Wyniki wyszukiwania dla: PHASE-TRANSITION
-
Ab Initio Study of the Electronic Spectrum of 7-Hydroxyquinoline
PublikacjaThe electronic spectrum of 7-hydroxyquinoline has been studied by using ab initio Multi-State Multi-Reference Møller-Plesset Second-Order Perturbation Theory (MSMRMP2). The energy range up to 6.5 eV is taken into consideration. The lowest π–π* transition is calculated to have an energy of 3.65 eV in good agreement with experimental data. Several other π–π* transitions are predicted to have excitation energies of 4.93, 5.20, 5.47,...
-
Effect of electron count and chemical complexity in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor
PublikacjaHigh-entropy alloys are made from random mixtures of principal elements on simple lattices, stabilized by a high mixing entropy. The recently discovered body-centered cubic (BCC) Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor appears to display properties of both simple crystalline intermetallics and amorphous materials; e.g., it has a well-defined superconducting transition along with an exceptional robustness against disorder....
-
Performance of zinc-rich coatings evaluated using AFM-based electrical properties imaging
PublikacjaThe paper presents the results of investigation of polyvinyl zinc-rich coating exposed to 97% relativehumidity atmosphere for 40 days. Condition of the coating and evolution of its protective properties weredetermined with the novel AFM-based approach capable of providing surface profiles, local dc currentmaps as well as local impedance spectra. The proposed technique allowed insight into the local changesof coating topography...
-
X-Ray photoemission spectroscopy measurements of the Nb-V-Sr-O ceramics
Dane BadawczeNiobium doped strontium vanadate based perovskite SrV1-xNbxO3-δ materials were prepared via conventional solid state reaction (SSR) method. For comparison, different samples with a various amount of niobium dopant in the structure were synthesized; x = 0; 0,2; 0,5; 0,8 and 1. Samples were sintered by two-steps: first under a pure hydrogen (purity >99.999%)...
-
Spatial planning on regional level
PublikacjaPolish spatial planning results from typical for countries of Central and Eastern Europe transition . They have undergone the transformation from decentralized management system based on the dominance of state to the system of representative democracy, based on self-government administration; also territorial on regional level.
-
Transformation of Energy Markets: Description, Modeling of Functioning Mechanisms and Determining Development Trends
PublikacjaOne of the key contemporary economic and social issues today is the global energy transition. Energy transition processes are having a significant impact on the development of world economies, increasing their TFP and leading to an increase in their level of innovation through the transfer of myriad new technologies. These processes also contribute to an increase in foreign direct investment and, consequently, an increase in the...
-
Local properties of organic coatings close to glass transition temperature
PublikacjaAcrylic coating applied on copper substrate has been investigated at different temperatures starting from the ambient one up to the level above the glass transition temperature. Its local topographic and electric properties have been examined with the atomic force microscopy (AFM) based approach including dc current mapping and local impedance spectroscopy. The local findings have been compared with the information from global...
-
Effect of pine impregnation and feed speed on sound level and cutting power in wood sawing
PublikacjaThe sound levels along with the cutting power registered during the sawing process of the impregnated and non-impregnated pine wood at two feed speeds are shown and compared in this paper. Statistically significant differences in the acoustic signals occurred at the lower feed rate. The differences became smaller with an increase in the feed speed. In contrast to the sound signal, the differences...
-
On the electronic structure of methyl butyrate and methyl valerate
PublikacjaWe present novel results of the analysis of the electronic structure of two aliphatic esters: methyl butyrate and methyl valerate. High-resolution photoabsorption spectra were collected and analyzed over the energy range 4.0–10.8 eV and showed for both the molecules not only a clear band of the HOMO to LUMO transition, but also vibronic structure associated with the first Rydberg-valence transition. Photoelectron spectra recorded...
-
Valence and lowest Rydberg electronic states of phenol investigated by synchrotron radiation and theoretical methods
PublikacjaWe present the experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectra of phenol covering for the first time the full 4.3–10.8 eV energy-range, with absolute cross sections determined. Theoretical calculations on the vertical excitation energies and oscillator strengths were performed using time-dependent density functional theory and the equation-of-motion coupled cluster method restricted to single and double...
-
SEM/EDX data of (Cr,Fe,Mn,Co,Ni)3O4 High-entropy spinel oxide thin films deposited on amorphous SiO2 substrate by spray pyrolysis techniqe
Dane BadawczeThis Data set include SEM and EDX results of (Mn,Co,Fe,Ni,Cr)3O4 high-entropy spinel oxide prepared in the form of a ~ 500 nm thin film utilising a facile spray pyrolysis technique. The structural and electrical properties of the layers were characterised after exposure to temperatures in the range of 400–900 ◦C. The as-deposited layers were amorphous,...
-
TEM data of (Cr,Fe,Mn,Co,Ni)3O4 High-entropy spinel oxide thin films deposited on amorphous SiO2 substrate by spray pyrolysis techniqe
Dane BadawczeThis Dataset include presentation of summarized TEM investigation of (Mn,Co,Fe,Ni,Cr)3O4 high-entropy spinel oxide prepared in the form of a ~ 500 nm thin film utilising a facile spray pyrolysis technique. The structural and electrical properties of the layers were characterised after exposure to temperatures in the range of 400–900 ◦C. The as-deposited...
-
APPLICATION OF THE THEORY OF SEMI-MARKOV PROCESSES TO DETERMINE A LIMITING DISTRIBUTION OF THE PROCESS OF CHANGES OF ABILITY AND INABILITY STATES OF FUEL SUPPLY SYSTEMS IN HEAVY FUEL DIESEL ENGINES
PublikacjaThe paper presents applicability of the theory of semi-Markov processes to determine a limiting distribution of the process of changes of technical states of fuel systems for marine engines running on heavy fuel oils. The proposed study of this process includes the components of such fuel systems like: 1 - injectors, 2 - high pressure hoses, 3 - injection pumps, 4 - low pressure hoses, 5 – fine filters, 6 - coarse filters, 7 – fuel-feed...
-
Novel Polyurethanes as Antifouling Paint Matrices
PublikacjaThe new poly(ester-ether urethane)s (PEEUR) were prepared in two stage synthesis from formerly obtained oligo(alkylene ester-ether)diols (OAEE) and 4,4‘-diphenylmethane diisocyanate (MDI). PEEUR samples were subjected to crosslinking with styrene in the presence of radical polymerization initiators: methyl ethyl ketone peroxide (MEKPO) or cobalt 2-ethyl cyclohexanoate (EtHCo). Crosslinked PEEUR were characterized by their physicochemical...
-
Navier number and transition to turbulence
PublikacjaThe motivation behind this article is to explain a role of the Navier number (Na -dimensionless slip-length) in prediction of closures for laminar to turbulent transition undergoing via eddies detachment from the slip layer in nano-cannals. Additionally the role of the Navier number Na in universal modeling of phenomenon of enhanced mass flow rate reported in micro- and nano-channels has been explained. The Na number should be...
-
The Matter of Decision-Making Control Over Operation Processes of Marine Power Plant Systems with the Use of their Models in the form of Semi-Markov Decision-Making Processes
PublikacjaThe article presents the possibility to control the real operation process of an arbitrary device installed in the marine power plant based on the four-state semi-Markov process, being the model of the process, which describes the transition process of operational states of the device and the transition process of its technical states. All these states are precisely defined for the ship main engine (SG). A hypothesis is proposed...
-
Time-of-flight electron scattering from molecular hydrogen: Benchmark cross sections for excitation of the X1Σ+g→b3Σ+u transition
PublikacjaThe electron impact X1Σ+g to b3Σ+u transition in molecular hydrogen is one of the most important dissociation pathways to forming atomic hydrogen atoms, and is of great importance in modeling astrophysical and industrial plasmas where molecular hydrogen is a substantial constituent. Recently it has been found that the convergent close-coupling (CCC) cross sections of Zammit et al. [Phys. Rev. A 95, 022708 (2017)] are up to a factor...
-
Computer-aided reconstruction of the railway track axis geometrical shape
PublikacjaIn the paper a method of the railway track axis geometrical shape identification in a horizontal plane, directly from the continuous satellite measurements, is presented. In this method, an algorithm for the design of railway track sections located in the horizontal arc is used. The algorithm uses an analytical description of the layout by means of suitable mathematical formulas. The design procedure has a universal character and...
-
Total electrical conductivity data of (Cr,Fe,Mn,Co,Ni)3O4 High-entropy spinel oxide thin films deposited on amorphous SiO2 substrate by spray pyrolysis techniqe
Dane BadawczeThis dataset includes electrical conductivity measurements results measured by van der pauw technique up to 900oC.
-
Computer-Aided Design of Railroad Horizontal Arc Areas in Adapting to Satellite Measurements
PublikacjaThis paper presents a method of designing railway sections located in horizontal arcs. The adopted procedure is universal, i.e., it creates the possibility of varying both the type and the length of the assumed transition curves. This means that the applied analytical formulas apply to the boundary conditions of the transition curves and all of the simplifications widely existing in common algorithms have been eliminated. The presented...
-
Study of the effect of thermally reduced graphene oxide on the physical and mechanical properties of flexible polyurethane foams
PublikacjaFlexible polyurethane foams were obtained from a two-component system via the one-step method. The foams were modified with thermally reduced graphene oxide added in the amount equal to 0.25, 0.5 and 0.75 wt%. The morphology, static and dynamic properties, and thermal stability of modified foams were determined. The application of carbon filler resulted in the visible increase in the cell size, apparent density and rigidity of...
-
GROWTH AND STRUCTURAL CHANGES IN TRANSITION COUNTRIES: THE CHICKEN OR THE EGG?
PublikacjaThe objective of this study is to test empirically the relationship between structural changes (changes in gross value added and employment) and economic growth. We used a panel Granger-causality analysis based on annual data for eight transition countries, covering the period 1995–2011. The main finding is that the causality relations analysed are heterogeneous processes and are identified more often...
-
Effect of starch fillers on the dynamic mechanical properties of rubber biocomposite materials
PublikacjaIn the paper the results of dynamic mechanical study of the biocomposites containing one of two types of (potato or corn) strach used as fillers in different amount were discussed. The composites were obtained from rubbery mixture containing natural rubber (NR) as a main component. Thermomechanical analyses (by DMA) showed that the used quantity of strach fillers only slightly influence on the glass transition temperature of vulcanizates.
-
Seaweed as a resource for Anaerobic Digestion
PublikacjaExtensive growth of algae contributes to disruptive changes to the water ecosystems. This is mainly caused by redundant nutrients that are washed off the land and end up in waters. Tackling eutrophication by recovery of nutrients can be a solution to the problem. Cast marine biomass can be a resource for renewable energy technologies like anaerobic digestion. Such approach can contribute to the transition to a circular bio-economy and...
-
Ontology as a Tool for the IT Management Standards Support
PublikacjaIn this paper the authors discuss the initial idea of using ontologies to model requirements of the standards that support IT management processes. The Open Group Architecture Framework (TOGAF) is set as an example. A need for transition from the generic model do the organization-specific one is indicated. The described example serves as a ground for considering the usefulness of such modeling approach in the wider spectrum of...
-
Rotation Triggers Nucleotide-Independent Conformational Transition of the Empty β Subunit of F1-ATPase
PublikacjaF1-ATPase (F1) is the catalytic portion of ATP synthase, a rotary motor protein that couples proton gradients to ATP synthesis. Driven by a proton flux, the F1 asymmetric γ subunit undergoes a stepwise rotation inside the α3β3 headpiece and causes the β subunits’ binding sites to cycle between states of different affinity for nucleotides. These concerted transitions drive the synthesis of ATP from ADP and phosphate. Here, we study...
-
Nanostructure of the laser-modified transition metal nanocomposites for water splitting
PublikacjaAlthough hydrogen is considered by many to be the green fuel of the future, nowadays it is primarily produced through steam reforming, which is a process far from ecological. Therefore, emphasis is being put on the development of electrodes capable of the efficient production of hydrogen and oxygen from water. To make the green alternative possible, the solution should be cost-efficient and well processable, generating less waste...
-
Phylogenetic analysis of Oncidieae subtribe - ITS1-5,8S-ITS2
Dane BadawczeThe dataset contains alignment and consensus matrix files, and results of phylogenetic analysis of ITS1- 5,8S-ITS2 region from 186 orchid species considered to belong Oncidieae subtribe. Sequences were assessed from NCBI GeneBank (list of all records with identifiers in the separate file)
-
Phylogenetic analysis of Oncidieae subtribe - matK plastid region
Dane BadawczeThe dataset contains alignment and consensus matrix files, and results of phylogenetic analysis of plastid matK region from 186 orchid species considered to belong Oncidieae subtribe. Sequences were assessed from NCBI GeneBank (list of all records with identifiers in the separate file)
-
Chiral Schiff base complexes as an effective catalyst in Diels-Alder reaction
PublikacjaDiels Alder reaction is a very important tool in carbon-carbon bond formation. It is a cycloaddition between a conjugated diene and a second compound called dienophile. Where one or more heteroatoms are present in the diene and/or dienophile framework, the cycloaddition is called hetero-Diels-Alder reaction (HDA). The asymmetric Diels-Alder reaction is among the most powerful available methodologies for that construction of optically...
-
Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects
PublikacjaThe radiative emission lifetime and associated S1 excited state properties of a BODIPY dye are investigated with TDDFT and EOM-CCSD calculations. The effects of a solvent are described with the polarizable continuum model using the linear response (LR) approach as well as state-specific methods. The Franck–Condon (FC), Herzberg–Teller (HT) and Duschinsky vibronic effects are evaluated for the absorption and emission spectra, and...
-
Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals
PublikacjaGlobal reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory (TST) was utilized to estimate the bimolecular rate constants. Ten oxidation pathways have been investigated, and all of them are exothermic. The potential energy diagram has been sketched using different pre- and post-reactive complexes for all reaction pathways. Rate coefficient...
-
Innovative Urban Blue Space Design in a Changing Climate: Transition Models in the Baltic Sea Region
PublikacjaWaterfront areas in cities are subject to constant changes. The desire to integrate the transformed waterside areas with the urban fabric involves shaping high-quality public spaces related to water, which are often referred to as urban blue spaces (UBS). The aim of the research was to examine the transformation processes of urban waterfront areas in the Baltic Sea Region and identify emerging transition models and types of blue...
-
Exploring the role of social networks among entrepreneurial Polish immigrants
PublikacjaThe paper reports on the explanatory case study among seven Polish enterprising migrants from Aberdeen Scotland. The aim of the paper is to examine role of social support structure and social networks for enterprising Poles. It also attempts to extend of Waldinger et al (2000) ethnic business development model in the context of entrepreneurial strategies taken from by immigrants from their country of origin, claiming that transition...
-
Analytical method of modelling the geometric system of communication route
PublikacjaThe paper presents a new analytical approach to modelling the curvature of a communication route by making use of differential equations. The method makes it possible to identify both linear and nonlinear curvature. It enables us to join curves of the same or opposite signs of curvature. Solutions of problems for linear change of curvature and selected variants of nonlinear curvature in polynomial and trigonometric form were analyzed....
-
Investigation of magnetic order in a new intermetallic compound Nd2PtGe3
PublikacjaIn the present study we report a successful synthesis of the new intermetallic compound Nd2PtGe3 by an arc-melting method. The powder X-ray diffraction analysis indicates that this compound crystallizes in an disordered variant of the AlB2-type structure (space group P6/mmm, no. 191) with lattice parameters a = 4.2455 Å and c = 4. 1933 Å. The compound exhibits a cluster-glass transition below Tf = 2.9 K, characterized through ac...
-
Thermodynamic Properties of Inorganic Salts in Nonaqueous Solvents. VI. Apparent Molar Volumes, Expansibilities, and Compressibilities of Divalent Transition Metal Ions in Methanol and Dimethylsulfoxide
PublikacjaThe temperature dependence of the density of divalent transition metal perchlorates in dimethylsulfoxide as well as cobalt(II), nickel(II) perchlorates, and copper(II) trifluoromethanesulfonate in methanol was determined. Moreover, sound velocities for solutions of cobalt(II), nickel(II) perchlorates, and copper(II) trifluoromethanesulfonate in methanol have been measured at 298.15 K. From these data, the partial molar volumes,...
-
Inhibition of impurities formation in the synthesis of N-alkyltheobromines stimulated by microwave irradiation. Cationic and anionic response of membrane electrodes
PublikacjaN-Alkyltheobromine (1-9) derivatives were obtained by reacting theobromine with appropriate alkyl halide under microwave irradiation at 100-150 W and by conventional synthesis. Formation of by-products of oxygen atom alkylation and 1-N-alkyltheobromine ring opening were considered. The presented compounds 1-5 have been studied as ion carriers in ion-selective membrane electrodes. Selectivity of these membranes was studied towards...
-
Effect of composition on the thermal properties and structure of M-Al-Si-O-N glasses, M = Na, Mg, Ca
PublikacjaThe primary objective of this study is to explore the relationship between the composition, structure, and thermal characteristics of M-Al-Si-O-N glasses, with M representing sodium (Na), magnesium (Mg), or calcium (Ca). The glasses were prepared by melting in a quartz crucible at 1650 °C and AlN precursor (powder) was utilized as a nitrogen source. The measured thermal properties studied were glass transition temperature (Tg),...
-
Semicrystalline Polyesters Based on a Novel Renewable Building Block
PublikacjaIsohexides, like e.g. isosorbide, are well-known carbohydrate-based rigid diols which are capable of dramatically increasing the glass transition temperature of polyesters. However, their relatively low reactivity has thus far hampered large-scale industrial applications in the polymer field. Recently, with the aim to increase reactivity while at the same time retain rigidity, we have developed a new isoidide dicarboxylic acid...
-
Cellulosic bionanocomposites based on acrylonitrile butadiene rubber and Cuscuta reflexa: adjusting structure-properties balance for higher performance
PublikacjaDesign and manufacture of cellulosic nanocomposites with acceptable performance is in the period of a transition from fantasy to reality. Typically, cellulosic nanofillers reveal poor compatibility with polymer matrices. Thus, adjusting the balance between structure and properties of cellulosic bionanocomposites by careful selection of parent ingredients is the first priority. Herein, we incorporated Cuscuta reflexa derived cellulose...
-
Human System Interaction in Review: Advancing the Artificial Intelligence Transformation
PublikacjaThe industrial advancement of human society has been fundamentally driven by diverse ‘systems’ that facilitate ‘human interaction’ within physical, digital, virtual, social and artificial environments, and upon the hyper-connected layers of system-system interactions across these environments. The research and practice of Human System Interaction (HSI) has undergone exponential development due to the enhanced capabilities, increased...
-
Bonding in Phosphanylphosphinidene Complexes of Transition Metals and their Correlation with Structures, 31 P NMR Spectra, and Reactivities
PublikacjaTheoretical studies of the bonding interactions and most important properties are carried out for isolable phosphanylphosphinidene complexes of transition metals. Three main types of phosphanylphosphinidene complexes are distinguished, based on the way in which the phosphanylphosphinidene ligand bonds to the metal center: (i) side-on complexes of platinum, where the R2Pβ–Pα ligand mimics structural features of free singlet phosphanylphosphinidenes...
-
The homometallic warwickite V 2 OBO 3
PublikacjaThe synthesis, structure and elementary magnetic characterization of the homometallic warwickite V2OBO3 are reported. The material adopts the orthorhombic warwickite structure type at room temperature, space group Pnma (No. 62) with lattice parameters a = 9.2317(1) Å, b = 3.1172(1) Å, and c = 9.5313(1) Å. Temperature-dependent magnetic susceptibility, electrical resistivity, and specific heat measurements show anomalies near 35 K,...
-
Quasirelativistic potential energy curves and transition dipole moments of NaRb
PublikacjaWe report on extensive calculations of quasi-relativistic potential energy curves and, for the first time, transition dipole moments including spin-orbit and scalar-relativistic effects of the NaRb molecule. The calculated curves of the 0+, 0-, 1, 2 and 3 molecular states correlate for large internuclear separation with the fourteen lowest atomic energies up to the Na(3s ^2S_{1/2}) + Rb(7s ^2S_{1/2}) atomic limit. Several new features...
-
Evaluation of Readiness of IT Organizations to Agile Transformation Based on Case-Based Reasoning
PublikacjaNowadays many of IT organization decides to change the way of delivering from classic, waterfall approach to agile. This transition is called “agile transformation” (AT). The problem of this process is that part of companies started AT without any analysis. This causes that many of transitions fails and organizations must return to old methods of delivering. Cost of return is significant and number of projects with violated project...
-
Smaller Representation of Finite State Automata
PublikacjaThis paper is a follow-up to Jan Daciuk's experiments on space-effcient finite state automata representation that can be used directly for traversals in main memory. We investigate several techniques of reducing memory footprint of minimal automata, mainly exploiting the fact that transition labels and transition pointer offset values are not evenly distributed and so are suitable for compression. We achieve a gain of around 20-30%...
-
TiO2 and Reducing Gas: Intricate Relationships to Direct Reduction of Iron Oxide Pellets
PublikacjaIn response to the imperative for sustainable iron production with reduced CO2 emissions, this study delves into the intricate role of TiO2 in the direct reduction of iron oxide pellets. The TiO2-dependent reducibility of iron oxide pellets utilizing H2 and CO gas across varied temperatures and gas compositions is thoroughly investigated. Our findings unveil the nuanced nature of the TiO2 effect, underscored by its concentration-dependent...
-
The changes of crosslink density of polyurethanes synthesised with using recycled component. Chemical structure and mechanical properties investigations.
PublikacjaThis paper aims at the utilisation of glycerolysate (Gly) obtained in polyurethane recycling process by means of crude glycerine, which has in its structure hydroxyl end groups that allow for further processing. Polyurethanes (PUs) were synthesised using prepolymer method with the mixture of neat polyol and glycerolysate, in different ratios, with 4,4-diphenylmethane diisocyanate (MDI). The prepolymer was subsequently extended...
-
Synthesis and application of tetrazole di and triamide derivatives in ion-selective membrane electrodes
PublikacjaA number of tetrazole diamides and triamides have been synthesized and applied as ion carries in ion-selective membrane electrodes. Their selectivity and sensitivity were studied towards alkali, alkaline earth, transition and heavy metal cations. it was found that membranes doped with 3 and 2-nitrophenyl octyl ether exhibit an almost theoretial Nernstian response for NH+ over relatively wide concentration range. Elestrodes with...