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Wyniki wyszukiwania dla: SOLARIS
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Metoda f-chart w zastosowaniu do projektu instalacji solarnej w budownictwie jednorodzinnym
PublikacjaW artykule przedstawiono algorytm obliczeń cieplnych związanych z konwersją promieniowania cieplnego oraz analizę efektów pracy instalacji solarnej przy użyciu metody korelacyjnej f-chart. Zaprezentowany algorytm obliczeń cieplnych oraz omówiona w artykule podstawowa odmiana metody f-chart zostały poparte przykładem obliczeniowym dla instalacji solarnej, która wykorzystywana jest do wspomagania układu przygotowania c.w. dla potrzeb...
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Massively parallel linear-scaling Hartree–Fock exchange and hybrid exchange–correlation functionals with plane wave basis set accuracy
PublikacjaWe extend our linear-scaling approach for the calculation of Hartree–Fock exchange energy using localized in situ optimized orbitals [Dziedzic et al., J. Chem. Phys. 139, 214103 (2013)] to leverage massive parallelism. Our approach has been implemented in the ONETEP (Order-N Electronic Total Energy Package) density functional theory framework, which employs a basis of non-orthogonal generalized Wannier functions (NGWFs) to achieve...
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PUBLICZNE ŚRODKI TRANSPORTOWE A SAMOCHÓD ELEKTRYCZNY W OBSŁUDZE PODRÓŻY MIEJSKICH W METROPOLII TRÓJMIEJSKIEJ
PublikacjaMetropolia trójmiejska ma wyjątkowo negatywne uwarunkowania terenowe dla funkcjonowania i rozwoju sieci komunikacji publicWyznej. Dzielnice położone w tzw. dolnym tarasie są dobrze skomunikowane za pomocą linii SKM i tramwajowych. Jedynie te środki komunikacji szynowej, przy częstotliwości połączeń nie większej niż co 10 minut, są konkurencyjne dla indywidualnych dojazdów samochodami osobowymi. Natomiast autobusy i trolejbusy utykające...
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CLEANING METHODS FOR DUST DEPOSITED ON THE FRONT COVER OF PHOTOVOLTAIC MODULE
PublikacjaPhotovoltaic modules are one of the renewable energy sources with great potential for application in various regions of the world as well as for different terrain. They are, however, sensitive to external factors, affecting the overall amount of energy generated, such as solar irradiance, shading effects and any form of soil build-up on the front glass cover of solar device. The latter issue happens over a course of weeks, months...
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Labour share and income inequalities in the European Union, taking into account the level of development of economies
Publikacjaesearch background: The relationship between labour share and income inequality is a complex and multifaceted problem. Despite ongoing discussions among economists, there is still no consensus on the direction of the relationship between labour share and income ine-quality. Purpose of the article: The article aims to assess the impact of labour share on income inequal-ity, which is measured in three ways: the Gini index...
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Routing Method for Interplanetary Satellite Communication in IoT Networks Based on IPv6
PublikacjaThe matter of interplanetary network (IPN) connection is a complex and sophisticated topic. Space missions are aimed inter alia at studying the outer planets of our solar system. Data transmission itself, as well as receiving data from satellites located on the borders of the solar system, was only possible thanks to the use of powerful deep space network (DSN) receivers, located in various places on the surface of the Earth. In...
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Large-scale DFT calculations in implicit solvent-A case study on the T4 lysozyme L99A/M102Q protein
PublikacjaW ostatnich latach zaproponowano szereg modeli typu implicit solvent, ktore bazują na bezpośrednim rozwiązaniu niejednorodnego równania Poissona w przestrzeni rzeczywistej. Modele te charakteryzują się elegancją, ponieważ wnęka, w której umieszczona jest molekuła substancji rozpuszczanej zdefiniowana jest bezpośrednio w funkcji gęstości elektronowej, a rozkład ładunku jest w sposób samouzgodniony polaryzowany dzięki reakcji dielektryka,...
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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublikacjaWe extend our recently developed quantum-mechanical/molecular mechanics (QM/MM) approach [Dziedzic et al., J. Chem. Phys. 145, 124106 (2016)] to enable in situ optimization of the localized orbitals. The quantum subsystem is described with ONETEP linear-scaling density functional theory and the classical subsystem – with the AMOEBA polarizable force field. The two subsystems interact via multipolar electrostatics and are fully...
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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublikacjaDensity functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFTMD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in...
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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublikacjaAbstract - We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurface of the electronic density according to the formula of Fattebert and Gygi (J. Comput. Chem., 23 (2002) 662). While this model depends on only two parameters, we demonstrate...
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublikacjaIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Multibeam Sonar Data Processing for Seafloor Classification
PublikacjaDespite many years of the development of methodology for sensing the seafloor by means of underwater acoustics, the currently used techniques are still not mature enough and not ready to be utilised in numerous different (i.e. with respect to a water region character, used equipment type etc.) tasks. Therefore the hydroacoustic methods, both utilising vertical observations (e.g. by singlebeam echosounders), as well as those relying...
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Kluczowe zagadnienia procesu recyklingu zużytych modułów fotowoltaicznych I i II generacji
PublikacjaW ramach technologii fotowoltaicznych wyróżniamy obecnie trzy generacje ogniw fotowoltaicznych. Pierwsza z nich to ogniwa z mono- i polikrystalicznego krzemu (c-Si), druga obejmuje ogniwa wykonane na bazie technologii cienkowarstwowej, zarówno z krzemu amorficznego (a-Si) jak i diseleneku indowo-miedziowo-galowego (CIGS), tellurku kadmu (CdTe) oraz arsenku galu (GaAs). Trzecia generacja to najnowsze technologie, takie jak: organiczne...
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Understanding the Electronic Structure and Optical Properties of Vacancy-Ordered Double Perovskite A2BX6 for Optoelectronic Applications
PublikacjaOver the past few years, metal halide perovskite solar cells have made significant advances. Currently, the single-junction perovskite solar cells reach a conversion efficiency of 25.7%. Perovskite solar cells with a wide band gap can also be used as top absorber layers in multi-junction tandem solar cells. We examined the dynamical and thermal stability, electronic structure, and optical features of In2PtX 6 (X = Cl, Br, and I)...
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Anatomy of noise in quantitative biological Raman spectroscopy
PublikacjaRaman spectroscopy is a fundamental form of molecular spectroscopy that is widely used to investigate structures and properties of molecules using their vibrational transitions. It relies on inelastic scattering of monochromatic laser light irradiating the specimen. After appropriate filtering the scattered light is dispersed onto a detector to determine the shift from the excitation wavelength, which appears in the form of...
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Influence of dipoles on the recombination in organic photovoltaic devices
PublikacjaAlthough organic compounds are promising materials to use them in photovoltaic devices, the efficiencies of organic solar cells are still lower in comparison to inorganic photocells. The recombination of charge carriers leads to the loss of photocurrent, therefore a detailed theoretical description of this process is required. In the present work, an influence of interface dipoles on the recombination process is discussed. We show...
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Effect of Polymerization Statistics on the Electronic Properties of Copolymers for Organic Photovoltaics
PublikacjaStatistical block copolymers, composed of donor (D) and acceptor (A) blocks, are a novel type of material for organic photovoltaics (OPVs) devices. In particular a new series of polymers based on PBTZT-stat-BDTT-8, recently developed by Merck, offers high solubility in different solvents, and a high power conversion efficiency (PCE) in different device architectures. Although it is known that the electronic properties of these...
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3D seafloor reconstruction using data from side scan and synthetic aperture sonar
PublikacjaSide scan and synthetic aperture sonars are widely used imaging systems in the underwater environment. They are relatively cheap and easy to deploy, in comparison with more powerful sensors, like multibeam echosounders. Although side scan and synthetic aperture sonars does not provide seafloor bathymetry directly, their records are finally related to seafloor images. Moreover, the analysis of such images performed by human eye...
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Photovoltaic demonstration set up
PublikacjaThe use of photovoltaics is growing rapidly in the industry as well as households. Therefore, educating the public will help them understand solar cell technology, which is becoming more common in everyday life. This paper proposes a demonstrational set-up of photovoltaic panel for the purpose of science education. It was used in numerous outreach activities such as science fairs. Moreover, it proved to be a great tool for education...
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Low voltage photovoltaic power system
PublikacjaThe use of photovoltaics is growing rapidly in the industry as well as households. Therefore, educating the public will help them understand solar cell technology, which is becoming more common in everyday life. This paper proposes a demonstrational set-up of photovoltaic panel for the purpose of science education. It was used in numerous outreach activities such as science fairs. Moreover, it proved to be a great tool for education...
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The Environmental Benefits of Photovoltaic Systems: The Impact on the Environment in the Production of Photovoltaic Systems: With a Focus on Metal Recovery
PublikacjaGreenhouse gases (GHGs) such as carbon dioxide, nitrous oxide and methane, trap heat and energy, thus preventing solar radiation from escaping back into space. As the quantity of greenhouse gases in the atmosphere increases so does the trapped heat and corresponding global temperature. As a result, storms become more violent, droughts more prevalent, glaciers melt, and sea levels rise, to name but a few effects of a rapidly changing...
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Implementation of DIFAR Processing in ASW Dipping Sonar
PublikacjaThis paper presents the implementation of the signal processing algorithm used by buoy DIFAR (Directional Frequency Analysis and Recording), that is fully operational on Polish Navy anti-submarine warfare (ASW) helicopters and ships, applied to dipping sonars for detection and tracking of submarines. The development of the DSP algorithms was a part of the modernization of sonars conducted at the Gdansk University of Technology....
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Distributed correlations and information flows within a hybrid multipartite quantum-classical system
PublikacjaUnderstanding the non-Markovian mechanisms underlying the revivals of quantum entanglement in the presence of classical environments is central in the theory of quantum information. Tentative interpretations have been given by either the role of the environment as a control device or the concept of hidden entanglement. We address this issue from an information-theoretic point of view. To this aim, we consider a paradigmatic tripartite...
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The Development of a Combined Method to Quickly Assess Ship Speed and Fuel Consumption at Different Powertrain Load and Sea Conditions
PublikacjaDecision support systems (DSS) recently have been increasingly in use during ships operation. They require realistic input data regarding different aspects of navigation. To address the optimal weather routing of a ship, which is one of the most promising field of DSS application, it is necessary to accurately predict an actually attainable speed of a ship and corresponding fuel consumption at given loading conditions and predicted...
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Towards Improving Optimised Ship Weather Routing
PublikacjaThe aim of the paper is to outline a project focusing on the development of a new type of ship weather routing solution with improved uncertainty handling, through better estimation of ship performance and responses to sea conditions. Ensemble forecasting is considered to take into account the uncertainty levels that are typical of operations in a stochastic environment. Increased accuracy of weather prediction is achieved through...
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Anion recognition by α-arylazo-N-confused calix[4]pyrroles
PublikacjaZsyntezowano nowe azowe pochodne N-odwróconych kaliks[4]piroli na drodze sprzęgania z różnymi solami arylodiazoniowymi. Zbadano zdolność kompleksowania anionów w chlorku metylenu oraz w acetonitrylu przez otrzymane związki z zastosowaniem spektrofotometrii UV-Vis.
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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublikacjaThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublikacjaWe 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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Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces
PublikacjaDensity functional theory (DFT) is often used for simulating extended materials such as infinite crystals or surfaces, under periodic boundary conditions (PBCs). In such calculations, when the simulation cell has non-zero charge, electrical neutrality has to be imposed, and this is often done via a uniform background charge of opposite sign (“jellium”). This artificial neutralization does not occur in reality, where a different...
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Zrównoważony rozwój lokalny. Podstawy teoretyczne i działania praktyczne
PublikacjaRozwój zrównoważony to jedna z koncepcji rozwoju lokalnego. Celem monografii jest prezentacja podstaw tego rozwoju na poziomie lokalnym oraz ukazanie jego przejawów i działań praktycznych w sferach gospodarczej, społecznej i ekologicznej, ze szczególnym uwzględnieniem dwóch wewnętrznych czynników rozwojowych – turystyki i oświaty. W pierwszym rozdziale przedstawiono teoretyczne podstawy rozwoju lokalnego. Omówiono najpowszechniej...
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POSSIBILITIES OF ELECTRICAL ENERGY GENERATION IN PHOTOVOLTAIC SYSTEMS INSTALLED IN CENTRAL EUROPE
PublikacjaNowadays, fossil fuels are the main sources of energy from which electricity is obtained. But these sources will not last forever, so in due course renewable energies will have to replace them in this role. One of these new sources is solar energy. To generate electricity from sunlight, solar (photovoltaic - PV) cells and modules are used. The increasing interest in PV cells and modules worldwide is due mainly to the fact that...
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The Possibility of Phase Change Materials (PCM) Usage to Increase Efficiency of the Photovoltaic Modules
PublikacjaSolar energy is widely available, free and inexhaustible. Furthermore this source of energy is the most friendly to the environment. For direct conversion of solar energy into useful forms like of electricity and thermal energy, respectively photovoltaic cells and solar collectors are being used. Forecast indicate that the first one solution will soon have a significant part in meeting the global energy demand. Therefore it is...
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Photovoltaic Maximum Power Point Technique based on Incremental Conductance (INCON) control algorithm
PublikacjaMaximum output power status can significantly improve the deployment rate of solar energy system. In order to get the maximum power output, issue of tracking maximum power point (MPP), reduced harmonics around MPP and improve efficiency of the solar power energy system, this paper presents the improved maximum power point tracking (MPPT) control...
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Investigation of Noise-Induced Instabilities in Quantitative BiologicalSpectroscopy and Its Implications for Noninvasive Glucose Monitoring
PublikacjaPrzedstawiono sposób oceny błędów jakie pojawiają się przy estymacji poziomu glukozy we krwi za pomocą pomiarów widm Ramana. Zastosowano nieliniowy algorytm regresji według maszyny wektorów nośnych. Określono jak na wyznaczenie stężenia glukozy we krwi wpływają błędy pomiarów widmach Ramana oraz błędów pomiaru referencyjnego stężenia glukozy podczas etapu kalibracji modelu (etapu uczenia algorytmu maszyny wektorów nośnych). Określono...
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TU‐FF‐A2‐04: New High‐Resolution Method to Measure the 3D Dose Distribution Around Brachytherapy Seeds Using BANG3‐Pro Gel Dosimetry
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The domination of ionic conductivity in tetragonal phase of the organometal halide perovskite CH3NH3PbI3-xClx
PublikacjaOrganometal trihalide perovskites have recently gained extreme attention due to their high solar energy conversion in photovoltaic cells. Here, we investigate the contribution of iodide ions to a total conductivity of the mixed lead halide perovskite CH3NH3PbI3−xClx with a use of the modified DC Hebb–Wagner polarization method. It has been identified that an ionic conductivity dominates in tetragonal phase which is associated with room...
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Experimental and numerical study of thermal and electrical potential of BIPV/T collector in the form of air-cooled photovoltaic roof tile
PublikacjaAmong renewable energy sources, Building-Integrated Photovoltaic/Thermal (BIPV/T) systems are gaining increasing interest. To improve their economic competitiveness, technologies that increase their efficiency are searched for. The paper is devoted to evaluating the impact of various air-cooling configurations on the thermal and electrical performance of a photovoltaic roof tile. A numerical model of the own experimental system...
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Tuning the work function of graphite nanoparticles via edge termination
PublikacjaGraphite nanoparticles are important in energy materials applications such as lithium-ion batteries (LIBs), supercapacitors and as catalyst supports. Tuning the work function of the nanoparticles allows local control of lithiation behaviour in LIBs, and the potential of zero charge of electrocatalysts and supercapacitors. Using large scale density functional theory (DFT) calculations, we find that the surface termination of multilayer...
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublikacjaIterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using...
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Mechanism of Li nucleation at graphite anodes and mitigation strategies
PublikacjaLithium metal plating is a critical safety issue in Li-ion cells with graphite anodes, and contributes significantly to ageing, drastically limiting the lifetime and inducing capacity loss. Nonetheless, the nucleation mechanism of metallic Li on graphite anodes is still poorly understood. But in-depth understanding is needed to rationally design mitigation measures. In this work, we conducted FirstPrinciples studies to elucidate...
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Li nucleation on the graphite anode under potential control in Li-ion batteries
PublikacjaApplication of Li-ion batteries in electric vehicles requires improved safety, increased lifetime and high charging rates. One of the most commonly used intercalation anode material for Li-ion batteries, graphite, is vulnerable to Li nucleation, a side reaction which competes with the intercalation process and leads to loss of reversible capacity of the battery, ageing and short-circuits. In this study, we deploy a combined grand...
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New light on the photocatalytic performance of NH4V4O10 and its composite with rGO
PublikacjaSolar-driven photocatalysis has shown great potential as a sustainable wastewater treatment technology that utilizes clean solar energy for pollutant degradation. Consequently, much attention is being paid to the development of new, efficient and low-cost photocatalyst materials. In this study, we report the photocatalytic activity of NH4V4O10 (NVO) and its composite with rGO (NVO/rGO). Samples were synthesized via a facile one-pot...
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Anisotropy and compaction gradient assessment on rammed earth specimens through sonic tomography approach
PublikacjaRammed earth is a traditional construction technique that has recently gained attention because of its benefits from an ecological perspective. The conservation of the existing valuable cultural heritage sites and the quality control of new constructions built with this material require the development and application of practical inspection techniques. This paper explores the application of sonic tests and sonic tomography as...
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Projekt i budowa regatowo-badawczej łodzi zasilanej energią słoneczną
PublikacjaW artykule opisano proces projektowania i budowy małej regatowej jednostki pływajacej zasilanej energią słoneczną. Opisano statrt w regatch Frisian Solar Challenge, które odbyły się w Holandii w 2010r.
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Light-improved glucose sensing on ordered Au-Ti heterostructure
PublikacjaNon-enzymatic electrochemical platforms sensitive towards glucose presence have attracted a worldwide attention during last decades. We report on influence of solar light onto response of gold-titanium heterostructures prepared via controllable approach. The material based on Au nanoparticles orderly distributed over the structured titanium foil was obtained by electrochemical anodization followed by chemical etching, magnetron...
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Characteristics of a new polymer gel for high-dose gradient dosimetry using a micro optical CT scanner
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The use of gel dosimetry to measure the 3D dose distribution of a90Sr/90Y intravascular brachytherapy seed
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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublikacjaThe importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized...
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LRIT - a novel system of vessels monitoring for maritime security and safety
PublikacjaW artykule przedstawiono propozycję architektury przyszłego, globalnego systemu monitorowania statków LRIT (Long Range ship's Identification and Tracking) podlegających konwencji SOLAS. Przedstawiono i scharakteryzowano poszczególne komponenty systemu ze szczególnym uwzględnieniem aspektów radiokomunikacyjnych.
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The structure and conductivity of solid polyurethane electrolyte
PublikacjaPrzedstawiono badania właściwości i struktury stałych elektrolitów poliuretanowych. Otrzymano je z prepolimeru zsyntezowanego z MDI oraz PTMG. Jako przedłużacz łańcucha wykorzystano butanodiol. W celu poprawy przewodnictwa domieszkowano poliuretan solami LiClO4 lub LiCl, które wprowadzono za pomocą wytłaczarki dwuślimakowej. Otrzymane elektrolity poddano badaniom: wytrzymałościowym, twardości, spektroskopii FTIR oraz przewodnictwa...