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Wyniki wyszukiwania dla: BAND STRUCTURE CALCULATIONS
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FE calculations of a deterministic and statistical size effect in concrete under bending within stochastic elasto-plasticity and non-local softening
PublikacjaW artykule przedstawiony wyniki obliczeń MES deterministycznego i statystycznego efektu skali w belkach betonowych podczas zginania. Zastosowano model w ramach stochastycznej sprężysto-plastyczności i nielokalnego osłabienia. Belki były geometrycznie podobne. Wyniki porównano z modelem efektu skali Bazanta.
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Study on the Structure-Property Dependences of Rigid PUR-PIR Foams Obtained from Marine Biomass-Based Biopolyol
PublikacjaThe paper describes the preparation and characterization of rigid polyurethane-polyisocyanurate (PUR-PIR) foams obtained with biopolyol synthesized in the process of liquefaction of biomass from the Baltic Sea. The obtained foams differed in the content of biopolyol in polyol mixture (0–30 wt%) and the isocyanate index (IISO = 200, 250, and 300). The prepared foams were characterized in terms of processing parameters (processing...
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Visible light photocatalytic activity of ionic liquid-TiO2 spheres: effect of the ionic liquid's anion structure
PublikacjaThe effect of the ionic liquid’s (IL) anion type ([BIMIM][X], where X= [Br], [PF6] or [OctSO4]) and content on the morphology, surface properties and photoactivity of TiO2 obtained by solvothermal method has been systematically investigated. Our results revealed that the presence of [Br], [OctSO4] anions favors formation of anatase phase, while presence of [PF6] anion causes formation of mixture of anatase and Ti(OH)PO4 phases....
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Structure of the register of immovable monuments in terms of the type of architectural monuments by voivodeship - comparison of 2003 and 2024
Dane BadawczeThe following dataset compares the structure of the register of immovable monuments in Poland regarding the type of architectural monuments by voivodeship for 2003 and 2024. The dataset has been compiled based on the data in the Report analysing the state of immovable monuments (the report was prepared in 2004 based on data collected by provincial conservators...
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Effect of hydroxylated soybean oil and bio-based propanediol on the structure and thermal properties of synthesized bio-polyurethanes
PublikacjaThe aim of this work was to obtain bio-polyurethanes using synthetic compounds and bio-components, i.e. bio-glycols. Bio-polyurethanes were prepared by means of the prepolymer method. Prepolymers were synthesized from 4,4′-diphenylmethane diisocyanate (MDI) and a polyol mixture containing 75% by weight of commercial polyether and 25% by weight of hydroxylated soybean oils (H2 or H3), the latter being obtained in the reaction with...
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Effect of chemical structure on complexation efficiency of aromatic drugs with cyclodextrins: The example of dibenzazepine derivatives
PublikacjaIt is widely believed that the hydrophobic effect governs the binding of guest molecules to cyclodextrins (CDs). However, it is also known that high hydrophobicity of guest molecules does not always translate to the formation of stable inclusion complexes with CDs. Indeed, a plethora of other factors can play a role in the efficiency of guest–CD interactions, rendering structure-based prediction of the complexation efficiency with...
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Structure of the register of immovable monuments by date of individual objects – comparison of 2017 and 2024
Dane BadawczeThe register of monuments is the primary form of monument protection. The register for monuments in the voivodeship is kept by the voivodeship conservator of monuments in the form of separate books for immovable (book A), movable (book B), and archaeological (book C) monuments. Entries in the register of monuments are made upon application by the owner...
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Fe local structure in Pt-free nitrogen-modified carbon based electrocatalysts: XAFS study
PublikacjaThe paper presents a new results on the bonding environment (coordination number and geometry) and on oxidation states of Fe in nitrogen-modified Fe/C composites used as Pt-free catalysts for oxygen reduction in Direct Hydrogen Fuel Cells. Starting from glucose or fructose, two catalysts displaying different electrochemical performance were prepared and studied in the form of pristine powder and thin catalytic layer of electrode...
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Green thermoplastic poly(ether-urethane)s – synthesis, chemical structure and selected properties investigation
PublikacjaThis work aimed to characterize the effect of the monomers chemical structure on the selected properties of the green thermoplastic poly(ether-urethane)s. During synthesis two types of polyether biopolyols, 4,4′-diphenylmethane diisocyanate and bio-based 1,3-propanediol were employed. Materials were synthesized with the use of two step method and two different prepolymers, which were mixed together in equimolar quantities. Obtained...
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Prediction of protein structure with the coarse-grained UNRES force field assisted by small X-ray scattering data and knowledge-based information
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From Structure to Luminescent Properties of B2O3-Bi2O3-SrF2 Glass and Glass-Ceramics Doped with Eu3+ Ions
PublikacjaGlass-ceramics with the composition B2O3 -Bi2O3 -SrF2 were synthesized by the conventional melt-quenching technique and subsequent crystallization of the parental glasses. The temperature at which the ceramization was carried out was selected based on differential scanning calorimetry (DSC) analysis. The structure of the studied materials and the formation of SrF2 nanocrystals were confirmed by the Fourier-transform infrared spectroscopy...
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IFAC Conference on System Structure and Control
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Charge-assisted N(+)–H···(−)S hydrogen bonds in the crystal structure of selected diammonium thiophenolates.
PublikacjaNew salts of thiophenol with three flexible aliphatic diamines H2N(CH2)nNH2 (n = 2, 4 and 6) have been synthesized and characterized by elemental analyses, IR spectroscopy and X-ray crystallography in order to analyze their supramolecular architecture. Structural analyses indicate that in the crystals, proton transfer has occurred, with the –SH group giving (+)N–H···S(−) hydrogen bonding interaction. The structure of compound 1...
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Structure and hyperfine interactions in Bi1−xNdxFeO3 solid solutions prepared by solid-state sintering
PublikacjaThe series of polycrystalline ceramic powders, Bi1xNdxFeO3 (x = 0.11) was successfully synthesized by mixed oxide method followed by pressureless sintering. X-ray diffraction and Mössbauer spectroscopy were used as complementary methods to study structure and hyperfine interactions of the samples. It was found that with an increase of Nd content, within the range of x = 0.20.3 a structural phase transition from rhombohedral to...
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Straightening of ship hull structure made of 316L stainless steel - tensile test of water cooled materia
Dane BadawczeThe AISI 316L type steel belongs to the group of chromium-nickel stainless steels. They are determined according to European standards as X2CrNiMo17-12-2 and belong to the group of austenitic stainless steels. Steels of this group are used for elements working in seawater environments, for installations in the chemical, paper, and food, industries,...
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Straightening of ship hull structure made of 316L stainless steel - tensile test of naturally cooled material
Dane BadawczeThe AISI 316L type steel belongs to the group of chromium-nickel stainless steels. They are determined according to European standards as X2CrNiMo17-12-2 and belong to the group of austenitic stainless steels. Steels of this group are used for elements working in seawater environments, for installations in the chemical, paper, and food, industries,...
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Short-range order structure and free volume distribution in liquid bismuth: X-ray diffraction and computer simulations studies
PublikacjaThe structure of liquid bismuth was studied by X-ray diffraction and computer simulation methods. The contraction of the atomic structure within the first coordination sphere in the temperature interval of 575- 1225 K is reported. The temperature dependencies of the coordination numbers and of the free volume are analysed. On the basis of the temperature dependencies of the free volume, the temperature dependencies of viscosity...
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The analysis of the influence of the corrosion protection method of selected steel elements on the steel structure life cycle costs
PublikacjaSteel products are widely used in the construction for the performance of essential and additional elements of engineering structures. They are characterized by high tensile strength, compression and bending, the structure homogeneity, the possibility of assembly regardless of the season and climatic conditions, ease of processing and the possibility of almost any shape. The main disadvantage of steel structures is their high susceptibility...
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Effect of bio-polyol molecular weight on the structure and properties of polyurethane-polyisocyanurate (PUR-PIR) foams
PublikacjaThe increasing interest in polyurethane materials has raised the question of the environmental impact of these materials. For this reason, the scientists aim to find an extremely difficult balance between new material technologies and sustainable development. This work attempts to validate the possibility of replacing petrochemical polyols with previously synthesized bio-polyols and their impact on the structure and properties...
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Structure of the register of immovable monuments in terms of the number of large-scale monuments by voivodeship – comparison of 2003 and 2024
Dane BadawczeThe following dataset compares the structure of the register of immovable monuments in Poland regarding the number of large-scale monuments by voivodeship for 2003 and 2024. In 2003, the large-scale monuments accounted for only 1.4% of all the immovable monuments. However, in 2024, their number has more than doubled, indicating significant growth.
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Simulation of fluid structure interaction in a novel design of high pressure axial piston pump
PublikacjaA novel type of an axial, piston-driven high pressure hydraulic pump with variable capacity marks a significant improvement in the area of the hydraulic machinery design. Total discharge from hydrostatic forces eliminates a need for a servomechanism, thus simplifying operation, reducing weight and introducing the possibility of the pump displacement control by computer. PWK-type pumps, invented in the Gdansk University of Technology,...
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Chemical structure, thermal and mechanical characterization of bio-based polyurethane composites filled with microcrystalline cellulose
PublikacjaOver the past several decades, the interest in replacing the synthetic components used in the production of polymers and composites with their natural counteparts has been growing. Biocomposites belong to the group of materials produced with the use of renewable raw materials. There has been a recent surge of interest in the industrial applications of composites containing natural fibres reinforced with biopolymers. Biopolymers...
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The effect of Sr and Mg substitutions on structure, mechanical properties and solubility of fluorapatite ceramics for biomedical applications
PublikacjaIonic substitutions play important role in the modifications of biological apatites. Recently, attention has been focused on the co-doping effects on the functional properties of apatite-based biomaterials. In this research work, the dense samples of fluorapatites, Ca10(PO4)6F2 and Ca8MgSr(PO4)6F2, were produced after sintering at 1250 °C for 6 h in air. Structural characterization carried out with XRD, IR, Raman and SEM, confirmed...
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Effect of Nb and Al on in vitro dissolution behavior and structure of Na2O-MgO CaO-P2O5 glasses
PublikacjaIn vitro dissolution, structure, and thermal properties of the glass series Na2O-MgOsingle bondCaOsingle bondNb2O5 -Al2O3-P2O5 were studied. The dissolution behavior in phosphate-buffered saline (PBS) confirmed the potential bioactive properties of tested glasses. The dissolution process was found to depend on the Al, Nb, and Mg contents. Al, respectively, suppresses the Nb and accelerates the Mg release process from the glasses....
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Polypropylene structure alterations after 5 years of natural degradation in a waste landfill
PublikacjaUp to 25% of plastic waste in Europe is still disposed of in landfills, despite recycling efforts. The plastic waste in the landfill plot may be exposed both to abiotic and biotic degradation processes, although it is thought that most of the plastic materials tend to be resistant to biodegradation or biodeterioration even after a long time. To verify if polypropylene (PP) can undergo the process of short-term biodegradation and...
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Mass spectrometry based identification of geometric isomers during metabolic stability study of a new cytotoxic sulfonamide derivatives supported by quantitative structure-retention relationships
PublikacjaA set of 15 new sulphonamide derivatives, presenting antitumor activity have been subjected to a metabolic stability study. The results showed that besides products of biotransformation, some additional peaks occurred in chromatograms. Tandem mass spectrometry revealed the same mass and fragmentation pathway, suggesting that geometric isomerization occurred. Thus, to support this hypothesis, quantitative structure-retention relationships...
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The valance state of vanadium-key factor in the flexibility of potassium vanadates structure as cathode materials in Li-ion batteries
PublikacjaPotassium hexavanadate (K2V6O16·nH2O) nanobelts have been synthesized by the LPE-IonEx method, which is dedicated to synthesis of transition metal oxide bronzes with controlled morphology and structure. The electrochemical performance of K2V6O16·nH2O as a cathode material for lithium-ion batteries has been evaluated. The KVO nanobelts demonstrated a high discharge capacity of 260 mAh g−1, and long-term cyclic stability up to 100...
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Modification of cellulosic filler with diisocyanates – volatile organic compounds emission assessment and stability of chemical structure over time
PublikacjaThis paper investigated the impact of type and content of diisocyanate on the structure of modified cellulose fillers. Four the most popular isocyanates were applied – isophorone, hexamethylene, toluene and methylene diphenyl diisocyanate – at loadings of 1–15 wt%. Chemical structure, and its short-term storage stability, were investigated for eight weeks. Moreover, the main volatile organic compounds detected during modification,...
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"Creating a numerical model of noise conditions based on the analysis of traffic volume changes in cities with low and medium structure.
PublikacjaThe subject of this research study is to analyze noise conditions of the selected area in the city of Gdańsk using data related to traffic volume changes during a day. This is because daily distribution of noise levels is much more helpful for noise control and reduction than traditional maps with Lden levels indicated. Calculations are made with the use of a numerical model developed at the Gdansk Univ. of Technology and implemented...
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"Creating a numerical model of noise conditions based on the analysis of traffic volume changes in cities with low and medium structure.
PublikacjaThe subject of this research study is to analyze noise conditions of the selected area in the city of Gdańsk using data related to traffic volume changes during a day. This is because daily distribution of noise levels is much more helpful for noise control and reduction than traditional maps with Lden levels indicated. Calculations are made with the use of a numerical model developed at the Gdansk Univ. of Technology and implemented...
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The effect of calcination temperature on structure and photocatalytic properties of Au/Pd nanoparticles supported on TiO2
PublikacjaBimetallic nanoparticles, composed of two different metal elements, can exhibit peculiar electronic, optical, and catalytic or photocatalytic properties that are absent in the corresponding monometallic nanoparticles. We show the effect of calcination temperature (from 350 to 700°C) on the structure and the photocatalytic properties of Au/Pd-modified TiO2. The composition of the bimetallic Au/Pd nanoparticles in relation to their...
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Structure and properties of the exopolysaccharides produced by Pseudomonas mutabilis T6 and P. mutabilis ATCC 31014
PublikacjaThis paper presents a study on the purification, primary structure, and rheological properties of exopolysaccharides isolated from cultures of Pseudomonas mutabilis T6 and P. mutabilis ATCC 31014. Both polymers are exopolysaccharides of D-mannose. The mannan isolated from P. mutabilis T6 contains on average about 5% of residual b-D-glucose, in contrast to the mannan from P. mutabilis ATCC 31014, which contained only trace amounts...
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Structure of the register of immovable monuments in terms of the number of monuments by voivodeship – comparison of 2016 and 2024
Dane BadawczeThis dataset compares the structure of the register of immovable monuments in Poland regarding the number of monuments by voivodeship for 2016 and 2024. Over eight years, the number of immovable monuments has increased (over 9000 monuments increase). The historical regions impact the fact that the most immovable monuments are located in Lower Silesia,...
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Structure of the register of immovable monuments in terms of the number of large-scale monuments by voivodeship - comparison of 2016 and 2024
Dane BadawczeThe following dataset compares the structure of the register of immovable monuments in Poland regarding the number of large-scale monuments by voivodeship for 2016 and 2024. The dataset has been compiled based on the data in the Report on the State of the Immovable Monuments in Poland – Monuments entered in the Register of Monuments (Register Books...
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Rich Bifurcation Structure in a Two-Patch Vaccination Model
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Disintegration of the Prolamellar Body Structure at High Concentrations of Hg2+
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Intelligent Control Structure for Control of Integrated Wastewater Systems
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The Ownership Structure and the Performance of the Polish Stock Listed Companies
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A complex variable fractional-delay FIR filter structure
PublikacjaW artykule wprowadzamy strukturę zespolonego filtru o skończonej odpowiedzi impulsowej (ang. finite impulse response - FIR) ze zmiennym opóźnieniem ułamkowym (ang. fractional delay - FD). Strukturę tę otrzymujemy na podstawie przestrajanego filtru FD FIR o współczynnikach rzeczywistych. Stanowi ona połączenie zbioru liniowo-fazowych filtrów FIR o współczynnikach stałych rzeczywistych i dwóch łańcuchów mnożąco-akumulujących, zawierających...
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Enhancing the set of experience knowledge structure as a reflexive ontology
PublikacjaPrzedstawiono mechanizm wspomagania reprezentacji wiedzy wyrażonej w postaci zbioru doświadczeń przy pomocy ontologii.
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Silo music — Mechanism of dynamic flow and structure interaction
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Hyperfine Structure Study of Several Lines of207Pb I
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Structure-Activity Relationships in Two-Electron Reduction of Quinones
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The structure and role of mammalian sperm RNA: a review
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Modal structure design in refractive capillary optical fibers
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Structure of the scalar field around unidirectional circular cylinders
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Structure and oxygen permeability of BaCo0.7Fe0.3−In O3− ceramic membranes
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CdS Nanocrystallines: Synthesis, Structure and Nonlinear Optical Properties
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Electronic structure and physical properties of EuAuAs single crystal
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Structure and electric properties of double magnesium zirconium orthophosphate
PublikacjaPublikacja przedstawia wyniki pomiarów elektrycznych i strukturalnych ortofosforanu magnezowo-cyrkonowego.