Search results for: SPIN-CROSSOVER TRANSITION
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Structural motifs in the Cu(II), Mn(II) and Zn(II) complexes based on N,N,N-donor dipodal or N,N,N,N-donor tripodal ligands obtained in situ: Synthesis, crystal structures and xanthine oxidase inhibition properties
PublicationA series of four novel transition metal complexes, [Cu(NCS)2L1] (1), [Mn(NCS)2L1] (2) where L1 = bis(1-(3,5-dimethylpyrazolyl)methyl)amine, [Mn(NCS)2L2] (3) and [Zn(NCS)L2]2[Zn(NCS)4] (4) where L2 = tris(1-(3,5-dimethylpyrazolyl)methyl)amine, has been obtained in situ by a one-step, one-pot synthetic path starting from 1-hydroxymethyl-3,5-dimethylpyrazole (L). The isolated complexes were fully characterised by elemental analysis,...
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Modelling of saturated, subcooled and post-dryout flow boiling with the energy dissipation based semi-empirical model
PublicationA comprehensive semi-empirical model for saturated, subcooled and post dryout heat transfer is presented based on considerations of energy dissipation in the flow. The fundamental hypothesis in the model is the fact that heat transfer during flow boiling can be treated as a sum of two contributions constituting the total energy dissipation in the flow, namely the energy dissipation due to the shearing flow without the bubbles and...
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Monitoring of lysozyme thermal denaturation by volumetric measurements and nanoDSF technique in the presence of N-butylurea
PublicationThe results of thermal studies of denaturation of hen egg white lysozyme (HEWL) in water and an aqueous solution of N-butylurea (BU) are presented. High-precision densimetric measurements were used to characterize and analyze the changes of the specific volume, v, during temperature elevation. The temperature of the midpoint of protein denaturation was also determined by nanoDSF technique (differential scanning fluorimetry). The...
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Population-based case-control study of alpha 1-antitrypsin and SLC11A1 in Crohn's disease and ulcerative colitis.
PublicationBackground: Crohn’s disease (CD) and ulcerative colitis (UC) are chronic inflammatory diseases of the digestive tract. Genetic factors and an abnormal immune response to infections are suspected to be involved in inflammatory bowel diseases. Methods: In the present study 300 blood samples from CD patients (n 100), UC patients (n 100), and healthy controls (n 100) were taken from a population-based case-control study. PCR assays...
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The Urban Mentoring as a New Method of Participatory Urban Planning in Poland
PublicationTwenty-five years after the return of democracy and the beginning of basing the country's economy on neoliberal developmental paradigm, Poland adopted the regulations regarding management of urban policy, which had been wait for over a decade (accession to the EU). The National Urban Policy as well as the Act on revitalization have defined, in a modern manner, the field of cooperation between the local government, the administration...
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SEI Growth and Depth Profiling on ZFO Electrodes by Soft X-Ray Absorption Spectroscopy
PublicationZnFe2O4 (ZFO) Li-ion batteries (LIBs) represent a reliable, affordable, and safe energy storage technology for use in portable application. However, current LIB active materials (graphite, lithium/transition metal spinel or layered oxides, olivine structures) can store only limited energy since they rely on insertion storage based on solid-state host-guest interactions. Moreover, performances and durability of the cells are strongly...
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Effect of ground tire rubber on structural, mechanical and thermal properties of flexible polyurethane foams
PublicationFlexible polyurethane foams were modified with two kinds of ground tire rubber, untreated and thermo-mechanically reclaimed. A reclamation process was performed in auto-thermal conditions, which reduced the cost of the process and decreased the environmental impact of devulcanization (e.g., emission of gases). The reclamation process was carried out in a continuous manner using a co-rotating twin screw extruder. The foams were...
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Reduction of CO2 Emissions from Offshore Combined Cycle Diesel Engine-Steam Turbine Power Plant Powered by Alternative Fuels
PublicationDiverse forms of environmental pollution arise with the introduction of materials or energy that exert adverse effects on human health, climate patterns, ecosystems, and beyond. Rigorous emission regulations for gases resulting from fuel combustion are being enforced by the European Union and the International Maritime Organization (IMO), directed at maritime sectors to mitigate emissions of SOx, NOx, and CO2. The IMO envisions...
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INDUSTRIAL HERITAGE IN “SACRIFICE ZONES”. THE POTENTIAL OF BOCAMINA I & II THERMOELECTRIC IN CORONEL, CHILE
PublicationThis work aims to present the recovery potential of the Chilean Sacrifice Zones, urban areas affected by high amounts of pollution caused by industrial activities. It centers in the case of “Bocamina I & II”, two Thermoelectric based in the city of Coronel, southern Chile. A settlement historically related to the mining processes. These plants operated for decades supplying the national energy grid and are seen as both symbols...
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Electrochemical cobalt oxidation in chloride media
PublicationThe green transition, despite recent advances in cobalt-free battery technologies, is still highly dependent on the availability of critical cobalt-based materials. Consequently, there has been increasing interest towards the development of new methods that maximize critical metals recovery from industrial hydrometallurgical solutions. In the current study, direct anodic oxidation of cobalt species from cobalt chloride solutions...
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Advanced Bayesian study on inland navigational risk of remotely controlled autonomous ship
PublicationThe arise of autonomous ships has necessitated the development of new risk assessment techniques and methods. This study proposes a new framework for navigational risk assessment of remotely controlled Maritime Autonomous Surface Ships (MASS). This framework establishes a set of risk influencing factors affecting safety of navigation of a remotely-controlled MASS. Next, model parameters are defined based on the risk factors, and...
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Analysis of metals in air particles from Gdańsk and London with EDX/EDS detectors in electron microscope
PublicationElectron microscopy with energy dispersive X-ray spectrometry (EDX/EDS) is the example of non-destructive analytical method for surface elemental analysis, with a potential detection limit of 0.1-0.5 wt.% for most elements. A spatial resolution <10 nm can be achieved using this technique, which provides a basis for the generation of quantitative and qualitative elemental data for individual particles. In order to obtain quantitative...
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A Method for Determination and Compensation of a Cant Influence in a Track Centerline Identification Using GNSS Methods and Inertial Measurement
PublicationAt present, the problem of rail routes reconstruction in a global reference system is increasingly important. This issue is called Absolute Track Geometry, and its essence is the determination of the axis of railway tracks in the form of Cartesian coordinates of a global or local coordinate system. To obtain such a representation of the track centerline, the measurement methods are developed in many countries mostly by the using...
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Fe3–xInSnxO6 (x = 0, 0.25, or 0.5): A Family of Corundum Derivatives with Sn-Induced Polarization and Above Room Temperature Antiferromagnetic Ordering
PublicationThree new double corundum derivative compounds, Fe3−xInSnxO6 (x = 0. 0.25, or 0.5), were synthesized at high pressure and temperature (6 GPa and 1400− 1450 °C). All of the compounds order antiferromagnetically well above room temperature (TN = 608, 532, and 432 K for x = 0, 0.25, and 0.5, respectively). The x = 0 phase crystallizes as centrosymmetric R3̅c, but the inclusion of closed-shell d10 Sn4+ induces x = 0.25 and 0.5 to crystallize...
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CERTIFICATION SYSTEM AS A TOOL FOR IMPROVING THE SAFETY AND SUSTAINABILITY OF SCHOOL-RELATED TRAVELS
PublicationDespite the well-established physical, social, emotional, cognitive, and spatial benefits of active and autonomous school commuting of children and adolescents', many are driven by car. Pilot surveys and field research held in 2019 in 10 Gdansk primary schools confirmed this trend. The article presents a certification system for schools, commissioned by the City of Gdańsk, which is an element of a systemic solution shaping patterns...
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Insights into Stoichiometry Adjustments Governing the Performance of Flexible Foamed Polyurethane/Ground Tire Rubber Composites
PublicationPolyurethanes (PU) are widely applied in the industry due to their tunable performance adjusted by changes in the isocyanate index—stoichiometric balance between isocyanate and hydroxyl groups. This balance is affected by the incorporation of modifiers of fillers into the PU matrix and is especially crucial for PU foams due to the additional role of isocyanates—foaming of the material. Despite the awareness of the issue underlined...
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Modelling and computer animation of geodetic field work
Publication3D modelling of objects is a way of obtaining information, while the visualization of geospatial data is becoming a production task in the scope of surveying. Visualization of geospatial data provides effective tools for analysis information about the land surface, land cover, its features, properties etc. Computer animations, both 2D images and 3D are becoming additional, expected and clear form for presentation results of geodetic...
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Single-phase product obtained via crude glycerine depolymerisation of polyurethane elastomer: structure characterisation and rheological behaviour
PublicationPolyurethane recycling is a topic of growing interest due to the increasing amount of polyurethanewaste. The main purpose of polyurethane feedstock recycling is to recover the starting polyol, a valuable material. In thiswork, amethod of polyurethane thermo-chemical recycling, glycerolysisbymeansof crude glycerine, is proposed. Themaineffort is focusedonthe employment of crude glycerine without purification from biodiesel production...
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Designing of Track Axis Alignment with the Use of Satellite Measurements and Particle Swarm Optimization
PublicationDesigning of the track’s alignment is a key issue from the point of view of maintaining of proper geometries. The paper presents a design method for sections of railway line located in the horizontal arch. The method is adapted to the technique of mobile satellite measurements. The general principles of this measurement method have been described in the article. A project's solution has been presented using mathematical notation...
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Transparent nanocomposite coatings based on epoxy and layered double hydroxide: Nonisothermal cure kinetics and viscoelastic behavior assessments
PublicationLayered double hydroxide (LDH) has a particular place in clay family because of its flame retardant action. The nanoplatelet-like structure of LDH makes possible development of polymer composites with cationic or anionic nature structures in which macromolecules are positioned in between nanoplatelet galleries. In this work, neat epoxy and its transparent nanocomposite coatings with sodium dodecylbenzene sulfonate (SDBS)-modified...
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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 Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results
PublicationThe mechanisms of retro-Diels–Alder fragmentation of luteolin are studied theoretically using the Density Functional Theory method (B3LYP hybrid functional) together with the 6-311++G(d,p) basis set and supported by electrospray ionization tandem mass spectrometry (ESI-MS) results. The reaction paths leading to the formation of 1,3A and 1,3B fragment ions observed as the main spectral features in the ESI-MS spectrum are described...
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GTR/Thermoplastics Blends: How Do Interfacial Interactions Govern Processing and Physico-Mechanical Properties?
PublicationIn this work, GTR/thermoplastics blends (in ratio 50/50 and 75/25 wt.%) were prepared by melt-compounding in an internal mixer. During research, trans-polyoctenamer rubber (TOR), ethylene-vinyl acetate copolymer (EVA), ethylene-octene copolymer (EOC), and linear low-density polyethylene (LLDPE), were used in their thermoplastic phase. Microstructure and processing-performance property interrelationships of the studied materials...
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DC and AC Conductivity, Biosolubility and Thermal Properties of Mg-Doped Na2O–CaO–P2O5 Glasses
PublicationBioactive glasses have recently been extensively used to replace, regenerate, and repair hard tissues in the human body because of their ability to bond with living tissue. In this work, the effects of replacing Na2O with MgO on the electrical, biosolubility, and thermal properties of the target glass 10Na2O–60P2O5–30CaO (in mol%) were investigated. The electrical properties of the glasses were studied with the impedance spectroscopy...
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Hidden Champions of Poland
PublicationPoland is a country with a strong entrepreneurial spirit. The hidden champions’ performance has been closely related to political and economic changes: the fall of communism in 1989 and the transition from a centrally planned economy to a market economy. This led to the emergence of small private businesses focused on the domestic market. The accession to the European Union in 2004 created new perspectives for the hidden champions’...
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Narracje o świeżej traumie. Upamiętnianie ataków terrorystycznych w krajobrazie codziennym miast
PublicationRecent trauma Narratives: commemorating terrorist attacks in Everyday cityscape Contemporary city incidentally becomes a non-accidental target of acts violating the primary sense of security and safety. The fundamental assumptions about so- cial and interpersonal interactions that guarantee social life are severely disturbed. These events, primarily the ones related to terrorist attacks, leave in social memo- ry traces associated...
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Limiting distribution of the three-state semi-Markov model of technical state transitions of ship power plant machines and its applicability in operational decision-making.
PublicationThe article presents the three-state semi-Markov model of the process {W(t): t 0} of state transitions of a ship power plant machine, with the following interpretation of these states: s1 – state of full serviceability, s2 – state of partial serviceability, and s3 – state of unserviceability. These states are precisely defined for the ship main engine (ME). A hypothesis is proposed which explains the possibility of application...
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Post-Pyrolytic Carbon as a Phase Change Materials (PCMs) Carrier for Application in Building Materials
PublicationThis article covers new application for char as a carrier of phase-change materials (PCM) that could be used as an additive to building materials. Being composed of bio-char and PCM, the granulate successfully competes with more expensive commercial materials of this type, such as Micronal® PCM. As a PCM carrier, char that was obtained from the pyrolysis of chestnut fruit (Aesculus hippocastanum) with different absorbances of the...
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New pathways for functionalization of phosphorus ligands
PublicationThe presented dissertation consistsof two main partsand focuses on the synthesis and characterization of new low-valent phosphorus compounds. Thesestudies have already been fully described in three JCR-journals. The first partdescribes the utilization ofselectedphosphanylphosphinidene transition metal complexes as a source of diversified phosphorus ligands. For thispurposethree complexes...
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Rapid development of the photoresponse and oxygen evolution of TiO2 nanotubes sputtered with Cr thin films realized via laser annealing
PublicationRecently, earth abundant transition metal oxides have gained particular attention as potential catalyst candidates due to their availability and low-cost comparing to substrates containing precious Pt or Au species. Herein, we present characterization of morphology, structure and electrochemical properties of pulsed 532 nm laser treated TiO2 nanotubes (NT) sputtered by the thin film of chromium. Scanning electron microscopy enables...
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Influence of Surface-Modified Montmorillonite Clays on the Properties of Elastomeric Thin Layer Nanocomposites
PublicationIn recent years, polyurethane nanocomposites have attracted more attention due to the massive demand for materials with increasingly exceptional mechanical, optical, electrical, and thermal properties. As nanofillers have a high surface area, the interaction between the nanofiller and the polymer matrix is an essential issue for these materials. The main aim of this study is to validate the impact of the montmorillonite nanofiller...
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Modelling hydraulic and capillary-driven two-phase fluid flow in unsaturated concretes at the meso-scale with a unique coupled DEM-CFD technique
PublicationThe goal of the research was to demonstrate the impact of thin porous interfacial transition zones (ITZs) between aggregates and cement matrix on fluid flow in unsaturated concrete caused by hydraulic/capillary pressure. To demonstrate this impact, a novel coupled approach to simulate the two-phase (water and moist air) flow of hydraulically and capillary-driven fluid in unsaturated concrete was developed. By merging the discrete...
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Analiza kohortowa przyczyn bierności zawodowej osób w wieku 45+
PublicationZmiany demograficzne następujące w ostatnich latach w krajach rozwiniętych stawiają nowe wyzwania przed badaczami i praktykami rynku pracy. Jedną z najbardziej zauważalnych konsekwencji „starzenia społeczeństw” jest wydłużenie czasu bierności zawodowej. Jednocześnie w wolniejszym tempie występuje proces wydłużenia czasu aktywności zawodowej. Z punktu widzenia stabilności systemu emerytalnego istotne jest zatem określenie przyczyn...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublicationWe 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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Heat treatment effect on Eu3+ doped TeO2-BaO-Bi2O3 glass systems with Ag nanoparticles.
PublicationGlass systems of 73TeO2-4BaO-3Bi2O3-2Eu2O3-xAg ( in molar ratio where x= 0, 1, 2, 3) compositions have been successfully synthesized. Silver nanoparticles were obtained with the employment of heat treatment (HT) procedure executed at 350 °C. Glass transition temperatures of different compositions have been determined through DSC measurements. XRD measurement results presented characteristic amorphous halo indicating lack of long...
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Role of the disulfide bond in stabilizing and folding of the fimbrial protein DraE from uropathogenic Escherichia coli
PublicationDr fimbriae are homopolymeric adhesive organelles of uropathogenic Escherichia coli composed of DraE subunits, responsible for the attachment to host cells. These structures are characterized by enormously high stability resulting from the structural properties of an Ig-like fold of DraE. One feature of DraE and other fimbrial subunits that makes them peculiar among Ig-like domain-containing proteins is a conserved disulfide bond...
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Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes
PublicationWe present a series of amino- and aryl(diphosphino)boranes R2PB(R’’)PR’2, where R2P, R’2P = tBu2P, tBuPhP, Ph2P, Cy2P, and R’’ = iPr2N, Ph, which were obtained via the metathesis reaction of iPr2NBBr2 or PhBBr2 with selected lithium phosphides. The structures of isolated diphosphinoboranes were characterized in the solid state and in solution by means of X-ray diffraction and NMR spectroscopy, respectively. The utility of these...
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CSR knowledge and perception in Polish SMEs: Evidence from the region of Pomerania.
PublicationThe concept of CSR was created in the second half of 20th century mostly with respect to large businesses, mostly multinational corporations. Alongside with the renaissance of small and medium-sized enterprises (SMEs), which took place in the seventh decade of 20th centu-ry, we can observe a constant increase in the popularity of research into CSR practices among SMEs. This topic still remains under-researched, especially in transition...
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Financial Consequences of the Introduction of the Fit For 55 on the Example of Poland
PublicationIn Europe and in Poland, there is a growing conviction that climate action is a necessity. When creating long-term strategies or making current decisions, companies are increasingly taking into account issues related to sustainable development and reducing CO2 emissions. Following the signing of the Paris Agreement in 2015, countries around the world pledged to reduce greenhouse gas emissions by 2050 so that the average temperature...
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Screening stability, thermochemistry, and chemical kinetics of 3-hydroxybutanoic acid as a bifunctional biodiesel additive
PublicationThe thermo-kinetic aspects of 3-hydroxybutyric acid (3-HBA) pyrolysis in the gas phase were investigated using density functional theory (DFT), specifically the M06-2X theoretical level in conjunction with the cc-pVTZ basis set. The obtained data were compared with benchmark CBS-QB3 results. The degradation mechanism was divided into 16 pathways, comprising 6 complex fissions and 10 barrierless reactions. Energy profiles were calculated...
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Towards sustainable catalyst-free biomass-based polyurethane-wood composites (PU-WC): From valorization and liquefaction to future generation of biocomposites
PublicationA substantial aspect of materials engineering lies in the responsible process of designing polymer-based materials. Due to environmental pollution, excessive consumption of natural resources, and increasing environmental awareness of society, there is a massive need for polyurethane (PU) materials with reduced environmental impact. To date, research on catalyst-free polyurethane-wood composites (PU-WC) has demonstrated a huge potential...
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Debonding of coin-shaped osseointegrated implants: Coupling of experimental and numerical approaches
PublicationWhile cementless implants are now widely used clinically, implant debonding still occur and is difficult to anticipate. Assessing the biomechanical strength of the bone–implant interface can help improving the understanding of osseointegration phenomena and thus preventing surgical failures. A dedicated and standardized implant model was considered. The samples were tested using a mode III cleavage device to assess the mechanical...
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Scaling scrum with a customized nexus framework: A report from a joint industry‐academia research project
Publicationespite a wide range of scaling frameworks available, large-scale agile transformations are not straightforward undertakings. Few organizations have structures in place that fit the predefined workflows – while once one applies an off-the-shelf framework outside of its prescribed process, guidance quickly runs out. In this paper, we demonstrate how to instantiate a method configuration process using a lightweight experimental approach...
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Two-photon double ionization of atoms in attosecond x-ray radiation fields
PublicationWe consider two-photon double ionization of helium with 100, 200, and 400 eV excess energy for the two ejected electrons, corresponding to photon energies of 89.5, 139.5, and 239.5 eV, respectively. We focus on the case of ultrashort pulses (two oscillations of the field) and develop an approach to calculate the two-photon transition matrix elements within the lowest order of the time-dependent perturbation theory. One of the...
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THE APPLICATION EFFECTS OF CONTINUOUS SATELLITE MEASUREMENTS OF RAILWAY LINES
PublicationThe paper presents results of satel lite surveying of the railway's rout es, which have been conducted just after starting in Poland (in 2008) the Active Geodesy Network ASG-EU POS. Afterwards it was possible to effectively utilize the GNSS survey ing results for the inventory of the (exploring) railways in service. Already at the beginning of 2009, the research team from Gdansk University of Technology and Naval Academy in Gdynia,...
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Structure redetermination, transport and thermal properties of the YNi3Al9 compound
PublicationSingle crystals of completely ordered variant of the YNi3Al9 compound were grown by self-flux method with excess of aluminum. The crystal structure of the title compound was redetermined from single crystal X-ray diffraction data. The structure adopts ErNi3Al9 type, space group R32, parameters of the unit cell a = 7.2838(2) Å, c = 27.4004(8) Å. The growth of relatively large single crystals of the YNi3Al9 compound, having completely...
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Properties of Oxygen Vacancy and Hydrogen Interstitial Defects in Strontium Titanate: DFT + Ud,p Calculations
PublicationThis work presents extensive theoretical studies focused on the mixed ion-electron transport in cubic strontium titanate (STO). A new approach to the description of this difficult system was developed within the framework of linear-scaling Kohn–Sham density functional theory, as realized in the ONETEP program. The description we present is free of any empirical parameters and relies on the Hubbard U and Hund’s J corrections applied...
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Intense and stable room-temperature photoluminescence from nanoporous vanadium oxide formed by in-ambient degradation of VI3 crystals
PublicationVanadium oxides have attracted research interest because their optoelectronic properties make them optically active with room-temperature photoluminescence (PL) emission, which, however, is not sufficiently intense for real applications. For this reason, many nanostructured vanadium oxides are currently fabricated through several precursors and different treatments to improve the PL efficiency and enhance the PL intensity. Herein,...
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Release of selected chemical elements from shale drill cuttings to aqueous solutions of different pH
PublicationThe effect of pH changes on leachability of light and heavy metals from shale drill cuttings generated from unconventional shale gas production was investigated. Cuttings, being the primary byproduct generated from drilling operations, belong to the potentially hazardous type of wastes due to presence of heavy and radioactive elements and remains of drilling fluid. In this regard, assessment of potentially dangerous components...
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Effect of high loading of titanium dioxide particles on the morphology and selected properties of natural rubber-based composites
PublicationThe aim of this work was to prepare and characterize the natural rubber vulcanizates contained different amounts of titanium dioxide particles. At first rubber mixture was prepared using a laboratory two-roll mill and then samples were vulcanized in a hydraulic press. The formulation of rubber mixture and rubber-processing technique is based on our earlier investigations. Materials were obtained at the different titanium dioxide...