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Search results for: electron-potential scattering
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Effect of different crystalline structures on W/O and O/W/O wax emulsion stability
PublicationtThe possibility of emulsion stabilization using mineral and vegetable wax particles only (without sur-factant) was investigated. Mineral waxes, paraffin wax and ceresin, and a vegetable wax, carnauba wax,were used. The content of the wax particles and the water to oil proportion were found crucial for thestability of all emulsions. Some emulsions were also produced with a liquid wax (i.e. jojoba oil). Themultiple light scattering...
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Advanced polarization sensitive analysis in optical coherence tomography
PublicationThe optical coherence tomography (OCT) is an optical imaging method, which is widely applied in variety applications. This technology is used to cross-sectional or surface imaging with high resolution in non-contact and non-destructive way. OCT is very useful in medical applications like ophthalmology, dermatology or dentistry, as well as beyond biomedical fields like stress mapping in polymers or protective coatings defects detection....
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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment
PublicationThe UNited RESidue (UNRES) force field was tested in the 14th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP14), in which larger oligomeric and multimeric targets were present compared to previous editions. Three prediction modes were tested (i) ab initio (the UNRES group), (ii) contact-assisted (the UNRES- contact group), and (iii) template-assisted (the UNRES-template...
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Intramolecular Proton Transfer in the Radical Anion of Cytidine Monophosphate Sheds Light on the Sensitivities of Dry vs Wet DNA to Electron Attachment-Induced Damage
PublicationSingle-strand breaks (SSBs) induced via electron attachment were previously observed in dry DNA under ultrahigh vacuum (UHV), while hydrated electrons were found not able to induce this DNA damage in an aqueous solution. To explain these findings, crossed electron-molecular beam (CEMB) and anion photoelectron spectroscopy (aPES) experiments coupled to density functional theory (DFT) modeling were used to demonstrate the fundamental...
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Interatomic potential suitable for the modeling of penta-graphene: Molecular statics/molecular dynamics studies
PublicationWe test the potentials available for elemental carbon, with the scope to choose the potential suitable for the modeling of penta-graphene, the latest two dimensional carbon allotrope. By using molecular statics and molecular dynamics simulations we show that there is only one potential e namely the Tersoff-type potential proposed by Erhart and Albe in 2005 e which is able to correctly describe all the important features of penta-graphene....
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Advanced Potential Energy Surfaces for Molecular Simulation
PublicationAdvanced potential energy surfaces are defined as theoretical models that explicitly include many-body effects that transcend the standard fixed-charge, pairwise-additive paradigm typically used in molecular simulation. However, several factors relating to their software implementation have precluded their widespread use in condensed-phase simulations: the computational cost of the theoretical models, a paucity of approximate models...
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Electron magnetic resonance study of the Ni47Co3Mn35.5In14.5 ribbons
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Free electron laser infrastructure in Europe 2012
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Dissociative electron attachment of furan, tetrahydrofuran, and fructose
PublicationPrzeprowadzono badania wychwytu dysocjacyjnego elektronów w cząsteczkach furanu, tetrahydrofuranu i fruktozy w przedziale energii 0-14eV. Stwierdzono, że w przypadku wychwytu elektronów o energiach poniżej progu wzbudzenia (< 3eV), jedynie fruktoza jest podatna na rozerwanie pierścienia cukrowego. W cząsteczkach furanu i tetrahydrofuranu struktury rezonansowe odpowiadające fragmentom pierścienia pojawiają się dla energii elektronów...
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Electron collisions with boron trichloride (BCl3) molecules
PublicationPrzedstawiono wyniki pomiarów absolutnych, całkowitych przekrojów czynnych na rozpraszanie elektronów na drobinach BCl3. Pomiary przeprowadzono w zakresie energii 0.3 - 370eV. Otrzymane wyniki porównano z dostępnymi cząstkowymi przekrojami czynnymi (tj. sprężystym, jonizacyjnym. Przedyskutowano rolę peryferyjnych atomów molekuły, zestawiając wyniki pomiarów całkowitych przekrojów czynnych dla drobin BCl3 i BF3.
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Dissociative excitation of carbon disulfide by electron impact.
PublicationZbadano wzbudzenie dysocjacyjne cząsteczek dwusiarczku węgla w zderzeniach z elektronami prowadzące do utworzenia rodników CS w stanie wzbudzonym A1Pi.Wyznaczono energię progu wzbudzenia dysocjacyjnego oraz obsadzenie poziomów oscylacyjnych v=0 i 1 rodnika CS.
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Coherent electron transport in hydrocarbon molecular devices
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Electron collisions with trifluorides: BF3 and PF3 molecules.
PublicationArtykuł prezentuje zmierzone metodą transmisyjną całkowite przekroje czynne na rozpraszanie elektronów na płaskich drobinach BF3 i piramidalnych cząstkach PF3 w zakresie energii 0.5-370eV. Otrzymane wyniki zostały porównane z dostępnymi cząstkowymi przekrojami czynnymi (tj. sprężystym, jonizacyjnym). Zaprezentowane całkowite przekroje czynne porównano także ze sobą aby zbadać wpływ geometrii drobiny na wartość i kształt całkowitego...
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Electron collisions with nitrogen trifluoride (NF3) molecules.
PublicationArtykuł prezentuje zmierzone całkowite przekroje czynne oraz obliczone sprężyste i jonizacyjne przekroje czynne na rozpraszanie elektronów na drobinach fluorku azotu (NF3) dla niskich i średnich energii zderzenia. Wyniki porównano z dostępnymi cząstkowymi przekrojami czynnymi. W celu zbadania wpływu podstawienia atomów fluoru w miejsce atomów wodoru porównano całkowite przekroje czynne dla NF3 i NH3 (efekt fluorowania).
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A Theoretical Model for Indirect Dissociative Electron Attachment
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An excess electron binding to the `purple' zwitterion quinonoid
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The Eliashberg study of the electron–phonon superconductivity inYSn3compound
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Non-adiabatic superconductivity in the electron-doped graphene
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Electron collision with sulfuryl chloride (SO2Cl2) molecule
PublicationStosując liniową metodę transmisyjną zmierzono całkowite przekroje czynne (TCS) na zderzenie elektronów z drobinami SO2Cl2 w zakresie energii 0.5-150 eV. Stwierdzono obecność głębokiego minimum przy ok. 1.8 eV i szerokiego maksimum w pobliżu 9.5 eV. Przeprowadzono porównanie z dostępnymi wynikami dla innych związków zawierających grupę sulfonową.
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Electron collision with B(CD3)3 molecules
PublicationArtykuł prezentuje całkowite przekroje czynne na rozpraszanie elektronów na drobinach B(CD3)3 zmierzone dla niskich i średnich energii zderzenia. Wyniki porównano z elastycznymi i jonizacyjnymi przekrojami czynnymi obliczonymi dla drobiny B(CD3)3 dla średnich energii zderzenia. Porównano i przedyskutowano przekroje czynne dla drobin zawierających bor.
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A review on electrospun membranes for potential air filtration application
PublicationAir pollution is one of the major environmental concerns in most highly populated cities, which is typically caused by particulate (PM2.5 and PM0.1) or gaseous pollutants that can be removed using electrospun membranes. These membranes are characterized by different features in terms of uniform and controllable structure, tuneable porosity, and high surface area, where their separation efficiency strongly depends on their properties....
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Lattice dynamics of HgSe: Neutron scattering measurements andab initiostudies
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A novel approach to bottom scattering using a narrow acoustic beam.
PublicationPrzedstawiono model opisujący w prosty sposób rozpraszanie sygnału akustycznego na dnie morskim jako filtr liniowy z odpowiedzią impulsową o zmieniającej się w czasie chwilowej dominującej częstotliwości. Przedyskutowano pasujący do tego modelu przypadek zbioru punktowych rozpraszaczy równomiernie rozmieszczonych na powierzchni dna, w tym wpływ takich parametrów jak głębokość oraz odległość pomiędzy rozpraszaczami.
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Eigenchannel method for nonrelativistic scattering from zero-range potentials.
PublicationPrzedstawiono sformułowanie metody kanałów własnych dla rozpraszania cząstek Schrodingera na układzie potencjałów zerowego promienia. Jako przykład, rozważono rozpraszanie fali płaskiej na czterech identycznych potencjałach, tworzących strukturę o symetrii tetraedrycznej.
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Zero-range potentials in multi-channel diatomic molecule scattering
PublicationZagadnienie o rozpraszaniu elektronów na molekułach rozwiązuje się w sposób jawny w modelu potencjałów o zerowym promieniu. Uwzględniając stany wzbudzone wprowadzamy potencjał macierzowy. Dla przykładu e+H_2 porównujemy wyniki obliczeń przekrojów czynnych z innymi (ab initio) oraz z doświadczeniem.
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Differential cross section minima in elastic scattering of electrons fromzinc
PublicationZostały obliczone położenia minimów różniczkowych przekrojów czynnych na sprężyste rozpraszanie elektronów na atomach cynku. Metoda obliczeniowa oparta jest na równaniach relatywistycznej mechaniki kwantowej. Wyniki obliczeń zostały porównane z ostatnimi danymi doświadczalnymi grupy z Uniwersytetu Belgradzkiego.
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Scattering in junction by posts consisting of a segment of conducting cy linder.
PublicationWykorzystując zmodyfikowaną procedurę iteracyjną i metodę dopasowania rodzajów opracowano teorię rozpraszania fali elektromagnetycznej w złączu falowodowym na obiektach będących wycinkami metalowego cylindra. W wyniku analizy uzyskano wielorodzajową macierz rozproszenia złącza falowodowego zawierającego opisywane elementy. Zarówno zmiana położenia jak i obrót elementu w złączu powoduje zmianę jego parametrów elektrycznych....
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Optical time of flight spectroscopy for highly scattering materials measurements.
PublicationW artykule omówiono możliwości wykorzystania optycznej spektroskopii czasu przelotu w wyznaczaniu podstawowych parametrów optycznych materiałów silnie rozpraszających światło. Wykorzystano tu metodę Monte Carlo i metodę dyfuzji.
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Theory of scattering by an array of lossy dielectric, ferrite and conducting cylinders.
PublicationOpisano metodę analizy umożliwiającą określenie zastępczego pola rozproszonego od dowolnej konfiguracji prętów dielektrycznych, ferrytowych lub metalowych na zewnętrznym obszarze cylindrycznym w celu połączenia go z wybranym pobudzeniem i znalezienia macierzy rozproszenia układu. Prezentowane podejście znajduje zastosowanie w analizie struktur zamkniętych i określanie macierzy rozpraszania złączy falowodowych jak i otwartych...
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Scattering by an array of conducting, lossy dielectric, ferrite and pseudochiral cylinders.
PublicationOpisano metodę analizy rozpraszania fali elektromagnetycznej w systemach zawierających cylindryczne pręty dielektryczne, metalowe, ferytowe i pseudochiralne i wykorzystanie w/w metody w problemach zamkniętych i znajdowanie macierzy rozpraszania wieloportowych złączy falowodowych oraz w problemach otwartych i badanie charakterystyk rozpraszania zarówno w strefie dalekiej jaki bliskiej.
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Critical minima in elastic scattering of electrons from Ar and Zn.
PublicationDokonano obliczeń różniczkowych przekrojów czynnych na sprężyste rozpraszanie elektronów na atomach argonu i cynku. Otrzymane minimum krytyczne z tych przekrojów porównano z niedawno otrzymanymi danymi doświadczalnymi.
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Oblique Plane Wave Scattering by an Array of Dielectric and Metamaterial Cylinders.
PublicationBadanie wpływu ujemnej przenikalności elektrycznej i magnetycznej na parametry rozproszenia fali elektromagnetycznej dla cylindrów wykonanych z dielektryka i metamateriału. Wykorzystanie zmodyfikowanej procedury iteracyjnej i metody dopasowania rodzajów do analizy ukośnego padania fali elektromagnetycznej na zbiór równoległych cylindrów.
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Scattering of the plane wave from a periodically perforated dielectric slab
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Domain Reduction in Hybrid Technique for Electromagnetic Wave Scattering Problems
PublicationThis paper proposes a combination of the field matching technique, finite element method and generalized impedance matrix, the main idea of which is to reduce the computational domain by surrounding a scatterer with the smallest convex shape and applying the field matching technique. This approach can be applied for arbitrary shaped scatterers and types of materials and allows for the reduction of the computational domain. In order...
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Computer-Aided Calculations of Earth Potential Rise in High Voltage Overhead Lines
PublicationHigh voltage overhead power lines with earth wires comprise towers made of conductive material. Some towers are in locations where people can be expected to be either for a long time or for a short time but very frequently. Evaluation of shock hazard near such towers requires calculation of line-to-earth short-circuit current, earth current and especially earth potential rise. Number of towers in high voltage power lines can exceed...
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Application of the neural networks for developing new parametrization of the Tersoff potential for carbon
PublicationPenta-graphene (PG) is a 2D carbon allotrope composed of a layer of pentagons having sp2- and sp3-bonded carbon atoms. A study carried out in 2018 has shown that the parameterization of the Tersoff potential proposed in 2005 by Ehrhart and Able (T05 potential) performs better than other potentials available for carbon, being able to reproduce structural and mechanical properties of the PG. In this work, we tried to improve the...
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Unveiling the Pool of Metallophores in Native Environments and Correlation with Their Potential Producers
PublicationFor many organisms, metallophores are essential biogenic ligands that ensure metal scavenging and acquisition from their environment. Their identification is challenging in highly organic matter rich environments like peatlands due to low solubilization and metal scarcity and high matrix complexity. In contrast to common approaches based on sample modification by spiking of metal isotope tags, we have developed a two-dimensional...
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Dimethyl ether (DME) as potential environmental friendly fuel
PublicationIn recent years, there has been a growing interest in replacing petroleum fuels with so-called second generation environmental friendly fuels. Compared to traditional petroleum fuels dimethyl ether (DME) could be used as a clean high-efficiency compression ignition fuel with reduced particulate matter (PM), sulfur oxides (SOx), hydrocarbons (HC), carbon monoxide (CO) as well as combustion noise. Compared to some of the other leading...
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Unravelling the role of electron–hole pair spin in exciton dissociation in squaraine-based organic solar cells by magneto-photocurrent measurements
PublicationA high absorption coefficient and narrow absorption bands in squaraine (SQ) dyes have resulted in rapidly growing interest in them as a donor material in photovoltaic devices. The exciton dissociation process in organic systems proceeds via a multistep mechanism where the electron–hole pairs (charge transfer states) involved in the current generation process determine the recombination losses and subsequently limit the overall...
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Whole-genome sequencing and antimicrobial potential of bacteria isolated from Polish honey
PublicationThe aim of this study was the whole-genome analysis and assessment of the antimicrobial potential of bacterial isolates from honey harvested in one geographical location—the north of Poland. In total, 132 strains were derived from three honey samples, and the antimicrobial activity of CFAM (cell-free after-culture medium) was used as a criterion for strain selection and detailed genomic investigation. Two of the tested isolates...
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Convenient Synthesis of Functionalized Unsymmetrical Vinyl Disulfides and Their Inverse Electron-Demand Hetero-Diels-Alder Reaction
PublicationThe simple, convenient, and efficient methods for the preparation of unsymmetrical vinyl disulfides with additional functional groups under mild conditions with moderate to high yields were designed. The developed methods include the reaction of S-vinyl phosphorodithioate with thiotosylates or S-vinyl thiotosylate with thiols. The designed methods allow for the synthesis of unsymmetrical vinyl disulfides with additional functionalities...
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Hydrogen Storage in Geological Formations—The Potential of Salt Caverns
PublicationHydrogen-based technologies are among the most promising solutions to fulfill the ze- ro-emission scenario and ensure the energy independence of many countries. Hydrogen is considered a green energy carrier, which can be utilized in the energy, transport, and chemical sectors. However, efficient and safe large-scale hydrogen storage is still challenging. The most frequently used hydrogen storage solutions in industry, i.e., compression...
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The potential of Web-GIS and geovisual analytics in the context of marine cadastre
PublicationThe importance of the marine environment to human existence makes it imperative that information models represent the multidimensional nature of reality as closely as possible in order to facilitate good governance. Information regarding jurisdiction, as well as the effects of formal law and community interests on the marine environment (e.g. nature and spatial extents as well as rights, responsibilities, restrictions etc.) would...
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Stable Field Electron Emission and Plasma Illumination from Boron and Nitrogen Co‐Doped Edge‐Rich Diamond‐Enhanced Carbon Nanowalls
PublicationSuperior field electron emission (FEE) characteristics are achieved in edge-rich diamond-enhanced carbon nanowalls (D-ECNWs) grown in a single-step chemical vapor deposition process co-doped with boron and nitrogen. The structure consists of sharp, highly conductive graphene edges supplied by a solid, diamond-rich bottom. The Raman and transmission electron microscopy studies reveal a hybrid nature of sp3-diamond and sp2-graphene...
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Peptidoglycan hydrolases - potential weapons against Staphylococcus aureus
PublicationBacteria of the genus Staphylococcus are common pathogens responsible for a broad spectrum of human and animal infections and belong to most important etiological factors causing food poisoning. Because of rapid increase in prevalence of isolation of staphylococci resistant to many antibiotics, there is an urgent need for development of new alternative chemotherapeutics. A number of studies have recently demonstrated the strong...
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Probiotic potential of Bacillus Isolates from Polish Bee Pollen and Bee Bread
PublicationThe main goal of this study was the evaluation of the probiotic potential of 10 Bacillus spp. strains isolated from 5 bee bread and 3 bee pollen samples. The antagonistic interaction with Staphylococcus aureus and Escherichia coli was a primary criterion for the preliminary selection of the isolates. Three out of ten strains—PY2.3 (isolated from pollen), BP20.15 and BB10.1 (both isolated from bee bread)—were found to be possible...
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Potential Impact of Waterway Development on Cultural Landscape Values: The Case of the Lower Vistula
PublicationThe northern (“lower”) section of the Vistula is on the route of two international waterways—E70 and E40. However, the current condition of the riverbed prevents larger vessels from passing through. Plans for the waterway date back to the beginning of the 20th century. Following Poland’s ratification of the European Agreement on Main Inland Waterways of International Importance in 2017, the general concept has been transformed...
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Assessment of the Current Potential of Hydropower for Water Damming in Poland in the Context of Energy Transformation
PublicationThe present paper indicates that hydropower, including small hydropower plants (SHPs), may play a very important role in Poland’s energy transformation in the near future. The development of SHPs may also increase water resources in the steppe Poland. Additionally, the aim of the present research is to conduct the PEST analysis of SHPs in Poland, taking into account the SHP potential. For the first time, maps showing the power...
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The potential of imogolite nanotubes as (co-)photocatalysts: a linear-scaling density functional theory study
PublicationWe report a linear-scaling density functional theory (DFT) study of the structure, wall-polarization absolute band-alignment and optical absorption of several, recently synthesized, open-ended imogolite (Imo) nanotubes (NTs), namely single-walled (SW) aluminosilicate (AlSi), SW aluminogermanate (AlGe), SW methylated aluminosilicate (AlSi-Me), and double-walled (DW) AlGe NTs. Simulations with three different semi-local and dispersion-corrected...
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Proton-Electron Hole Interactions in Sr(Ti,Fe)O3−δ Mixed-Conducting Perovskites
PublicationOxides in which total electrical conductivity is determined by the partial conductivities of three types of charge carriers i.e. holes/ electrons, oxygen ions, and protons are key components of well-functioning proton ceramic fuel cells. Apart from electrochemical properties also easily modified microstructure is an important feature of the electrodes. In the paper, a group of SrTi1−xFexO3−δ (STF, x = 0.2–0.8) perovskites prepared...