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A Maximum-Likelihood Approach to Force-Field Calibration
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Phytoplankton in the Gulf of Gdańsk– microscope photos archive
Dane BadawczeHarmful blooms of cyanobacteria an dinoflagellates are recorded every year in various areas of the Baltic Sea. The data set contains photos of potentially toxic phytoplankton species found in the Gulf of Gdańsk and Puck Bay. These photos show potentialy toxic cyanobacteria and dinoflagellates observed in the surface water samples collected between 2010-2020....
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41st European Group for Atomic Systems Conference Book of Abstracts
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Building federation of digital libraries basing on concept of atomic services
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Analysis of the image force effects on the recombination at the donor-acceptor interface in organic bulk heterojunction solar cells
PublikacjaWe consider the influence of image force effects on the recombination at the donor-acceptor interface in organic bulk heterojunction solar cells. The conclusion is that the charge carriers of one sign located in the material with lower permittivity recombine at the boundary between donor and acceptor phases. This process competes with the recombination of opposite sign charge carriers, leading to the reduction of the Langevin-type...
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Journal of Atomic and Molecular Sciences
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Exploration and Research for Atomic Minerals
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Nuclear Physics and Atomic Energy
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublikacjaWe 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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Formation of gold anostructures detected by SEM microscope
Dane BadawczeGold nanostructures were prepared on silicon - Si(111) as a substrate. The substrates (1 × 1 cm2 of area) were cleaned with acetylacetone and then rinsed in ethanol. Thin Au films (with thicknesses in a range of 1.7–5.0 nm) were deposited using a table-top dc magnetron sputtering coater (EM SCD 500, Leica) under pure Ar plasma conditions (Argon, Air...
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Force transfer and stress distribution in short cantilever deep beams loaded throughout the depth with a various reinforcement
PublikacjaDeep beams used as the main reinforced concrete structural elements which taking over the load and stiffening construction are often found in high-rise buildings. The architecture of these buildings is sometimes sophisticated and varied, arouse the admiration of the majority of recipients, and thus causing an engineering challenge to correctly design the structural system and force transfer. In such structures is important to shape...
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Scanning Electrone Microscope images of biochar produced from straw and wood chips
Dane BadawczeThis dataset contains scanning electron microscope images of two types of biochars derived from waste plant biomass: straw and wood chips. Imaging was performed using a scanning electron microscope, FEI Quanta FEG250. with a SE-ETD detector (secondary electron – Everhart-Thornley detector), using 20 kV accelerating voltage.
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Spectral reflectance modeling of ZnO layers made with Atomic Layer Deposition for application in optical fiber Fabry-Perot interferometric sensors
PublikacjaSuitability of zinc oxide (ZnO) layers grown using Atomic Layer Deposition for operation in optical-fiber extrinsic Fabry-Perot sensors is investigated using a numerical model. Reflectance spectra obtained using the developed model indicate that the application of these layers in optical-fiber extrinsic Fabry-Perot sensors is difficult as it may require a source whose spectrum width is about 300 nm. A series of ZnO layers grown...
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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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ECONOMIC GROWTH AND FEMALE LABOR FORCE PARTICIPATION – VERIFYING THE U-FEMINIZATION HYPOTHESIS. NEW EVIDENCE FOR 162 COUNTRIES OVER THE PERIOD 1990-2012.
PublikacjaThe paper contributes by providing new insights into relationship between female labor force and economic growth in 162 world countries over the period 1990-2012. It is anticipated uncovering U-shaped relationship between female labor force participation and economic growth. The analysis is run in two different perspectives – first the relationship is examined for sample encompassing 162 countries; and second – the evidence is...
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Simulation of Force Spectroscopy Experiments on Galacturonic Acid Oligomers
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Pounding force response spectrum under earthquake excitation
PublikacjaW artykule przedstawiono możliwość wykorzystania spektrum siły zderzenia jako zaproponowanego przez autora narzędzia pomocnego przy projektowaniu budynków narażonych na zderzenia podczas trzęsień ziemi. Przedstawione wykresy spektrów pokazały, iż właściwy dobór parametrów budowli, takich jak szerokość przerwy pomiędzy budynkami, okres drgań własnych konstrukcji, liczba tłumienia, masa, współczynnik ciągliwości, czy też przesunięcie...
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The protein folding problem: global optimization of force fields
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Decomposition of the wall force acting on the single bubble motion.
PublikacjaW referacie skupiono uwagę na rozkładzie siły hydrodynamicznej działającej na kulę (uproszczony model pęcherzyka) na kierunku prostopadłym do ścianki kanału. Pokazano stanowisko badawcze, omówiono procedurę pomiarową oraz zamiszczono przykładowe wyniki badań eksperymentalnych i modelowania matematycznego.
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Laser microscope profilometry of (Ce0.80Gd0.20)O1.90 surface before polishing
Dane BadawczeThe dataset consists of a surface image and topography obtained using a Keyence VK-X1000 confocal laser microscope for (Ce0.80Gd0.20)O1.90 substrate (CGO-20). Imaging was performed to determine surface roughness. The Keyence VK-X1000 uses a 404 nm laser to map and measure the surface of samples via confocal scanning or a wide-field variable focus. The...
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Advances in assessing the elemental composition of distilled spirits using atomic spectrometry
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The topography of Bi2VO5.5 ceramics prepared by melt-quenching technique was measured with confocal microscope
Dane BadawczeThe topography of Bi2VO5.5 ceramics prepared by melt-quenching technique was measured by confocal microscope.
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Extension of the force-matching method to coarse-grained models with axially symmetric sites to produce transferable force fields: Application to the UNRES model of proteins
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Multimodal Imaging Using Raman Spectroscopy and FTIR in a Single Analytical Instrument with a Microscope (Infrared Raman Microscopy AIRsight, Shimadzu): Opportunities and Applications
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Three series of measurement of spring force in relation to deflection of disc springs assembled in X configuration.
Dane BadawczeAttached data consist of three series of conducted measurement of disc springs package characteristic. The characteristic describes relation between spring force and deflection of the package. First column of each serie present axial deflection of the package, while second columns contain recorded spring force. Object of research contained six disc...
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Numerical modeling of force and contact networks in fragmented sea ice
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Potential of Mean Force of Hydrophobic Association: Dependence on Solute Size
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Shape and force control of cable structures with minimal actuators and actuation
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Simulations of impact force spectrum for earthquake-induced structural pounding.
PublikacjaCelem artykułu jest analiza możliwości zastosowanie tzw. spektrum siły zderzenia przy projektowaniu sąsiadujących ze sobą konstrukcji budowlanych na terenach sejsmicznych, w przypadku zbyt małej przerwy dylatacyjnej między nimi. W artykule przedstawiono wyniki symulacji numerycznych przeprowadzonych dla różnych wartości parametrów dynamicznych konstrukcji.
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Peak impact force for seismic retrofit of pounding-prone structures
PublikacjaCelem artykułu jest wykorzystanie dwuwymiarowych wykresów pokazujących wartość maksymalnej siły zderzenia (spektrów odpowiedzi) do wzmacniania odporności sejsmicznej budowli narażonych na zderzanie się podczas trzęsień ziemi. Wyniki analizy wskazują, iż wykresy takie mogą być bardzo przydatnym narzędziem przy podejmowaniu decyzji dotyczącej wyboru metody wzmacniania.
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Acoustic radiation force and streaming caused by non periodic acousticsource.
PublikacjaTeoria i obliczenia numeryczne przepływu rotacyjnego (''streamingu'') towarzyszącemu fali akustycznej w przepływach lepkich nieliniowych. Fala wywołująca może być nieokresowa: impulsowa lub paczka falowa itd. Przykład pojedynczego pulsu rozpatrywany. Ilustracje delikatnej struktury czasowej powstania fal rotacyjnych przedstawione na rysunkach.
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Measurement of transverse force with polarization-maintaining side-hole fibers.
PublikacjaW pracy badano możliwości wykorzystania przenoszących stan polaryzacji światłowodów typu Side-Hole do pomiaru siły działającej prostopadle do osi symetrii światłowodu. Na podstawie wyników modelowania stwierdzono, ze niektóre światłowody tego typu charakteryzują się większą czułością aniżeli standardowe światłowody przenoszące stan polaryzacji. W wyniku przeprowadzonych pomiarów potwierdzono wyniki modelowania.
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Synthetic jet actuator efficiency based on the reaction force measurement
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Recent achievements in element analysis of bee honeys by atomic and mass spectrometry methods
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Optimization of white light interferometric temperature sensor. Workshop on Atomic and Molecular Physics.
PublikacjaW artykule przedstawiono metodę optymalizacji parametrów niskokoherencyjnego interferometrycznego czujnika temperatury wykorzystującego miniaturowy interferometr Farby Perota, pracujący w modzie odbiciowym.
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Raman and infrared investigation of ferroelectric ceramics. IV Workshop on Atomic and Molecular Physics.
PublikacjaZastosowano spektroskopię absorbcyjną w podczerwieni i spektroskopię Ramana do badania ceramik ferroelektrycznych o kompozycji Ba(Ti1-xZrx)O3. Ceramiki te charakteryzują się możliwością przestrajania przenikalności elektrycznej za pomocą pola elektrycznego.
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State selective electron capture in the collision of S3+ ions in atomic hydrogen and helium.
PublikacjaZostało zaprezentowane teoretyczne podejście, uwzględniające obliczenia krytycznych adiabatycznych energii potencjalnych i dynamicznych sprzężeń pomiędzy nimi, do opisu procesu przechwytu elektronu przez jony siarki w zderzeniach z atomami wodoru i helu.
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Superconducting state in the atomic metallic hydrogen just above the pressure of the molecular dissociation
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Local atomic order in low Pt-content nanocatalysts investigated in situ by XAS
PublikacjaThe unique features of X-ray absorption spectroscopy allow investigations of nanosized catalysts for fuel cells under working conditions. We present the results of an experiment carried out on a low Pt content electrocatalyst supported by a mesoporous heteropolyacid salt and used at the cathode of a proton exchange membrane fuel cell (PEMFC). The analysis of the EXAFS signal at the Pt L3-edge indicates that upon operating the fuel...
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Evaluation of the potential of Microwave Plasma–Atomic Emission Spectrometry for trace elements leaching assessment from the concrete matrix with sewage sludge ash additives
PublikacjaThe management of ash generated during the thermal utilization of sewage sludge is a significant environmental problem requiring an effective technological solution. One alternative way to dispose of sewage sludge is to bind it in concrete as a substitute for part of the aggregate. The properties of the C-S-H phase enable effective immobilization of harmful substances that sewage sludge contains. The amount of individual compounds...
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Evaluation of mercury content in combustible tobacco products by employing cold vapor atomic absorption spectroscopy and considering the moisture content: a comprehensive study
PublikacjaPlants are mainly made up of water, which constitutes between 80 and 90% of their weight. Moisture factor comes across as one of the most important in tobacco products. Rapid determination of moisture content in tobacco products comes at neces- sity in any tobacco management plants (before and after production). Therefore, the concern has been raised in this study to evaluate the moisture content in four kinds of combustible tobacco...
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Laser microscope profilometry of SrTi0.3Fe0.7O3-d electrode surface after quickly drying
Dane BadawczeThe dataset consists of a surface image, topography and profilometry obtained using a Keyence VK-X1000 confocal laser microscope for SrTi0.3Fe0.7O3-d electrode (STF70). Imaging was performed to determine surface roughness. The Keyence VK-X1000 uses a 404 nm laser to map and measure the surface of samples via confocal scanning or a wide-field variable...
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TEM, EDS and optical microscope images of pristine and silica-coated bismuth oxide (Bi2O3) and gadolinium oxide (Gd2O3) structures.
Dane BadawczeData consists of raw TEM/EDS and optical microscope images of pristine and silica-coated bismuth oxide (Bi2O3) and gadolinium oxide (Gd2O3) structures. Additional TEM images and optical microscope images of silica shells were included.
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Advances In Atomic Molecular and Optical Physics
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JOURNAL OF THE ATOMIC ENERGY SOCIETY OF JAPAN
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Transactions of the Atomic Energy Society of Japan
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Jan Franz dr hab.
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Laser microscope profilometry of SrTi0.3Fe0.7O3-d electrode surface after slowly drying
Dane BadawczeThe dataset consists of a surface image, topography and profilometry obtained using a Keyence VK-X1000 confocal laser microscope for SrTi0.3Fe0.7O3-d electrode (STF70). Imaging was performed to determine surface roughness. The Keyence VK-X1000 uses a 404 nm laser to map and measure the surface of samples via confocal scanning or a wide-field variable...
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Laser microscope profilometry of (Ce0.80Gd0.20)O1.90 after ∼3 μm surface finish
Dane BadawczeThe dataset consists of a surface image and topography obtained using a Keyence VK-X1000 confocal laser microscope for (Ce0.80Gd0.20)O1.90 substrate (CGO-20). Imaging was performed to determine surface roughness. The Keyence VK-X1000 uses a 404 nm laser to map and measure the surface of samples via confocal scanning or a wide-field variable focus. The...
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Analytical calculations of scattering lengths for a class of long-range potentials of interest for atomic physics
PublikacjaWe derive two equivalent analytical expressions for an $l$th partial-wave scattering length $a_{l}$ for central potentials with long-range tails of the form % \begin{math} \displaystyle V(r)=-\frac{\hbar^{2}}{2m}\frac{Br^{n-4}}{(r^{n-2}+R^{n-2})^{2}} -\frac{\hbar^{2}}{2m}\frac{C}{r^{2}(r^{n-2}+R^{n-2})}, \end{math} % ($r\geqslant r_{s}$, $R>0$). % For $C=0$, this family of potentials reduces to the Lenz potentials discussed in...