front of Gdańsk`s city centre is the key fragment of a ring road scheme, which was created at the turn of the 20th century during the great transformation of the city. It was at that time that new streets and squares were delineated on the site of the early modern earthen bastions, which for more than three centuries marked Gdańsk`s border. The new city development was set up in their surroundings. In 1945, Gdańsk was...
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Experimental and theoretical study on high-temperature creep of VT6 titanium alloy under multi-axial loading conditions
PublicationIn the framework of damage mechanics, we discuss a new mathematical model that describes the kinetics of the stress–strain state and damage accumulation during material degradation by the mechanism of long-term strength under complex multiaxial stress state. An experimental and theoretical technique is proposed for determination of material parameters and scalar constitutive functions for damaged media based on specially set experiments...
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Propagation of initially sawtooth periodic and impulsive signals in a quasi-isentropic magnetic gas
PublicationThe characteristics of propagation of sawtooth periodic and impulsive signals at a transducer are analytically studied in this work. A plasma under consideration is motionless and uniform at equilibrium, and its perturbations are described by a system of ideal magnetohydrodynamic equations. Some generic heating/cooling function, which in turn depends on equilibrium thermodynamic parameters, may destroy adiabaticity of a flow and...
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Carbon Dioxide and Water Vapour Fluxes of a Alkaline Fen and Their Dependence on Reflectance
PublicationThis study shows results of parallel measurements of greenhouse gases fluxes (carbon dioxide and water vapour) and canopy reflectance of alkaline fen. Fluxes were measured using eddy-covariance technique on micrometeorological station located in the Upper Biebrza Basin (NE Poland) in Rogożynek Village. Study site is located in the Biebrza National Park which was established to protect one of the biggest coherent lowland wetland...
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To what extent can hyperelastic models make sense the effect of clay surface treatment on the mechanical properties of elastomeric nanocomposites?
PublicationThe poor knowledge about nonlinear mechanical behavior of elastomer nanocomposites arises from the incomplete information on the interface. Application of hyperelastic models provides more insights into the nature and the situation of interaction between the elastomeric matrix and nanofillers. The current work seeks to address the effect of interphase strength on tensile properties of the elastomer nanocomposites under large deformations....
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Energy storage device based on flywheel, power converters and Simulink real-time
PublicationThis electronic document is a “live” template and already defines the components of your paper [title, text, heads, etc.] in its style sheet. Paper presents information on Energy Storage Device based on Flywheel and bi-directional IGBT Power Converters – designed for LINTE^2 laboratory owned by Gdansk University of Technology in Poland. Paper is divided into four sections. First section of the paper provides introductory information...
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Localization and Orientation of Xanthophylls in a Lipid Bilayer
PublicationXanthophylls (polar carotenoids) play diverse biological roles, among which are modulation of the physical properties of lipid membranes and protection of biomembranes against oxidative damage. Molecular mechanisms underlying these functions are intimately related to the localization and orientation of xanthophyll molecules in lipid membranes. In the present work, we address the problem of localization and orientation of two xanthophylls...
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Fragmentation of Tetrahydrofuran Molecules by H+, C+, and O+ Collisions at the Incident Energy Range of 25–1000 eV
PublicationWe have studied fragmentation processes of the gas-phase tetrahydrofuran (THF) molecules in collisions with the H+, C+, and O+ cations. The collision energies have been varied between 25 and 1000 eV and thus covered a velocity range from 10 to 440 km/s. The following excited neutral fragments of THF have been observed: the atomic hydrogen H(n), n = 4–9, carbon atoms in the 2p3s 1P1, 2p4p 1D2, and 2p4p 3P states and vibrationally...
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On the Origin of Protein Superfamilies and Superfolds
PublicationDistributions of protein families and folds in genomes are highly skewed, having a small number of prevalent superfamiles/superfolds and a large number of families/folds of a small size. Why are the distributions of protein families and folds skewed? Why are there only a limited number of protein families? Here, we employ an information theoretic approach to investigate the protein sequence-structure relationship that leads to...
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Zastosowanie redundancji w siłowniach okrętowych statków oceanotechnicznych
PublicationSystemy wytwarzania energii i napędu statków oceanotechnicznych muszą mieć bardzo wysoki poziom niezawodności. Utrata zdolności do wykonywania funkcji przez ich elementy strukturalne z reguły powoduje bardzo wysokie straty ekonomiczne. Straty te mogą być zwiększone przez niemożność wykorzystania tzw. okna pogodowego, skutkującego odłożeniem w czasie zaplanowanych operacji oceanotechnicznych. W celu zapewnienia niezawodnej realizacji...
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Scholarly communication activities in the fields of chemistry and economics. A Polish perspective
PublicationThis study examines the scholarly communication activities in two scientific fields, chemistry and economics, in a Polish context. The dissertation aims at investigating what characterises the publishing choices of researchers and what supplementary forms for the dissemination of research output are used by scholars. In addition, the paper is looking into what are the views and awareness of open access and institutional repositories...
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Modeling two phase flow in large scale fractured porous media with an extended multiple interacting continua method
PublicationWe present a two phase flow conceptual model, the corresponding simulator (2pMINC) and a workflow for large-scale fractured reservoirs, based on a continuum fracture approach which uses the multiple interacting continua (MINC) method complemented with an improved upscaling technique. The complex transient behavior of the flow processes in fractured porous media is captured by subgridding the coarse blocks in nested volume elements...
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A novel architecture for e-learning knowledge assessment systems
PublicationIn this paper we propose a novel e-learning system, dedicated strictly to knowledge assessment tasks. In its functioning it utilizes web-based technologies, but its design differs radically from currently popular e-learning solutions which rely mostly on thin-client architecture. Our research proved that such architecture, while well suited for didactic content distribution systems is ill-suited for knowledge assessment products....
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A novel architecture for e-learning knowledge assessment systems
PublicationAbstract. In this paper we propose a novel e-learning system, dedicated strictly to knowledge assessment tasks. In its functioning it utilizes web-based technologies, but its design differs radically from currently popular e-learning solutions which rely mostly on thin-client architecture. Our research proved that such architecture,while well suited for didactic content distribution systems is ill-suited for knowledge assessment...
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A novel architecture for e-learning knowledge assessment systems
PublicationIn this paper we propose a novel e-learning system, dedicated strictly to knowledge assessment tasks. In its functioning it utilizes web-based technologies, but its design differs radically from currently popular e-learning solutions which rely mostly on thin-client architecture. Our research proved that such architecture, while well suited for didactic content distribution systems is ill-suited for knowledge assessment products....
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Zero-pole approach to computer aided design of in-line siw filters with transmission zeros
PublicationThis paper presents a design of a new type of in-line pseudo-elliptic filters implemented in substrate integrated waveguide(SIW) technology. To realize transmission zeros in in-line topology,frequency-dependent couplings were used. Such dispersive couplingswere implemented as shorted stubs. The design process startswith the generation of a suitable starting point. To this end, anapproximation of SIW as a rectangular waveguide is...
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Analysis of the impact of AOP on source code quality: Paradox of aspect-oriented separation of concerns
PublicationAlmost four decades ago, Parnas advocated modularity for the sake of changeability, independent development, and comprehensibility. The recipe for modularization is to define a clean interface, hide an implementation detail, keep low coupling and high cohesion. Although modules have taken many forms over the years from functions and procedures to classes, no form has been capable of expressing so-called crosscutting concerns in...
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The process of fuzzy model development for the case of polish internet mortgage market
PublicationThe aim of the paper is to present the conceptual description of fuzzy model representing the Polish Internet mortgage market. The first part of the paper consists of assessment and verification of model variables which are important for the Polish Internet Mortgage Market. This process begins with the initial set of variables which was used previously for the rule based model of the same market. As numerous aspects of the market...
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Acceleration of Electromagnetic Simulations on Reconfigurable FPGA Card
PublicationIn this contribution, the hardware acceleration of electromagnetic simulations on the reconfigurable field-programmable-gate-array (FPGA) card is presented. In the developed implementation of scientific computations, the matrix-assembly phase of the method of moments (MoM) is accelerated on the Xilinx Alveo U200 card. The computational method involves discretization of the frequency-domain mixed potential integral equation using...
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A highly-efficient technique for evaluating bond-orientational order parameters
PublicationWe propose a novel, highly-efficient approach for the evaluation of bond-orientational order parameters (BOPs). Our approach exploits the properties of spherical harmonics and Wigner 3jj-symbols to reduce the number of terms in the expressions for BOPs, and employs simultaneous interpolation of normalised associated Legendre polynomials and trigonometric functions to dramatically reduce the total number of arithmetic operations....
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Molecular modeling and evaluation of novel dibenzopyrrole derivatives as telomerase inhibitors and potential drug for cancer therapy
PublicationDuring previous years, many studies on synthesis, as well as on anti-tumor, anti-inflammatory and anti-bacterial activities of the pyrazole derivatives have been described. Certain pyrazole derivatives exhibit important pharmacological activities and have proved to be useful template in drug research. Considering importance of pyrazole template, in current work the series of novel inhibitors were designed by replacing central...
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An Application Supporting Gastroesophageal Multichannel Intraluminal Impedance-pH Analysis
PublicationDue to a significant rise in the number of patients diagnosed with diseases of the upper gastrointestinal tract and the high cost of treatment, there is a need to further research on one of the most popular diagnostic tests used in this case – esophageal Multichannel Intraluminal Impedance and pH measurement. This may lead to finding new diagnostically relevant information, used to quicken and improve the diagnostic procedure....
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Time Delay Estimation in Two-Phase Flow Investigation Using the γ-Ray Attenuation Technique.
PublicationTime delay estimation is an important research question having many applications in a range of technologies. Measurement of a two-phase flow in a pipeline or an open channel using radioisotopes is an example of such application. For instance, the determination of velocity of dispersed phase in that case is based on estimation of the time delay between two stochastic signals provided by scintillation probes. The proper analysis...
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Estimation of DC motor parameters using a simple CMOS camera
PublicationDifferent components of control systems for mobile robots are based on dynamic models. In low-cost solutions such a robot is wheeled and equipped with DC motors, which have to be included in the model of the robot. The model is fairly simple but determination of its parameters needs not to be easy. For instance, DC motor parameters are typically identified indirectly using suitable measurements, concerning engine voltage, current,...
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Protection of historical heritage as part of the development of cultural tourism – a case study of the community of Kamieniec Ząbkowicki in Lower Silesia
PublicationBoth literature and economics show a changing approach to historical heritage. It is no longer seen as a resource that generates only high maintenance costs. Analyses of local government units (LGUs) show that historical heritage is a strength rather than a weakness. More and more often, it is considered in economic development strategies as an asset that creates new activities and functions, generates income, and creates jobs....
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Customer Engagement Consequences for Firms
PublicationPurpose: Customer engagement (CE) is a customers’ voluntary resource contribution to firms’ functions, and it goes beyond transactions during customers’ behavioral manifestations toward the brand or firm’s offerings or activities. The effective CE management requires to understand the potential CE effects, and leverage the potential benefit and threat of CE, however negative consequences or risks of CE have remained unexplored...
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The impact of security aspects on functional safety analysis = Wpływ aspectów ochrony informacji na wyniki analiz bezpieczeństwa funkcjonalnego
PublicationIt can be said that a distributed control and protection system’s security level may have a significant impact on functional safety analyses and their results. However the issue of integrating those both aspects are difficult and usually is neglected during functional safety analyses. Known methods of functional safety analyses don’t take into consideration this kind of concept also. This paper discusses an attempt to integrate...
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Forecasting of railway track tamping based on settlement of sleepers using fuzzy logic
PublicationThe sleepers in a railway track transfer vertical, transverse and longitudinal loads to the track ballast and subgrade. The sleepers allow for keeping the distance between the rails constant. The thickness of ballast should be between 16 and 35 cm depending on the design standard of the track, and it should be densified where the ballast supports the sleeper. The exploitation causes contamination of the ballast, crushing the material...
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A Highly Scalable, Modular Architecture for Computer Aided Assessment e-Learning Systems
PublicationIn this chapter, the authors propose a novel e-learning system, dedicated strictly to knowledge assessment tasks. In its functioning it utilizes web-based technologies, but its design differs radically from currently popular e-learning solutions which rely mostly on thin-client architecture. The authors' research proved that such architecture, while well suited for didactic content distribution systems is ill-suited for knowledge...
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Loosely-Tied Distributed Architecture for Highly Scalable E-Learning System
PublicationVast majority of modern e-learning products are based on client-server architecture and utilization of web-based technologies (WBT). Such approach permits easy creation of e-learning systems that do not require a complex, operating system dependant client software. Unfortunately there are also drawbacks of such solution. Because of the majority of mechanisms are located on the server, its usage levels trend to build up quickly...
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An isogeometric finite element formulation for boundary and shell viscoelasticity based on a multiplicative surface deformation split
PublicationThis work presents a numerical formulation to model isotropic viscoelastic material behavior for membranes and thin shells. The surface and the shell theory are formulated within a curvilinear coordinate system,which allows the representation of general surfaces and deformations. The kinematics follow from Kirchhoff–Love theory and the discretization makes use of isogeometric shape functions. A multiplicative split of the surface...
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Thermomagnetic behavior of a semiconductor material heated by pulsed excitation based on the fourth-order MGT photothermal model
PublicationThis article proposes a photothermal model to reveal the thermo-magneto-mechanical properties of semiconductor materials, including coupled diffusion equations for thermal conductivity, elasticity, and excess carrier density. The proposed model is developed to account for the optical heating that occurs through the semiconductor medium. The Moore–Gibson–Thompson (MGT) equation of the fourth-order serves as the theoretical framework...
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Experience-Based Product Inspection Planning for Industry 4.0
PublicationIn this paper we describe how our Smart Virtual Product Development (SVPD) system can be used to enhance product inspection planning. The SVPD system is comprised of three main modules, these being the design knowledge management (DKM) module, the manufacturing capability and process planning (MCAPP) module, and the product inspection planning (PIP) module. Experiential knowledge relating to formal decisional events is collected,...
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A model of damaged media used for describing the process of non-stationary creep and long-term strength of polycrystalline structural alloys
PublicationThe main laws of the processes of creep and long-term strength of polycrystalline structural alloys are considered. From the viewpoint of continuum damaged media (CDM), a mathematical model is developed that describes the processes of viscoplastic deformation and damage accumulation under creep. The problem of determining material parameters and scalar functions of the developed constitutive relations based on the results of specially...
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A general isogeometric finite element formulation for rotation‐free shells with in‐plane bending of embedded fibers
PublicationThis article presents a general, nonlinear isogeometric finite element formulation for rotation-free shells with embedded fibers that captures anisotropy in stretching, shearing, twisting, and bending - both in-plane and out-of-plane. These capabilities allow for the simulation of large sheets of heterogeneous and fibrous materials either with or without matrix, such as textiles, composites, and pantographic structures. The work...
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On the Use of Selected 4th Generation Nuclear Reactors in Marine Power Plants
PublicationThis article provides a review of the possibility of using different types of reactors to power ships. The analyses were carried out for three different large vessels: a container ship, a liquid gas carrier and a bulk carrier. A novelty of this work is the analysis of the proposal to adapt marine power plants to ecological requirements in shipping by replacing the conventional propulsion system based on internal combustion engines...
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The Impact of Decommissioning Cemeteries on the Urban Ecosystem
PublicationThe decommissioning of cemeteries noticeably transforms the urban fabric. The purpose of this article was to determine what impact the decommissioning of cemeteries has on the urban ecosystem. For this purpose, it was necessary to assess the value of cemeteries within the urban ecosystem. Cemeteries are classified as urban green spaces, and their value as preservers of flora and fauna in local ecosystems has been proven. However,...
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On EM-driven size reduction of antenna structures with explicit constraint handling
PublicationSimulation-driven miniaturization of antenna components is a challenging task mainly due to the presence of expensive constraints, evaluation of which involves full-wave electromagnetic (EM) analysis. The recommended approach is implicit constraint handling using penalty functions, which, however, requires a meticulous selection of penalty coefficients, instrumental in ensuring optimization process reliability. This paper proposes...
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Theoretical studies of fragmentation processes of neutral and ionized furan molecule
PublicationThis PhD thesis focuses on the fragmentation mechanism of the furan molecule in the gas phase. The approach taken in this work comprised of three theoretical methodologies considering the dynamical, energetical and entropic aspects of the studied process. First, molecular dynamics simulations were performed. Next, the potential energy surfaces were explored at the DFT/B3LYP level of theory. Finally, a new statistical Microcanonical...
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Featuring Semitransparent p–i–n Perovskite Solar Cells for High-Efficiency Four-Terminal/Silicon Tandem Solar Cells
PublicationTwo issues need to be resolved when fabricating p–i–n semitransparent perovskite solar cells (ST-PVSCs) for four-terminal (4 T) perovskite/silicon tandem solar cells: 1) damage to the underlying absorber (MAPbI3), electron transporting layer ([6,6]-phenyl-C61-butyric acid methyl ester, PCBM), and work function (WF) modifier (polyethylenimine, PEI), resulting from the harsh sputtering conditions for the transparent electrodes (TEs)...
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Characterization of GM3 Gangliosides in Human Milk throughout Lactation: Insights from the Analysis with the Use of Reversed-Phase Liquid Chromatography Coupled to Quadrupole Time-Of-Flight Mass Spectrometry
PublicationGangliosides are complex lipids found in human milk that play important structural and biological functions. In this study, we utilized reversed-phase liquid chromatography coupled to quadrupole time-of-flight mass spectrometry to evaluate the molecular distribution of GM3 in human milk samples collected at distinct lactation stages, ranging from colostrum to advanced lactation samples. Throughout lactation, GM3 d40:1 emerged as...
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Experience based decisional DNA to support smart product design
PublicationThis paper presents the idea of Smart Virtual Product Development (SVPD) system to support product design. The foundations of the system are based upon smart knowledge management techniques called Set of Experience Knowledge Structure (SOEKS) and Decisional DNA (DDNA). It enhances the industrial product development process by using the previous experiential knowledge gathered from the formal decisional activities. This experiential...
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NUMERICAL ANALYSIS OF SPECIES DIFFUSION AND METHANOL DECOMPOSITION IN THERMOCATALYTIC REACTOR BASED ON THE INTERMETALLIC PHASE OF Ni3Al FOR LOW REYNOLDS NUMBERS
PublicationNumerical modelling of hydrogen production by means of methanol decomposition in a thermocatalytic reactor using corrugated foil made of the Ni3Al intermetallic phase is shown in the paper. Experimental results of the flow analysis of mixtures containing helium and methanol in a thermocatalytic reactor with microchannels were used for the initial calibration of the CFD calculations (calculations based on the Computational Fluid...
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Effective Permeability of Multi Air Gap Ferrite Core 3-Phase Medium Frequency Transformer in Isolated DC-DC Converters
PublicationThe magnetizing inductance of the medium frequency transformer (MFT) impacts the performance of the isolated dc-dc power converters. The ferrite material is considered for high power transformers but it requires an assembly of type “I” cores resulting in a multi air gap structure of the magnetic core. The authors claim that the multiple air gaps are randomly distributed and that the average air gap length is unpredictable at the...
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Biomechanical properties of 3D-printed bone models
PublicationBone lesions resulting from large traumas or cancer resections can be successfully treated by directly using synthetic materials or in combination with tissue engineering methods (hybrid). Synthetic or hybrid materials combined with bone tissue’s natural ability for regeneration and biological adaptation to the directions of loading, allow for full recovery of its biological functions. Increasing interest in new production methods...