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Search results for: density functional theory
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Box-spline histograms for multivariate density estimation
PublicationW pracy podano ujednoliconą konstrukcję estymatora pochodnych gęstości oraz stałych asymptotycznych dla tej gęstości. Posłużono się histogramami box-splinowymi. Skorzystano z twierdzeń asymptotycznych dla operatorów związanych z tymi estymatorami.
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Towards Increasing Density of Relations in Category Graphs
PublicationIn the chapter we propose methods for identifying new associations between Wikipedia categories. The first method is based on Bag-of-Words (BOW) representation of Wikipedia articles. Using similarity of the articles belonging to different categories allows to calculate the information about categories similarity. The second method is based on average scores given to categories while categorizing documents by our dedicated score-based...
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Monoterpenes emissions from different samples of wood-based materials – laminated chipboards and medium-density fiberboards (MDF)
PublicationThe paper presents the results of studies on emission rates of monoterpenes, carried out with the use of a new type of device - Markes’ Micro-Chamber/Thermal Extractor™ (μ-CTE250). Subject of studies were different types of wood-based materials such as: laminated chipboards and medium-density fiberboards (MDF). Based on the results obtained one can conclude that the laminated chipboards may affect the indoor air quality in much...
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Layer-by-layer polymer deposited fabrics with superior flame retardancy and electrical conductivity
PublicationSmart and multifunctional textiles and fabrics are progressively developing, such that multifunctional fabrics are becoming more widespread. We elaborated herein multi-layered flax fabrics with superior flame retardancy and conductivity, which revealed fireproof feature while keeping conductivity during burning. The flax fabric was reinforced by layer-by-layer (LbL) deposition of sodium polyacrylate (SPA), polyethylenimine (PEI),...
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Intercultural interactions at multinational corporations' workplace: Grounded theory.
Publicationenvironments is a new challenge for employees and managers. The aim of the paper is to analyze the social interactions in multicultural environments of multinational corporations (MNCs) as well as to propose a model of intercultural social interactions in MNCs’ specifi c context. Design/methodology/approach: The grounded theory approach was applied to create a model of intercultural interactions in MNCs. The data was obtained during...
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Steering is an essential feature of non-locality in quantum theory
PublicationA physical theory is called non-local when observers can produce instantaneous effects over distant systems. Non-local theories rely on two fundamental effects: local uncertainty relations and steering of physical states at a distance. In quantum mechanics, the former one dominates the other in a well-known class of non-local games known as XOR games. In particular, optimal quantum strategies for XOR games are completely determined...
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Progressive failure analysis of laminates in the framework of 6-field nonlinear shell theory
PublicationThe paper presents the model of progressive failure analysis of laminates incorporated into the 6-field non-linear shell theory with non-symmetrical strain measures of Cosserat type. Such a theory is specially recommended in the analysis of shells with intersections due to its specific kinematics including the so-called drilling rotation. As a consequence of asymmetry of strain measures, modified laminates failure criteria must...
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Detailed investigation of the phase transition inKxP4W8O32and experimental arguments for a charge density wave due to hidden nesting
PublicationDetailed structural and magnetotransport properties of monophosphate tungsten bronze Kx(PO2)4(WO3)8 single crystals are reported. Both galvanomagnetic and thermal properties are shown to be consistent with a charge density wave electronic transition due to hidden nesting of the quasi-1D portion of the Fermi surface. We also observe the enhancement of electronic anisotropy due to reconstruction of the Fermi surface at the Peierls...
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Determining required safety integrity level
PublicationOne of the most important stage of technical system functional safety analysis is defining the safety-related functions as well as determining safety integrity level (SIL) for each defined function. A properly carried out hazard identyfication process is the necessary condition for correct definition of the safety-related functions. Determining the safety integrity level (SIL) is based on risk assessment taking into account risk...
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Capillary Electrophoresis in Determination of Low Molecular Mass Organic Acids
PublicationThis paper presents overviews the capabilities of capillary electrophoretic techniques to determine low molecular mass organic acids in a variety of aqueous, gas and solid samples. It mainly focuses on short - chain carboxylic acids containing one or more carboxylic groups and possibly some other functional groups (hydroxyl, keto-, amino- etc.). Finally the procedures applied to the determine the acids in different matrices are...
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Database for integration of information in distributed data exchange system elements of Border Guard
PublicationThe paper presents the database solution for integration of information in distributed data exchange system elements of the Polish Border Guard. The proposed database solution is described in the context of data exchange system elements which control position and store identification data of vessels (fishing, sports and sailing boats) and other suspicious objects on the territorial sea, sea-coast and the internal sea-waters controlled...
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Solvent-Free Synthesis of Phosphonic Graphene Derivative and Its Application in Mercury Ions Adsorption
PublicationFunctionalized graphene was efficiently prepared through ball-milling of graphite in the presence of dry ice. In this way, oxygen functional groups were introduced into material. The material was further chemically functionalized to produce graphene derivative with phosphonic groups. The obtained materials were characterized by spectroscopic and microscopic methods, along with thermogravimetric analysis. The newly developed material...
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Representation of magnetic hysteresis in tape wound core using feedback Preisach model
PublicationThis paper presents a mathematical model for the hysteresis phenomenon in ferromagnetic tape wound core. The feedback scalar Preisach model of hysteresis is used to simulate magnetic behavior of the grain oriented silicon strip of ET114-27 type. Determination of B-H hysteretic curve is based on measurement of the initial magnetization curve and the main hysteresis loop. The Preisach distribution function (PDF) of ET114-27 material...
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Molecular docking studies towards development of novel Gly-Phe analogs for potential inhibition of Cathepsin C (dipeptidyl peptidase I).
PublicationCathepsin C is a cysteine protease required for activation of various pro-inflammatory serine proteases and, essentially, is of interest as a therapeutic target. Cathepsin C coordinate system was employed as a model to study the interaction of some already available inhibitors of Cathepsin C. Compounds containing Gly-Phe fragment with functional groups at its ends were designed by knowledge based approach. Using AutoDock and...
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Application of gas chromatography to the analysis of spirit-based alcoholic beverages
PublicationSpirit-based beverages are alcoholic drinks, which production processes are dependent on the type and origin of raw materials. The composition of this complex matrix is difficult to analyze and scientists commonly choose a gas chromatography techniques for this reason. With a wide selection of extraction methods and detectors it is possible to provide qualitative and quantitative analysis for many chemical compounds with a various...
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Active Dynamic Thermography in Medical Diagnostics
PublicationThis is an overview of active thermal imaging methods in medical diagnostics using external thermal stimulation. In this chapter, several clinical cases diagnosed using the active dynamic thermography method, ADT, are presented. Features of this technology are discussed and main advantages underlined. Applications in skin burn diagnostics and quantitative evaluation leading to modern classification of burned patients for further...
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Implementation of IMS/NGN Transport Stratum Based on the SDN Concept
PublicationThe paper presents the development and verification of software and a testbed aiming to demonstrate the ability of two telecommunication network concepts—Next Generation Network (NGN) and Software-Defined Networking (SDN)—to cooperate. The proposed architecture includes components of the IP Multimedia Subsystem (IMS) in its service stratum and of the SDN (controller and programmable switches) in its transport stratum, providing...
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Exploring the Reactivity of Unsymmetrical Diphosphanes toward Heterocumulenes: Access to Phosphanyl and Phosphoryl Derivatives of Amides, Imines, and Iminoamides
PublicationWe present a comprehensive study on the diphosphanation of iso(thio)cyanates by unsymmetrical diphosphanes. The reactions involving unsymmetrical diphosphanes and phenyl isocyanate or phenyl thioisocyanate gave rise to phosphanyl, phosphoryl, and thiophosphoryl derivatives of amides, imines, and iminoamides. The structures of the diphosphanation products were confirmed through NMR spectroscopy, IR spectroscopy, and single-crystal...
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Application of Game Theory to Conflict Management in a Construction Contract
PublicationInterest has recently grown in the application of game theory (GT) to solve a number of diverse problems in the field of construction. The use of GT by a general contractor (GC) of construction works to indicate the best strategy leading to winning court proceedings in a situation of conflict with investor (IN), has not been investigated until now. Thus the aim of this paper is to indicate the optimal strategy from the GC viewpoint...
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ASSESSMENT OF VOLATILE ORGANIC COMPOUNDS EMISSIONS FROM RECYCLED LOW-DENSITY POLYETHYLENE STREAMS
PublicationThe recycling of plastics is currently one of the most significant industrial challenges. Due to the enormous amounts of plastic wastes generated by various industry branches, it is essential to look for the potential methods of their utilization. Nevertheless, it should not be forgotten that recycled plastics are not pure materials, and they still may show an unfavorable environmental impact. They may contain different contaminants...
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Comparison of nitrogen and VFA removal pathways in autotrophic and organotrophic anammox reactors
PublicationOrganotrophic anammox is a promising process for treating both nitrogen and organic containing wastewater than that of the traditional autotrophic anammox for sole nitrogen removal. However pathways of nitrogen removal particularly at metagenomic level in both processes are still unknown. Here we report, metabolic pathways of nitrogen removal in two lab-scale sequencing batch reactors (SBR), one autotrophic and another organotrophic...
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Corrosion in Theory and Practice
e-Learning Coursesstopień: II, semestr: II
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Strain energy density and entire fracture surface parameters relationship for LCF life prediction of additively manufactured 18Ni300 steel
PublicationIn this study, the connection between total strain energy density and fracture surface topography is investigated in additively manufactured maraging steel exposed to low-cycle fatigue loading. The specimens were fabricated using laser beam powder bed fusion (LB-PBF) and examined under fully-reversed strain-controlled setup at strain amplitudes scale from 0.3% to 1.0%. The post-mortem fracture surfaces were explored using a non-contact...
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FEM analysis of composite materials failure in nonlinear six field shell theory
PublicationThe monography deals with the problem of failure initiation in thin laminated composites. Known techniques of laminate structures modelling are briefly characterised. Eventually, shell based approach is chosen for the purpose of the description of the composite structures behaviour, as it predicts their deformation and states of stress effectively in a global sense. The nonlinear six parameter shell theory (6p theory) with asymmetric...
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On the Equations of the Surface Elasticity Model Based on the Theory of Polymeric Brushes
PublicationMotivating by theory of polymers, in particular, by the models of polymeric brushes we present here the homogenized (continual) two-dimensional (2D) model of surface elasticity. A polymeric brush consists of an system of almost aligned rigid polymeric chains. The interaction between chain links are described through Stockmayer potential, which take into account also dipole-dipole interactions. The presented 2D model can be treated...
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Coffee Silverskin as a Multifunctional Waste Filler for High-Density Polyethylene Green Composites
PublicationThis work aims to describe the coffee silverskin effect as a lignocellulosic waste filler for high-density polyethylene (HDPE) composites development. The main task was to determine various modification effects resulting from the complex chemical composition of coffee silverskin containing compounds with potential antioxidative properties, including caffeine, polyphenols, tannins, or melanoidins. The processing, thermal, physicochemical,...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublicationWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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Evolution of charge density wave order in continuous solid solutions Lu(Ni1-xCox)C2
PublicationPseudo-ternary solid solutions, Lu(Ni1-xCox)C2 (0 ≤ x ≤ 1), were studied by means of powder X-ray diffraction, differential thermal analysis as well as electrical resistivity and heat capacity measurements. The crystal structure of the Lu(Ni1-xCox)C2 series, as investigated by means of X-ray powder diffraction, is of structure type CeNiC2, space group Amm2, Pearson symbol oS8. The structural analysis reveals a non-monotonous evolution,...
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Analysis of Residual Stresses and Dislocation Density of AA6082 Butt Welds Produced by Friction Sir Welding
PublicationThe Friction Stir Welding (FSW) method was employed to join AA6082 sheets. The welds were produced with different tool traverse speed (200 and 250 mm/min), rotational speed (1000 and 1250 RPM) and tool tilt angle (0 and 2 deg). Based on the analysis of XRD patterns, the total precipitation volume fractions in the nugget zones and the base material were calculated. The FSW process resulted in a reduction in the fraction of precipitates...
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THE INFLUENCE OF GESTALT THEORY ON ERNST CASSIRER’S PHENOMENOLOGY OF SYMBOLIC FORMS
PublicationIn the opinion of many scholars the notion of symbolic pregnancy is one of the key concepts in Ernst Cassirer’s philosophy of symbolic forms. Without a proper under-standing of its conceptual frame Cassirer’s philosophy lacks a consistent foundation. The notion symbolic pregnancy offers the mechanism of distinction of symbolic forms. The newest investigations (also in unpublished or less known, neglected writings of the philosopher)...
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THE CREATIVE AND SYMBOLIC FUNCTIONS OF DAYLIGHT IN THE ART MUSEUM BUILDINGS OF THE 21st CENTURY
PublicationThe paper presents the results of the study on the current extent of daylight use in contemporary buildings of art museums, focusing especially on the possibilities of aesthetic function. A case study and critical analysis were used as the research method. Selected, representative examples of museums of the 21st century are discussed with regard to the creative and functional use of daylight and the application of advanced technology....
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The methylome and transcriptome of fetal skin: implications for scarless healing
PublicationAim: Fetal skin is known to heal without scarring. In mice, the phenomenon is observed until the 16–17 day of gestation – the day of transition from scarless to normal healing. The study aims to identify key methylome and transcriptome changes following the transition. Materials & methods: Methylome and transcriptome profiles were analyzed in murine dorsal skin using microarray approach. Results & conclusion: The genes associated...
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Thermal and Mechanical Properties of Microporous Polyurethanes Modified with Reduced Graphene Oxide
PublicationMicroporous polyurethanes (MPU) were modified by adding 0.25%–1.25 wt% of reduced graphene oxide (RGO). The materials were prepared without solvent via in situ polymerization. From a technological point of view, it is very important to obtain functional materials by using reacting compounds only. The thermal characteristics of obtained MPU were investigated using TGA, DSC, and DMA techniques. In comparison to nonmodified microporous...
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An Overview of Image Analysis Techniques in Endoscopic Bleeding Detection
PublicationAuthors review the existing bleeding detection methods focusing their attention on the image processing techniques utilised in the algorithms. In the article, 18 methods were analysed and their functional components were identified. The authors proposed six different groups, to which algorithms’ components were assigned: colour techniques, reflecting features of pixels as individual values, texture techniques, considering spatial...
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STRUCTURE AND ALGORITHMS OF A DIAGNOSTIC DEVICE IN A WHEELED TRACTOR
PublicationDiagnostic device monitors the tractor’s technical condition and identifies the location of damaged components during operation. The diagnostic device detects and identifies the following types of defects: functional defects (uf) which affect performance, exhaust defects (ue) which increase toxic emissions and fuel consumption, defects that jeopardize driving safety (us), defects that affect engine performance (ud). The key component...
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Capacitance Enhancement by Incorporation of Functionalised Carbon Nanotubes into Poly(3,4-Ethylenedioxythiophene)/Graphene Oxide Composites
PublicationThis paper reports on the role of oxidised carbon nanotubes (oxMWCNTs) present in poly-3,4-ethylenedioxytiophene (PEDOT)/graphene oxide (GOx) composite. The final ternary composites (pEDOT/GOx/oxMWCNTs) are synthesised by an electrodeposition process from the suspension-containing monomer, oxidised carbon nanotubes and graphene oxide. Dissociated functional groups on the surface of graphene oxide play a role of counter-ions for the...
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Estimation and Prediction of Vertical Deformations of Random Surfaces, Applying the Total Least Squares Collocation Method
PublicationThis paper proposes a method for determining the vertical deformations treated as random fields. It is assumed that the monitored surfaces are subject not only to deterministic deformations, but also to random fluctuations. Furthermore, the existence of random noise coming from surface’s vibrations is also assumed. Such noise disturbs the deformation’s functional models. Surface monitoring with the use of the geodetic levelling...
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Integrated safety and security analysis of hazardous plants and systems of critical infrastructure
PublicationThis article addresses an integrated safety and security analysis approach of hazardous industrial plants and systems of critical infrastructure. Nowadays due to new hazards that emerge there are opinions among experts that these issues require an integrated approach in life cycle, from the design concept, through the design and operation of the plant, to its decommissioning. It is proposed to start from an interesting methodology...
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Linear and branched polyester resins based on dimethyl-2,5-furandicarboxylate for coating applications
PublicationIn this study, novel bio-based hydroxyl-functional (co)polyesters from dimethyl-2, 5-furandicarboxylate (DMF), 2,3-butanediol, and a variety of comonomers viz. glycerol, pentaerythritol or trimethylolpropane are prepared using a solvent-free, bulk polycondensation technique. Extensive molecular and thermal characterization was performed to elucidate the properties of these materials. The materials showed suitable properties for solvent-borne...
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An interactive system for remote modeling and design validation of hybrid photovoltaic systems
PublicationIn the paper a multi-functional demonstrator of the interactive system designed to modeling, monitoring and validation of hybrid photovoltaic systems assisted by fuel cells and thermoelectric generators is presented. The purpose of this paper is to report the system solution expressed in the form of a block diagram. Technical parameters of demonstrator components such as: silicon photovoltaic modules, fuel cells, thermoelectric...
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State of Development of Intelligent Transport Systems Services on National Roads in Poland
PublicationIn recent years we can see intensifying implementation of Intelligent Transport System (ITS) measures in Polish cities and on national roads. The architecture of the National Traffic Management System (KSZR) will enable the implementation of a uniform, integrated and intelligent ICT system to launch ITS systems that are the most important for drivers and the General Directorate for National Roads and Motorways (GDDKiA). This paper...
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Defence in depth conception in nuclear power plants and requirements for instrumentation and control systems
PublicationThe aim of this article is to identify and discuss some issues of the safety systems’ design for nuclear power plants equipped with the light water reactors using a defence in depth (D-in-D) conception. Because the functional safety solutions play nowadays an important role for the risk control, the basic requirements for the instrumentation and control systems are specified with regard to relevant international standards. For...
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Ergonomics in Polish outpatient clinics
PublicationOutpatient clinics are structures In which ergonomics play a key role. This fact is associated with an often occurring risk of developing hospital-acquired infection. The risk increases with mistakes made in wrong planning the functional and spatial lay-out is subordinated to high utilitarian requirements, including hygienic and sanitary, and technological requirements. A properly planned structure allows to reduce dangers more...
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Lightweight glass and metal roof structures in the 19th century. Architecture and construction.
PublicationThe 19th century brought new construction possibilities. The usage of metal elements in mesh structures, filled in with glass, resulted in creating entirely new types of objects. They have distinguished themselves in architecture and technical solutions. The envelope structures giving spatial interiors were arising very quickly. They have been enabling large light penetration, triggering them extremely bright. Thus these building...
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Experimental Testbed of ASON/GMPLS architecture
PublicationThe paper presents the ASON/GMPLS architecture realized in the Department of Teleinformation Networks at Gdansk University of Technology based on the FSP 3000R7 ADVA Optical Networking platform. The FSP 3000R7 is a high-performance WDM networking system with GMPLS control plane for bidirectional transmission of optical signals. The system uses a modular structure which enables a flexible upgrade of capacity and functionality. The...
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Performance and Stability in H2S of SrFe0.75Mo0.25O3-δ as Electrode in Proton Ceramic Fuel Cells
PublicationThe H2S-tolerance of SrFe0.75Mo0.25O3-δ (SFM) electrodes has been investigated in symmetric proton ceramic fuel cells (PCFC) with BaZr0.8Ce0.1Y0.1O3-δ (BZCY81) electrolyte. The ionic conductivity of the electrolyte under wet reducing conditions was found to be insignificantly affected in the presence of up to 5000 ppm H2S. The fuel cell exhibited an OCV of about 0.9 V at 700 °C, which dropped to about 0.6 V and 0.4 V upon exposure...
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Evaluation of the influence of the opening pressure of a marine Diesel engine injector on the results of numerical simulation of the working cycle and their comparison with the results of the laboratory experiment
PublicationThe article presents the results of a numerical simulation of the working process carried out in a diesel engine. In the applied utility program DIESEL-RK, the laboratory engine Farymann Diesel type D10 was implemented. A selected inoperability of its functional fuel supply system - reduced opening pressure of the injector pinj - was introduced. The values of adequate diagnostic parameters were determined: working gas temperature...
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What is in a name: Defining “high entropy” oxides
PublicationABSTRACT High entropy oxides are emerging as an exciting new avenue to design highly tailored functional behaviors that have no traditional counterparts. Study and application of these materials are bringing together scientists and engineers from physics, chemistry, and materials science. The diversity of each of these disciplines comes with perspectives and jargon that may be confusing to those outside of the individual fields,...
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Case Study on the Use of Unmanned Aerial Vehicles for the Maintenance of Ocean Engineering Facilities
PublicationThe article presents the concept of using innovative unmanned aerial vehicles (UAVs), including autonomous UAV-I for inspection activities, auxiliary and transport works in the processes of servicing large-scale ocean engineering structures in the offshore part of the sea. The proposed areas of application of UAV-I devices and key technologies determining the possibility of using these vehicles in difficult operating conditions...
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Proteolysis of whey protein isolates in nanoemulsion systems: impact of nanoemulsification and additional synthetic emulsifiers
PublicationNanoemulsions are currently of interest in the functional food sector because their small droplet size (100–500 nm) provides a number of potential advantages over conventional emulsions. This study concerned the behavior of nanoemulsions stabilized with whey proteins and two synthetic emulsifiers (Tween 80 and Croduret), and exposed to conditions simulating the human upper gastrointestinal tract. In particular, the effect of synthetic...