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Search results for: density functional calculations
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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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Displacements of chimney in the light of computer calculations and surveying
PublicationThe article presents the numerical analysis of reinforced concrete chimney displacements, which was carried out geodetic measurements.
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First-principles calculations of the lattice dynamics of CuInSe2
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Quantum-classical calculations of the nanomechanical properties of metals
PublicationTradycyjnie symulacje komputerowe układów w skali atomowej prowadzone są przy użyciu klasycznej metody dynamiki molekularnej (MD) bądź kwantowych metod ab initio. Główną wadą ujęcia klasycznego jest jego empiryczna natura, a co za tym idzie - niewielka przenośność, jego prostota natomiast pozwala na przeprowadzanie symulacji układów zawierających miliony atomów. W wyniku zastosowania metod kwantowych otrzymuje się bardziej wiarygodne...
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LattE- first-principles lattice energy calculations
PublicationCrystal engineering is currently attracting much interest. Its aim is to create materials of predefined properties fulfilling the requirements imposed by the applications. There are several parameters describing crystal structures, but the most important one is probably the energy of a crystal lattice. It is the energy released by the system when crystalline solid is formed out of molecules or ions in gaseous phase. Approximate...
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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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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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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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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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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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Weak hydrogen bonding interaction S-H···O=C studied by FT-IR spectroscopy and DFT calculations
PublicationInteractions between the thiolate group of tri-tert-butoxysilanethiol (TBST) and carbonyl group of acetone are studied with the use of FT-IR spectroscopy and DFT calculations.
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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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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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Homoclinics for singular strong force Lagrangian systems in R^N
PublicationWe will be concerned with the existence of homoclinics for second order Hamiltonian systems in R^N (N>2) given by Hamiltonians of the form H(t,q,p)=Φ(p)+V(t,q), where Φ is a G-function in the sense of Trudinger, V is C^2-smooth, periodic in the time variable, has a single well of infinite depth at a point ξ and a unique strict global maximum 0 at the origin. Under a strong force type condition aroud the singular point ξ, we prove...
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The effect of Sr and Mg substitutions on structure, mechanical properties and solubility of fluorapatite ceramics for biomedical applications
PublicationIonic substitutions play important role in the modifications of biological apatites. Recently, attention has been focused on the co-doping effects on the functional properties of apatite-based biomaterials. In this research work, the dense samples of fluorapatites, Ca10(PO4)6F2 and Ca8MgSr(PO4)6F2, were produced after sintering at 1250 °C for 6 h in air. Structural characterization carried out with XRD, IR, Raman and SEM, confirmed...
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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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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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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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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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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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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...
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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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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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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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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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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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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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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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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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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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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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Do the New Requirements for the Use of Energy Efficient Lighting Design Mean the End of Creativity?,
PublicationThis paper addresses issues strongly connected to recent environmental discussions which are currently taking place in Europe, Asia, America, Australia and other parts of the world about global warming, the Greenhouse Effect, light pollution and other negative impacts artificial lighting has on our planet and what can be done about it. The author also attempts to answer indirectly two of the most important questions for lighting...
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Application of multicriteria decision analysis to assess the greenness of molecularly imprinted polymers synthesis components
PublicationThe study applies multicriteria decision analysis (MCDA) to rank the components of molecularly imprinted polymers (MIPs) synthesis according to their greenness. The components are taken from papers that are describing synthesis of MIPs for persistent organic pollutants (POPs) sorbents. Functional monomers (n = 14), target/surrogate molecules (n = 10), porogens (n = 8), cross-linking agents (n = 8) and initiators (n = 4) are described...
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A convergence result for mountain pass periodic solutions of perturbed Hamiltonian systems
PublicationIn this work, we study second-order Hamiltonian systems under small perturbations. We assume that the main term of the system has a mountain pass structure, but do not suppose any condition on the perturbation. We prove the existence of a periodic solution. Moreover, we show that periodic solutions of perturbed systems converge to periodic solutions of the unperturbed systems if the perturbation tends to zero. The assumption on...
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Quantum Coherence as a Resource
PublicationThe coherent superposition of states, in combination with the quantization of observables, represents one of the most fundamental features that mark the departure of quantum mechanics from the classical realm. Quantum coherence in many-body systems embodies the essence of entanglement and is an essential ingredient for a plethora of physical phenomena in quantum optics, quantum information, solid state physics, and nanoscale thermodynamics....
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A dual-control strategy based on electrode material and electrolyte optimization to construct an asymmetric supercapacitor with high energy density
PublicationMetal-organic frames (MOFs) are regarded as excellent candidates for supercapacitors that have attracted much attention because of their diversity, adjustability and porosity. However, both poor structural stability in aqueous alkaline electrolytes and the low electrical conductivity of MOF materials constrain their practical implementation in supercapacitors. In this study, bimetallic CoNi-MOF were synthesized to enhance the electrical...
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Uncertainty in measuring the power spectrum density of a random signal
PublicationPrzedstawiono sposób oszacowania niepewności wyznaczania gęstości widmowej mocy przebiegu losowego. Przeprowadzono ocenę niepewności estymacji gęstości widmowej mocy biorąc pod uwagę propagację niepewności związanej z rejestracją pojedynczej próbki sygnału w algorytmie cyfrowego przetwarzania sygnału oraz błąd obciążenia estymatora wynikający z zastosowanego modelu matematycznego wielkości wyznaczanej. Wyprowadzono zależności na...
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The changes of crosslink density of polyurethanes synthesised with using recycled component. Chemical structure and mechanical properties investigations.
PublicationThis paper aims at the utilisation of glycerolysate (Gly) obtained in polyurethane recycling process by means of crude glycerine, which has in its structure hydroxyl end groups that allow for further processing. Polyurethanes (PUs) were synthesised using prepolymer method with the mixture of neat polyol and glycerolysate, in different ratios, with 4,4-diphenylmethane diisocyanate (MDI). The prepolymer was subsequently extended...
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Investigation of the Effect of The Temperature and Magnetization Pattern on Flux Density, Instantaneous Torque, Unbalanced Magnetic Forces of a Surface Inset PMM
PublicationElectrical machines utilized in domestic applications such as ceiling fans should have low losses and cost. Permanent magnets are used instead of rotor excitation to reduce losses. Therefore, not only the losses of the rotor winding are eliminated, but also the efficiency of the machine is increased. A surface inset consequent pole (SICP) machine has also been used to reduce costs. Because less magnets are utilized in this structure....
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Evolution of Edges and Porosity of Urban Blue Spaces: A Case Study of Gdańsk
PublicationCurrent waterfront studies focus mainly on a land-based perspective, failing to include the water side. Water is, however, not just a resource for port and industrial purposes and an edge to the waterfront; it is also a feature of the waterfront and the complex relation between water and city. Thus, the article suggests that water-land edges need to be re-contextualised, taking into consideration also their shape, functionality,...
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The Revitalization Processes of the Port Structures in Gdynia and Gdansk on the Background of Contemporary Port Changes
PublicationTransformations of the port facilities against the modernization of the port structures are present in many city-port centers since more than 50 years. The modernization taking place in the ports located in Gdynia-Gdansk mainly concerns communication availability and adapted to the multimodal technology of transport and transshipment. Developing specialized tech-terminals serving a specific type of load, causes development of the...
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Nondestructive methods complemented by FEM calculations in diagnostics of cracks in bridge approach pavement
PublicationNondestructive methods of road pavement diagnostics are an alternative to traditional approach to pavement failure investigation. The article presents a detailed multidisciplinary inspection carried out using ground-penetrating radar (GPR), laser scanning technology and finite element method (FEM) calculations. It was done in order to assess the factors that contributed to occurrence of premature cracks of a bridge approach pavement....
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Endometrial nitric oxide production and nitric oxide synthases in the equine endometrium: Relationship with microvascular density during the estrus cycle
PublicationNitric oxide (NO) plays an important role in angiogenesis and in the regulation of the blood flow. This study was carried out to investigate (i) the effects of endogenous estrogens and progestins and exogenous progesterone (P(4)) (5 ng/ml or 1 microg/ml) or estradiol 17beta (E(2)beta) (50 pg/ml or 1 microg/ml) on in vitro endometrial NO synthesis; (ii) the presence of different isoforms of NO synthase;...
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Calculations of notch stress factor of a thin-walled spreader bracket fillet weld with the use of a local stress approach
PublicationPresence of geometric notches in welded joints causes concentration of strains and stresses, therefore reducing fatigue strength of such joints. This article presents an analysis of stress concentrations in a fillet weld of a spreader mounting bracket on a small sailing yacht. The aim of this article is to direct the attention of designers, manufacturers and regulatory bodies to issues of fatigue cracks that form in brackets fastening...
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High-density Polyethylene - Expanded Perlite Composites: Structural Oriented Analysis of Mechanical and Thermomechanical Properties
PublicationAs part of this work, research was carried out on the effect of the addition of expanded perlite (PR) on the mechanical and thermomechanical properties of high-density polyethylene (PE) composites. Composites containing from 1 to 10 wt% of the inorganic filler were produced. Polyethylene-based composites manufactured by twin-screw extrusion and formed in the compression molding process were subjected to mechanical, thermomechanical,...
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Use of response surface methodology in characterization of properties of recycled high density polyethylene/ground tire rubber compositions
PublicationSearching for newways to utilize rubber and polymerwaste has been the focus of many studies conducted by research centers and companies worldwide. In this study, the influence of extrusion conditions on the properties of thermoplastic compositions containing post-production recycled high density polyethylene (PE-HD) and ground tire rubber (GTR) at 50:50 mass ratiowas examined. Response Surface Methodology (RSM) was used to determine...
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Earthworks calculations due to reconstruction of railway geometrical layout
PublicationThe paper characterizes continuation of ongoing work of computer program MUGO which is connected with earthworks. The program is related to the modernization of the railway track layout. The methodology for the calculating the size of earthworks in the areas of embankments on the two way railway line is discussed in detail.
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Mathematical model and numerical calculations of the pelagic trawl system
PublicationW pracy przedstawiono matematyczny model ruchu środka ciężkości zestawu do trałowania pelagicznego wraz z wyznaczaniem jego parametrów geometrycznych. Pokazano także sposób rozwiązania i przykładowe wyniki obliczeń numerycznych. Opracowany program komputerowy może być wykorzystywany do wyznaczania optymalnych parametrów pracy dla zapewnienia bezpiecznych, efektywnych i ekologicznych połowów pelagicznych