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Search results for: TRANSITION DIPOLE MOMENT
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Transition Metal Oxides influence on phosphate and borate glasses structure
PublicationBorate and phosphate glasses possess many potential luminescence and optical applications. With their low melting point, they are one of the most often studied amorphous materials. In recent years these glasses, doped with transition metal oxides (TMO), gained much attention due to their tunable structural and thermal properties. Review of systems containing TMOs was presented. Additionally synthesis of binary MnO-P2O5 and MnO-B2O3...
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The unstable thermoelectric effect in non-stoichiometric Cu2Se during the non-equilibrium phase transition
PublicationThe superionic α ↔ β phase transition in Cu1.96Se thermoelectric material is investigated by means of thermal analysis (DSC) and measurements of Seebeck coefficient and electrical conductivity. Results of the DSC measurements with 1–10 K/min heating and cooling rates show that the material is close to the equilibrium phase composition during the transformation. However, the kinetic limitation of the process exists, which is indicated...
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A first-principles study of electronic and magnetic properties of 4d transition metals doped in Wurtzite GaN for spintronics applications
PublicationWe studied the electronic and magnetic properties of wurtzite GaN (w-GaN) doped with different concentrations of the 4d transition metal ions Nb, Mo, and Ru. We incorporated spin-polarized plane-wave density functional theory within an ultrasoft pseudopotential formalism. The 4d transition metals were doped at different geometrical sites to determine the geometry with the lowest total energy and the one that induced the largest...
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An analytical four-layer horizontal electric current dipole model for analysing underwater electric potential in shallow seawater
PublicationThe paper presents a new analytical four‑layer (air–water–bottom–non‑conductive layer) horizontal electric dipole model which allows an accurate approximation of ship’s Underwater Electric Potential (UEP) from a sufficient depth in shallow coastal marine waters. The numerical methods, usually Finite Element Method (FEM) or Boundary Elements Method (BEM), are typically used to estimate the electric field and the distribution of...
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Detailed investigation of the phase transition inKxP4W8O32and experimental arguments for a charge density wave due to hidden nesting
PublicationDetailed structural and magnetotransport properties of monophosphate tungsten bronze Kx(PO2)4(WO3)8 single crystals are reported. Both galvanomagnetic and thermal properties are shown to be consistent with a charge density wave electronic transition due to hidden nesting of the quasi-1D portion of the Fermi surface. We also observe the enhancement of electronic anisotropy due to reconstruction of the Fermi surface at the Peierls...
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Integrating Art into Places in Transition - Rose Kennedy Greenway in Boston as a Case Study
PublicationAmong the many projects realized in public spaces, some are truly unique – and these are the ones that build the identity of a place. The aim of this paper is to examine how integrating art and cultural strategies into public space can enhance and reinforce the sense of a place. Particular attention is devoted to urban spaces that we call “places in transition”, where public art improves the city’s imaginative capacity, enlivens...
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Rotation Triggers Nucleotide-Independent Conformational Transition of the Empty β Subunit of F1-ATPase
PublicationF1-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...
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Experimental study on the feasibility of alternative materials for tilting pad thrust bearings operating in transition to mixed friction
PublicationIn hydrodynamic bearings traditional bearing alloys: Babbitts and bronzes are most frequently utilized. Polymer sliding layers are sometimes applied as a valuable alternative. Hard diamond-like carbon (DLC) coatings, which are also considered for certain applications may show some advantages, as well. Although material selection is of secondary importance in a full film lubrication regime it becomes important in mixed friction...
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Machine learning-based prediction of seismic limit-state capacity of steel moment-resisting frames considering soil-structure interaction
PublicationRegarding the unpredictable and complex nature of seismic excitations, there is a need for vulnerability assessment of newly constructed or existing structures. Predicting the seismic limit-state capacity of steel Moment-Resisting Frames (MRFs) can help designers to have a preliminary estimation and improve their views about the seismic performance of the designed structure. This study improved data-driven decision techniques in...
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Global Development and International Order Transition
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Effect of isovalent substitution on microstructure and phase transition of LaNb1−xMxO4 (M=Sb, V or Ta; x=0.05–0.3)
PublicationLaNb1−xMxO4 oxides with pentavalent elements of different ionic sizes (M=Sb, Ta and V, x=0.05–0.3) were synthesized by the solid state reaction method. Special interest was devoted to the antimony substituted lanthanum niobate which is a new material in this group. Rietveld analysis of the X-ray diffraction patterns was used to determine the influence of the material composition on unit cell parameters. On the basis of dilatometric...
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Excitation energy transfer in partly ordered polymer films differing in donor and acceptor transition moments orientation
PublicationBased on spectroscopic measurements selected properties of nonradiative Förster energy transport are studied in uniaxially stretched polyvinyl alcohol thin films for three systems differing in donor and acceptor transition moments orientation relative to the axis of stretching. In particular, donor – acceptor emission anisotropy spectra yield completely different regularities for these systems in uniaxially stretched films, whereas...
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Machine learning-based prediction of residual drift and seismic risk assessment of steel moment-resisting frames considering soil-structure interaction
PublicationNowadays, due to improvements in seismic codes and computational devices, retrofitting buildings is an important topic, in which, permanent deformation of buildings, known as Residual Interstory Drift Ratio (RIDR), plays a crucial role. To provide an accurate yet reliable prediction model, 32 improved Machine Learning (ML) algorithms were considered using the Python software to investigate the best method for estimating Maximum...
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Moment resistance of I-section end-plate roof girder splices; a case study
PublicationThis article deals with the problem of determining the resistance of end-plate connections. A nonlinear FEM model of the joint was constructed in order to predict its carrying capacity. A standard code procedure was done as well. The analyses have been done to assess atypical end-plate joints designed and constructed as a part of roof structures.
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High temperature monoclinic-to-tetragonal phase transition in magnesium doped lanthanum ortho-niobate
PublicationMagnesium doped lanthanum ortho-niobate (La0.98Mg0.02NbO4) was prepared by the molten salt synthesis method. X-ray diffraction and dilatometry methods were used to study high temperature behavior of the ceramic material. Special attention was paid to the phase transition between the monoclinic and tetragonal phases. The values of spontaneous strain on the basis of unit cell parameter, obtained by Rietveld refinement, have been...
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A constitutive law for concrete with smooth transition from continuous into discontinuous cracks’ description
PublicationPaper presents a constitutive model for concrete that combines a continuous and discontinuous crack’s description to simulate the concrete under tensile dominated loads. In a continuum regime, two different constitutive laws were used. First, a plasticity model with the Rankine failure criterion and an associated flow rule was used. Second, a constitutive law based on isotropic damage mechanics was formulated. Both model alternatives...
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Innovative Urban Blue Space Design in a Changing Climate: Transition Models in the Baltic Sea Region
PublicationWaterfront 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...
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Bonding in Phosphanylphosphinidene Complexes of Transition Metals and their Correlation with Structures, 31 P NMR Spectra, and Reactivities
PublicationTheoretical 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...
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Mathematical modeling and prediction of pit to crack transition under cyclic thermal load using artificial neural network
PublicationThe formation of pitting is a major problem in most metals, which is caused by extremely localized corrosion that creates small holes in metal and subsequently, it changes into cracks under mechanical load, thermo-mechanical stress, and corrosion process factors. This research aims to study pit to crack transition phenomenon of steel boiler heat tubes under cyclic thermal load, and mathematical modeling...
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Improving Social Justice, Environmental Integrity, and Geopolitical Resilience in EU Electric Mobility Transition
PublicationWe recommend improving social justice, environmental integrity, and geopolitical resilience in electric mobility transition. To achieve this policy recommendation, we propose the following: (1) Increase societal acceptance and justice of climate policies by engaging local stakeholders; (2) Prioritize sustainable mobility practices over replacement of internal combustion engine vehicle (ICEV) with battery electric vehicle (BEV);...
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Improvement of Performance Level of Steel Moment-Resisting Frames Using Tuned Mass Damper System
PublicationIn this paper, parameters of the tuned mass dampers are optimized to improve the performance level of steel structures during earthquakes. In this regard, a six-story steel frame is modeled using a concentrated plasticity method. Then, the optimum parameters of the Tuned Mass Damper (TMD) are determined by minimizing the maximum drift ratio of the stories. The performance level of the structure is also forced to be located in a...
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Magnetic and structural phase transition in Ni50Mn35.5In14.5 ribbon
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Insulator to correlated metal transition inV1−xMoxO2
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Quasiharmonic approach to a second-order phase transition
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Phonon Mechanism of the Magnetostructural Phase Transition in MnAs
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Insulator to correlated metal transition in V1−xMoxO2
PublicationDyskutowane jest przejście typu izolatro - metal w domieszkowanym atomami Molibdenu związku V1-xMoxO2. Prezentowany jest diagram fazowy.
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Dynamics of Railway Vehicles Movement on Transition Curves
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Stability and phase transition investigation of olanzapine polymorphs
PublicationWe use electrical embedded-fragment QM method with both DFT/ωB97XD/6-31G* and MP2/6-31G* to investigate the phase transformations of olanzapine. Gibbs free energy calculations predict that form I is always the most stable structure and form II is the least stable one, while form IV is more stable than form III below about 200 K but less stable above this temperature, implying a polymorphic phase transformation. This may account...
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Dipole-bound and dispersion-bound anions supported by the asymmetric tautomers of aminophosphine: H3NPH and HNPH3
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Dipole and Coulomb Forces in Electron Capture Dissociation and Electron Transfer Dissociation Mass Spectroscopy
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Anab initiostudy of the betaine anion–dipole-bound anionic state of a model zwitterion system
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Finite element analysis on failure of reinforced concrete corner in sewage tank under opening bending moment
PublicationW artykule omówiono mechanizm uszkodzenia żelbetowego zbiornika ściekowego w narożniku ściany, który uległ uszkodzeniu podczas próby wypełnienia na skutek nadmiernych przemieszczeń poziomych ścian pod wpływem otwierającego momentu zginającego. Aby wyjaśnić przyczyny awarii, przeprowadzono kompleksowe obliczenia metodą elementów skończonych (MES) żelbetowego zbiornika w warunkach odkształcenia płaskiego. Beton zamodelowano za pomocą...
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A Low-Profile Metal-backed Dipole Loaded with Closely Coupled Arc-shaped Open Stubs for On-metal Tag Design with Wide Frequency Tuning Capability
PublicationThis research has presented a single-layer metal-backed dipole antenna, which consists of a feedline loaded with two pairs of closely-coupled arc-shaped open stubs, for designing a metal-mountable tag that features tuning capability over a wide range of frequency. Here, the stubs can generate sufficient inductive reactance for bringing down the tag resonant frequency tunable in both the regulated UHF RFID passbands (North American...
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The first order phase transition and superconductivity in BaNi2As2single crystals
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Possible singlet-to-triplet pairing transition inNaxCoO2·yH2O
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High pressure effect on charge transfer transition in Y2O2S:Eu3+
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Energy Transition in Poland—Assessment of the Renewable Energy Sector
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Induction of Epithelial-mesenchymal Transition in MDCK II Cells
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CIVILIZING THE PUBLIC PARTICIPATION PRACTICE IN POST-TRANSITION COUNTRIES
PublicationThe phenomenon of public participation is not so new to both planning theory and practice. In fact, involving local community in the decision-making process regarding local urban development directions is widely discussed and a number of various forms of these are being introduced. This paper deals with a number of
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Possible singlet-to-triplet pairing transition in Na_xCoO_2 * yH_2O
PublicationW pracy przedstawiono dokładne pomiary górnego pola krytycznego (H_c2) w niedawno odkrytym nadprzewodniku Na_xCoO_2 * yH_2O. Zauważono niezwykłe zachowanie pola krytycznego w funkcji temperatury. W celu wyjaśnienie zjawiska rozwiązano równania Gorkova dla sieci trójkątnej. Eksperymentalny wynik może być interpretowany jako przejście singlet - tryplet wywołane polem magnetycznym.
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Time-of-flight electron scattering from molecular hydrogen: Benchmark cross sections for excitation of the X1Σ+g→b3Σ+u transition
PublicationThe 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...
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Development of fragility curves in adjacent steel moment-resisting frames considering pounding effects through improved wavelet-based refined damage-sensitive feature
PublicationFragility curves present useful information related to earthquake-induced probability assessment of steel moment-resisting frames (MRFs) and determine the probability of the damage exceedance at different floor levels of MRFs. The review of the literature shows that most of the previous studies dealing with the fragility curves were based on conventional measures, such as spectral acceleration at the first mode period, peak...
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Finding Valence Antibonding Levels while Avoiding Rydberg, Pseudo-continuum, and Dipole-Bound Orbitals
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Organic pollutants photodegradation increment with use of TiO2 nanotubes decorated with transition metals after pulsed laser treatment
PublicationAmong various titanium(IV) oxide (TiO2, titania) structures, 1D nanotubes (TiO2 NTs) produced during the two-electrode anodization process, are extensively utilized in sensors or supercapacitors as well as in photo(electro)catalytic water splitting. However, due to wide bandgap and fast electron-hole recombination additional modifications, mostly concerned on materials surface, are required. According to the recent research, TiO2...
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Poverty and social exclusion in the transition Baltic States during the implementation of the European Union Lisbon Strategy - comparative analysis
PublicationThe problem of poverty and social exclusion in the Baltic States generates serious social, economic and political consequences. The scope of the analysis includes primarily the scale and structure of poverty and social exclusion in the Baltic Region in the years 2004-2010 in the context of the Lisbon Strategy of the European Union. The results show that during the transition and implementation of the Lisbon Strategy, the problem...
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Performance evaluation of IEEE 802.11 fast BSS transition algorithms
PublicationSimultation experiments are conducted to answer the questions if multimedia services can be properly supported in IEEE 802.11r networks. The authors prove that handover delay can be reduced to 22 ms in the average case.
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Innovation Capability Development in Regional Entrepreneurship: The Case of Economies in Transition
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The Study of Geometry of the Selected Transition Curves in the Design of Circular Roads
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The first order phase transition and superconductivity in BaNi2As2 single crystals
PublicationDyskutowane są synteza i właściwości fizyczne monokryształów BaNi2As2. BaNi2As2 krystalizuje w strukturze ThCr2Si2, a stałe sieciowe wynoszą odpowiednio: a = 4.112(4) A i c = 11.54(2) A. Pomiar oporu elektrycznego, zmiennopolowej podatności magnetycznej, ciepła właściwego, pokazują objętościowy efekt nadprzewodzący z Tc = 0.7 K.
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The Reactivity of Phosphanylphosphinidene Complexes of Transition Metals Toward Terminal Dihaloalkanes
PublicationThe reactivities of phosphanylphosphinidene complexes [(DippN)2W(Cl)(η2-P−PtBu2)]− (1), [(pTol3P)2Pt(η2- P=PtBu2)] (2), and [(dppe)Pt(η2-P=PtBu2)] (3) toward dihaloalkanes and methyl iodide were investigated. The reactions of the anionic tungsten complex (1) with stochiometric Br(CH2)nBr (n = 3, 4, 6) led to the formation of neutral complexes with a tBu2PP(CH2)3Br ligand or neutral dinuclear complexes with unusual tetradentate...