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Search results for: SECOND GRADIENT MATERIALS
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublicationWe present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...
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Optimization of the distance between the vertical plates in the convective air heat exchanger
PublicationThis paper examines the influence of the distance between vertical plates on the intensity of free convective heat transfer along with the optimization of this distance. Experimental tests were carried out for one model channel of such an heat exchanger with widths , 0.085 and 0.18 m. This channel, open at the top and sides, was formed by two isothermal symmetrically heated parallel vertical plates of dimensions m and m. The influence...
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Design and Optimization of Metamaterial-Based Dual-Band 28/38 GHz 5G MIMO Antenna with Modified Ground for Isolation and Bandwidth Improvement
PublicationThis letter presents a high-isolation dual-band multiple-input multiple-output (MIMO) antenna based on the ground plane modification and optimized metamaterials (MMs) for 5G millimeter-wave applications. The antenna is a monopole providing a dual-band response at 5G 28/38 bands with a small physical size (4.8 × 2.9 × 0.762 mm3, excluding the feeding line). The MIMO consists of two symmetric radiating elements arranged adjacently...
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Rapid optimization of compact microwave passives using kriging surrogates and iterative correction
PublicationDesign of contemporary microwave components is—in a large part—based on full-wave electromagnetic (EM) simulation tools. The primary reasons for this include reliability and versatility of EM analysis. In fact, for many microwave structures, notably compact components, EM-driven parameter tuning is virtually imperative because traditional models (analytical or network equivalents) are unable to account for the cross-coupling effects,...
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Surrogate-Assisted Design of Checkerboard Metasurface for Broadband Radar Cross-Section Reduction
PublicationMetasurfaces have been extensively exploited in stealth applications to reduce radar cross section (RCS). They rely on the manipulation of backward scattering of electromagnetic (EM) waves into various oblique angles. However, arbitrary control of the scattering properties poses a significant challenge as a design task. Yet it is a principal requirement for making RCS reduction possible. This article introduces a surrogate-based...
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Expedited Trust-Region-Based Design Closure of Antennas by Variable-Resolution EM Simulations
PublicationThe observed growth in the complexity of modern antenna topologies fostered a widespread employment of numerical optimization methods as the primary tools for final adjustment of the system parameters. This is mainly caused by insufficiency of traditional design closure approaches, largely based on parameter sweeping. Reliable evaluation of complex antenna structures requires full-wave electromagnetic (EM) analysis. Yet, EM-driven...
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Magnetic Signature Description of Ellipsoid-Shape Vessel Using 3D Multi-Dipole Model Fitted on Cardinal Directions
PublicationThe article presents a continuation of the research on the 3D multi-dipole model applied to the reproduction of magnetic signatures of ferromagnetic objects. The model structure has been modified to improve its flexibility - model parameters determined by optimization can now be located in the cuboid contour representing the object's hull. To stiffen the model, the training dataset was expanded to data collected from all four cardinal...
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Torsional elasticity and energetics of F1-ATPase
PublicationFoF1-ATPase is a rotary motor protein synthesizing ATP from ADP driven by a cross-membrane proton gradient. The proton flow through the membrane-embedded Fo generates the rotary torque that drives the rotation of the asymmetric shaft of F1. Mechanical energy of the rotating shaft is used by the F1 catalytic subunit to synthesize ATP. It was suggested that elastic power transmission with transient storage of energy in some compliant...
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Mariusz Szkoda dr inż.
PeopleMariusz Szkoda urodził się w 1990 roku w Pieniężnie (woj. Warmińsko-Mazurskie), a II LO im. Feliksa Nowowiejskiego ukończył w Braniewie. Studia odbył w latach 2009–2014 na Wydziale Chemicznym Politechniki Gdańskiej (kierunek: Technologie ochrony środowiska, Złota Odznaka Absolwenta). Poza statusem doktoranta, mgr inż. Mariusz Szkoda od października 2017 r. jest także asystentem na Wydziale Chemicznym, a od 2014 roku współpracuje...
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Phase change thermal energy storage – the experience of the materials preparation for the specific applications.
PublicationThermal energy storage and temperature stabilization is very important in many engineering applications. There are three kinds of thermal energy storage: sensible heat, latent heat and reversible chemical reaction heat. Phase change materials (PCM) absorb, store and release large amounts of energy in the form of latent heat, at constant temperature, called the transition temperature. Many innovative applications could be found...
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Electronic transition dipole moment functions of the second singlet Sigma ungerade plus and second triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma ungerade plus (2sSu+) and second triplet Sigma gerade plus (2tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electrostatic interface recombination in the system of disordered materials characterized by different permittivities
PublicationWe report on the analysis of an electrostatic interface recombination in a system consisting of disordered organic materials. This process is a consequence of the polarization effect which takes place at the interface of two phases characterized by different permittivities. In this paper, the impact of tail and deep localized states on the recombination order is demonstrated. We also discuss the influence of temperature on this...
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Development of potential candidate reference materials for drugs in bottom sediment, cod and herring tissues
PublicationRegular use of a reference material and participation in a proficiency testing program can improve the reliability of analytical data. This paper presents the preparation of candidate reference materials for the drugs metoprolol, propranolol, carbamazepine, naproxen, and acenocoumarol in freshwater bottom sediment and cod and herring tissues. These reference materials are not available commercially. Drugs (between 7 ng/g and 32...
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Materials for energy storage and conversion devices 2022/2023
e-Learning CoursesElectrodes: Metals as electrodes in aqueous and non-aqueous systems, metal nanoparticles. Collectors current. 3D, 2D, 1 D carbons, carbon nanomaterials. Organic semiconductors "Synthetic metals" - p-type, n-type. Inorganic semiconductors: oxides, selenides, sulfides, others. Intercalated electrodes. Mixed conductors (MIEC). Photo-active semiconductor materials. Electrolytes. Water electrolytes in commercial products. Electroactive...
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Towards sugar-derived polyamides as environmentally friendly materials
PublicationAs part of our ongoing study investigating isohexide-based polyamides, we have synthesized isosorbide(bis(propan-1-amine)) (DAPIS) and studied its reactivity in the polymerization towards fully biobased polyamides. Polycondensation of nylon salts with various contributions of DAPIS afforded a family of homo- and copolyamides, which were characterized using complementary spectroscopic techniques. The chemical structure of the materials...
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Production of certified reference materials - homogeneity and stability study based on the determination of total mercury and methylmercury
PublicationReference materials (RMs) play an important role in all elements of the quality assurance system of measurements. In this work, ``package'' 4 new CRMs (bottom sediment, herring tissue, cod tissue, cormorant tissue) were prepared and characterised to carry out the quality control in monitoring analysis of mercury and methylmercury in environmental samples. Materials - candidates were collected in Poland and south part of the Czech...
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Chitosan-protein scaffolds loaded with lysostaphin as potential antistaphylococcal wound dressing materials.
PublicationAIMS: The development of technology for preparing chitosan-protein scaffolds loaded with lysostaphin, which potentially could be used as dressing for wound treatment and soft tissue infections caused by Staphylococcus aureus. METHODS AND RESULTS: The unique technology of chitosan solubilization using gaseous CO(2) instead of organic or inorganic acids was used for the incorporation of lysostaphin, the enzyme that exhibits bactericidal...
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Silver(I) complexes with nitrile ligands: New materials with versatile applications
PublicationIn the present study, the structure, thermal stability, conductive properties, and antimicrobial activity of silver(I) complexes with nitrile ligands were investigated. For the construction of the materials, 2-cyanopyridine (2-cpy), 4-cyanopyridine (4-cpy), 1,2-dicyanobenzene (1,2-dcb), and 1,3-dicyanobenzene (1,3-dcb) were used in addition to the silver nitrite and nitrate. Four new compounds were isolated and structurally characterized:...
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Composites of tin oxide and different carbonaceous materials as negative electrodes in lithium-ion batteries
PublicationAbstract Tin and tin oxide have been considered as suitable materials with high theoretical capacity for lithium ion batteries. Their low cost, high safety and other technical benefits placed them as promising replacements for graphite negative electrodes. The problem to overcome with tin oxide, as well as with other metallic materials, is high volume changes during alloying/dealloying, subsequent pulverization, delamination from...
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Technical Subjects – supplementary materials
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Recent advances on magnetic carbon-related materials in advanced oxidation processes of emerging pollutants degradation
PublicationRecently, carbon-related materials have been proposed to improve the charge separation of the photogenerated carriers in the semiconductor matrices’ and surface properties. Carbon-related materials may act as co-catalysts, enhancing the pollutants adsorption on the surface, improving the charge carriers separation and photocatalyst stability and providing more active centres for photocatalytic reactions. This review summarizes...
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Low and high energy explosive materials used in shale gas recovery
PublicationNowadays the explosives are widely used in many areas of life, including industry and mining. A wide range of explosive materials is used in the petroleum industry - from low to high explosives. Recently, as the unconventional oil and gas production became possible, explosives are also found to be used in perforators during the pre-completion stage of the fracturing process. This paper presents literature on theoretical and practical...
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Raman spectra of PCMCA-X (potassium citrate derived porous carbon materials obtained at various temperatures of carbonization)
Open Research DataThese data contain Raman spectra of PCMCA-700 (potassium citrate derived porous carbon materials obtained at 700°C ), PCMCA-800 (potassium citrate derived porous carbon materials obtained at 800°C ), PCMCA-900 (potassium citrate derived porous carbon materials obtained at 900°C ). The D peak at 1340 cm−1 and the G peak at 1592 cm−1 can be seen in all...
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Determination of thiocyanate as a biomarker of tobacco smoke constituents in selected biological materials of human origin
Publicationn order to protect human health, it is necessary to biomonitor toxic substances originating from tobacco smoke in biological materials sampled from persons with different exposures to tobacco smoke constituents. Thiocyanate anion is a biomarker of exposure to tobacco smoke components which is characterized by a relatively long half‐life in the human body, i.e. 6 days. In this work, we present the results of thiocyanate determinations...
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XRD pattern of Mo2Ga2C, Mo2CTx/Mo2GaC and Ni-Mo2CTx/Mo2Ga2C materials
Open Research DataIn the dataset are included raw data for the preparation of XRD pattern of Mo2Ga2C, Mo2CTx/Mo2GaC and Ni-Mo2CTx/Mo2Ga2C materials.
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Application of organic materials in electronics
PublicationRozwój urządzeń elektronicznych na bazie materiałów organicznych przestawia jedno z najbardziej spektakularnych osiągnięć nauki w XXI wieku. Do produkcji zostały wdrożone urządzenia zbudowane na cienkich warstwach organicznych, i poczynione zostały pierwsze kroki w kierunku rozwoju elektroniki molekularnej. Celem publikacji jest dostarczenie podstawowych informacji dotyczących urządzeń elektronicznych zbudowanych na bazie cienkich...
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Conductivity and superconductivity in granular materials
PublicationMetale i nadprzewodniki granulaste są bardzo ciekawymi materiałami dzięki jednoczesnej obecności oddziaływań kulombowskich, tunelowania elektronów i par Coopera oraz różnych zjawisk związanych z nieuporządkowaniem. W pracy przedstawiono i porównano niektóre właściwości granulastych nisko- i wysokotemperaturowych nadprzewodników. Granulasty nadprzewodnik wysokotemperaturowy otrzymano metodą krystalizacji w fazie stałej szkła (Bi,Pb)-Sr-Ca-Cu-O....
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Determination of molybdenum in biological materials
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Sampling selected solid materials
PublicationW pracy przedstawiono: ogólne zasady pobierania próbek gleby, osadów dennychi innych materiałów stałych; opis urządzeń do pobierania próbek materiałówstałych; techniki przygotowania pobranych próbek do analizy.
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An investigation on wetting of porous materials
PublicationPośrednie metody oceny zdolności zwilŜania drobnych cząstek lub materiałów porowatych wymagają wyboru cieczy odniesienia, dla której kąt zwilŜania jest równy zeru. W badaniach własnych zastosowanometodę wzniesienia kapilarnego oraz metodę flotacji filmowej dla układów mikrokulki szklane-woda i mikrokulki szklane-dekan. Uzyskane dane dla cieczy odniesienia i dla cieczy badanej wprowadzano dozmodyfikowanego równania Washburn'a i...
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Modelling of engineering materials with microstructure
PublicationArtykuł omawia różne modele do opisu lokalizacji odkształceń w postaci rys i stref ścinania w materiałach budowlanych takich jak grunt i beton. Zastosowane modele mechaniki ośrodka ciągłego i modele dyskretne.
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Experimental comparison of hydrodynamic thrust bearings with different pad surface materials
PublicationBabbitt is the material most frequently used as the pad surface material for hydrodynamic bearings operating at usual operating conditions. It shows many advantages important for safe bearing operation, as for example: low friction coefficient, corrosion resistance, fair mechanical properties and outstanding conformability. On the other hand, it is not free from disadvantages, such as limited fatigue strength or limited resistance...
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Thermal and technological aspects of double face grinding of Al2O3 ceramic materials
PublicationDouble face grinding with planetary kinematics is a process to manufacture workpieces with plan parallel functional surfaces, such as bearing rings or sealing shims. In order to increase the economic efficiency of this process, it has to be advanced permanently. The temperature in the contact zone of most grinding processes has a huge influence on the process efficiency and the workpiece qualities. In contrast to most grinding...
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Evidence for SrHo2O4 and SrDy2O4 as model J1- J2 zigzag chain materials
PublicationNeutron diffraction and inelastic spectroscopy is used to characterize the magnetic Hamiltonian of SrHo2O4 and SrDy2O4. Through a detailed computation of the crystal-field levels we find site-dependent anisotropic single-ion magnetism in both materials, and diffraction measurements show the presence of strong one-dimensional spin correlations.Our measurements indicate that competing interactions of the zigzag chain, combinedwith...
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Wastes from Agricultural Silage Film Recycling Line as a Potential Polymer Materials
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 potential methods for their utilization. In the presented work, we investigated the recycling potential of wastes originated from the agricultural films recycling line. Their structure and properties were analyzed, and they were...
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Towards large-scale application of nanoporous materials in membranes for separation of energy-relevant gas mixtures
PublicationMembranes containing nanoporous materials (such as zeolites, metal–organic materials and 2D materials such as graphene derivatives) may allow more efficient separation of gas mixtures relevant to emerging energy technologies. For example, such membranes could be applied in the separation of gases containing mixtures of carbon dioxide (CO2) and hydrogen (H2). However, these membranes are currently at a relatively low technology...
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The effect of ionic liquids on the surface and photocatalytic properties of semiconducting materials
PublicationSemiconductor-mediated photocatalysis represents an environmentally friendly technology that could be used for the degradation of different pollutants in the gas and aqueous phases, for hydrogen generation, and for CO2-to-valuable product transformation reactions. Therefore, it is extremely important to accurately design a photocatalyst with the relevant features. In recent years, ionic liquids have often been employed as reagents...
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Piotr Jaskuła dr hab. inż.
PeopleI am a Faculty member (Associate Professor, Highway and Transportation Research Department) at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland).My main research interests include: pavement structures, interlayer bonding, pavement materials, recycling of road pavements, asphalt mixtures, bitumens, construction and maintenance of pavement structures.My lectures at the University include:...
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Effects of Intermittent Hypoxic Training on Aerobic Capacity and Second Ventilatory Threshold in Untrained Men
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Positive solutions for second order impulsive differential equations involving Stieltjes integral conditions
PublicationIn this paper we investigate integral boundary value problems for fourth order differentialequations with deviating arguments.Wediscuss our problem both for advanced or delayedarguments. We establish sufficient conditions under which such problems have positivesolutions. To obtain the existence of multiple (at least three) positive solutions, we use afixed point theorem due to Avery and Peterson. An example is also included to...
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Engineering TADF, Mechanochromism, and Second Harmonic Up- conversion Properties in Regioisomeric Substitution Space
PublicationThis research article explores the distinct TADF efficiency of three donor-acceptor based regio-isomers: DPAOCN (ortho- isomer), DPAMCN (meta-isomer), and DPAPCN (para-isomer). DPAPCN exhibits maximum TADF efficiency in both solution and solid-state with an impressive reverse inter-system crossing (RISC) rate of ~ 106 s-1; the underlying cause being the minimum singlet-triplet splitting energy or ∆EST and maximum SOC (spin-orbit...
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P-448 The impact of assisted reproductive technology for second births: a follow-up study
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Phase Change Thermal Energy Storage – The Experience of the Materials Preparation for the Specific Applications.
PublicationThermal energy storage and temperature stabilization is very important in many engineering applications. There are three kinds of thermal energy storage: sensible heat storage, latent heat storage and reversible chemical reaction heat storage. Phase change materials (PCM) absorb, store and release large amounts of energy in the form of latent heat, at constant temperature, called the transition temperature. The amount of heat...
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Hybrid and additive manufacturing processes, W, L, second-cycle studies, sem. 2, 2022/2023
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Analytical applications and physicochemical properties of ionic liquid-based hybrid materials: A review
PublicationIonic liquids with their unique properties found so far numerous analytical applications. Among them ionic liquids immobilized on the surface or within the pores of a solid support were successfully utilized in extraction techniques dedicated to preconcentration of the analytes from food, environmental and biological samples. In this review we focus on comprehensive summarizing of available literature data on the examples of ionic...
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Towards evaluation of the Second Generation Intact Stability Criteria - examination of a fishing vessel vulnerability to surf-riding, based on historical capsizing
PublicationThe Second Generation Intact Stability Criteria (SGISC) are the latest achievements in the field of intact ship stability assessment. The criteria are the result of massive international cooperative efforts and extensive research that lasted more than 15 years. Even though they are based on a solid scientific foundation, the trial period has commenced to collect user experience and further validation. One of possible approaches...
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One More Step Towards a Circular Economy for Thermal Insulation Materials—Development of Composites Highly Filled with Waste Polyurethane (PU) Foam for Potential Use in the Building Industry
PublicationThe rapid development of the building sector has created increased demand for novel materials and technologies, while on the other hand resulting in the generation of a severe amount of waste materials. Among these are polyurethane (PU) foams, which are commonly applied as thermal insulation materials. Their management is a serious industrial problem, due to, for example, their complex chemical composition. Although some chemical...
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Structure and thermoelectric properties of Te/Ag/Ge/Sb (TAGS) materials obtained by reduction of melted oxide substrates
PublicationThe Ge0.77Ag0.1Sb0.13Te1alloy was fabricated by a novel two step route. For that purpose firstly the oxide reagents were melted at high temperature and quenched into pellets. After that pellets were milled to the powder and then reduced in hydrogen at various temperatures and for various periods of time. Energy dispersive X-ray analysis indicated the possibility of successful fabrication of stoichiometric thermoelectric materials...
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Strength of materials II, Tutorials and Laboratory, DaPE, sem. 04, summer 22/23, (PG_00050281)
e-Learning CoursesTutorials and Laboratory on Strength of materials II.
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Size effects in wedge indentation predicted by a gradient-enhanced crystal-plasticity model
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