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Wyniki wyszukiwania dla: WAVEPACKETS IN QUANTUM MECHANICS
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Using impedance spectroscopy to characterize and monitor protection aspects of organic coating systems on metal
PublikacjaOrganiczne powłoki ochronne stosowane są powszechnie do ochrony konstrukcji metalowych przed korozją i zużyciem mechanicznym. W pracy zaproponowano nowy typ sensora impedancyjnego, który może być zastosowany do ciągłej oceny właściwości barierowych i adhezyjnych systemów powłokowych w warunkach terenowych w sposób nieniszczący, bez konieczności stosowania naczyń z elektrolitem. Przedstawiono koncepcję czujnika oraz przykładowe...
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Strain energy density and entire fracture surface parameters relationship for LCF life prediction of additively manufactured 18Ni300 steel
PublikacjaIn this study, the connection between total strain energy density and fracture surface topography is investigated in additively manufactured maraging steel exposed to low-cycle fatigue loading. The specimens were fabricated using laser beam powder bed fusion (LB-PBF) and examined under fully-reversed strain-controlled setup at strain amplitudes scale from 0.3% to 1.0%. The post-mortem fracture surfaces were explored using a non-contact...
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Application of percolation theory for description of electrical properties of conducting coatings
PublikacjaPrzedstawiono pomiary elektryczne i elektrochemiczne powłok organicznych przewodzących prąd elektryczny i mogących pełnić rolę anody w systemie ochrony katodowej żelbetonu. Za pomocą pomiarów impedancyjnych dokonano oceny rezystancji powłoki w funkcji zawartości grafitu. Na tej podstawie oszacowano próg perkolacji powłoki epoksydowej domieszkowanej elektrografitem. Ocenę obciążalności prądowej powłok przewodzących dokonano wykonując...
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Application of the short time Fourier transformation to the continuous frequency method of measurement of electrode impedance
PublikacjaPrzedstawiona została nowa metoda pomiaru impedancji elektrodowej. Wykorzystuje ona jako pobudzenie niestacjonarny sygnał napięciowy, którego częstotliwość jest liniową funkcją czasu. Zastosowanie transformacji STFT do analizy napięciowego sygnału pobudzenia i odpowiedzi prądowej umożliwia wyznaczenie widma impedancyjnego. Dokładność otrzymywanych wartości impedancji uwarunkowana jest wielkością okna i zastosowanej funkcji analizującej.
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Application of acoustic emission in evaluation of pitting corrosion insteel
PublikacjaPrzedstawiono przegląd różnych zastosowań emisji akustycznej (AE) w badaniach korozji wżerowej stali austenitycznej. Wykorzystanie emisji akustycznej w przypadku tego rodzaju korozji nie jest przypadkowe, ponieważ korozja wżerowa jest najgroźniejszym typem korozji, atakującym różne materiały konstrukcyjne takie jak stal. Prezentowana praca przeglądowa dostarcza przydatnych informacji o naturze pomiarów akustycznych, które wykazują...
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Application of the electrochemical quartz crystal microbalance in corrosionstudies
PublikacjaPrzegląd niniejszy opisuje zastosowania elektrochemicznej wagi kwarcowej (EQCM) w badaniach korozyjnych. Przedstawione zostały dwa główne obszary badań. Jeśli chodzi o badania mechanizmów korozji, mikrowaga elektrochemiczna była wykorzystywana jako narzędzie do testowania korozji miedzi, niklu, cynku, aluminium i stopów. Była użyteczna w określaniu mechanizmów roztwarzania albo pasywacji w różnych warunkach. Drugim kierunkiem wykorzystania...
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EIS in diagnostic of cathodic protection systems
PublikacjaZaprezentowano wyniki badań wykonywanych techniką elektrochemicznej spektro-skopiiimpedancyjnej (EIS) na elementach instalacji ochrony katodowej podziemnego rurociągu stalowego. Przedstawiono widma impedancyjne następujących układów: elektroda odniesienia/elektrody pomocnicze; rurociąg/zakopane i przenośne elektrody odniesienia. Wykazano, że przy pomocy prezentowanej techniki można zbadać stan techniczny elektrod odniesienia, co...
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Hydrogen induced degradation of structural steel exposed to the technical liquid hydrocarbons
PublikacjaBadano degradacje stali 26H2MF w mieszaninach węglowodorów. Badania były prowadzone pod stałym obciążeniem i przy małej prędkości 10-6s-1
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Orientation effects on the fracture behaviour of additively manufactured stainless steel 316L subjected to high cyclic fatigue
PublikacjaIn this paper, stainless steel 316L (SS316L) bars were additively manufactured (AM) in three orientations (Z – vertical, XY – horizontal, ZX45 – midway between vertical and horizontal) by using the Laser Powder Bed Fusion Melting (LPBF-M) method. The AM specimens were subjected to load control fatigue testing under full tension and compression (R = -1) at stress amplitudes ±350, ±400 and ±450 MPa. The XY and ZX45 printing orientations...
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Fracture prediction in flat PMMA notched specimens under tension - effectiveness of the equivalent material concept and fictitious material concept
PublikacjaThe fracture of notched elements under mode I loading (tension) remains an inexhaustible research topic, especially when it comes to the fracture of thermoplastic materials such as polymethylmethacrylate (PMMA), which experience considerable plastic strains under tension. The paper points out that traditional brittle fracture criteria such as mean stress (MS) or maximum tangential stress (MTS) criteria used to predict this phenomenon do...
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Contact with coupled adhesion and friction: Computational framework, applications, and new insights
PublikacjaContact involving soft materials often combines dry adhesion, sliding friction, and large deformations. At the local level, these three aspects are rarely captured simultaneously, but included in the theoretical models by Mergel et al., (2019). We here develop a corresponding finite element framework that captures 3D finite-strain contact of two deformable bodies. This framework is suitable to investigate sliding friction even...
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The energy approach to fatigue crack growth of S355 steel welded specimens subjected to bending
PublikacjaThe study presents the results of the research on the rate of fatigue crack growth subjected to bending in the ferritic-pearlitic structure. The studies were carried out at a constant amplitude of the moment and at various values of the load ratios R and at the operating frequency of the machine of 28.4 Hz. Flat specimens made of S355 steel and with fillet welds and with double-sided blunt external notches as well as concave...
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Mitigation of the Flow Maldistribution in Minichannel and Minigap Heat Exchangers by Introducing Threshold in the Manifolds
PublikacjaIn the present paper, a detailed numerical investigation has been carried out to analyze the flow maldistribution in 50 parallel rectangular cross-section (1 mm depth and 1 mm width) minichannels and minigap section (1 mm depth and 99 mm width) with rectangular/trapezoidal manifolds in Z-type flow configuration. The author carried out numerical investigation with various mass flowrates, namely 0.05 kg/s, 0.1 kg/s and 0.2 kg/s which...
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Channel Blockage and Flow Maldistribution during Unsteady Flow in a Model Microchannel Plate heat Exchanger
PublikacjaThis paper describes the problem of channel blockage as a result of flow maldistribution between the channels of a model mini channel plate heat exchanger consisting of one pass on each leg. Each leg of the heat exchanger contains 51 parallel and rectangular minichannels of four hydraulic diameters namely 461 μm, 571 μm, 750 μm and 823 μm. In addition, a more complex geometry has been investigated where for the sake of breaking...
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Flexural buckling and post-buckling of columns made of aluminium alloy
PublikacjaThe paper concerns flexural buckling and initial post-buckling of axially compressed columns made of aluminium alloy described by the Ramberg-Osgood relationship. The non-linear differential equation of the problem is derived using the stationary total energy principle and the assumptions of classical beam theory within a finite range. The approximate analytical solution of the equation leading to the buckling loads and initial...
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Development and test of fex, a fingers extending exoskeleton for rehabilitation and regaining mobility
PublikacjaThis paper presents the design process of an exoskeleton for executing human fingers' extension movement for the rehabilitation procedures and as an active orthosis purposes, together with its first clinical usability tests of a robotic exoskeleton. Furthermore, the Fingers Extending eXoskeleton (FEX) is a serial, under-actuated mechanism capable of executing fingers' extension. FEX is based on the state-of-art FingerSpine serial...
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Effects of Xanthan Gum Biopolymer on the Permeability, Odometer, Unconfined Compressive and Triaxial Shear Behavior of a Sand
PublikacjaBiopolymers, which are microbially induced polymers, can be used as an alternative material to improve engineering performance of soils. In this paper, a laboratory study of 0.075-1.0 mm size sand and biopolymer (i.e., xanthan gum) mixtures with various mix ratios (0%, 0.5%, 1.0%, and 1.5%) was performed. The materials, specimen preparation, and test methods are described, as are the results of a suite of permeability, odometer, unconfined...
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Enhanced energy conversion as a result of fluid-solid interaction in micro- and nanoscale
PublikacjaIt is known that nano- and micromechanics require new approaches to right describing of surface-like phenomena which lead to an enhanced energy conversion. In this work, a general form of surface forces that consist of a contribution from both the friction and mobility components has been extended to collect the effects of bulk and surface motion of a fluid. Quite similar impact can be observed for a solid-fluid mixture, where...
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Polyester sail technical woven fabric behaviour under uniaxial and biaxial tensile tests
PublikacjaThe paper is focused on the identification of mechanical properties of a sail technical woven fabric (yacht sailcloth polyester) style 480 AP with MTO (Medium Tempered Optimized) finish. The non-linear elastic behaviour of the fabric applied for sails is investigated under uniaxial and biaxial tensile tests. Comparison of non-linear elastic parameters with others polyester coated fabrics is made. This paper is intended to be an...
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A PRELIMINARY STUDY ON THE OPTIMAL CHOICE OF AN IMPLANT AND ITS ORIENTATION IN VENTRAL HERNIA REPAIR
PublikacjaThis paper addresses the problem of ventral hernia repair. The main goals are to find an optimal surgical mesh for hernia repair and to define its optimal orientation in the abdominal wall to minimise the maximum force at the tissue-implant juncture. The optimal mesh is chosen from a set of orthotropic meshes with different stiffness ratios for typical hernia placement in the abdominal area. The implant is subjected to an anisotropic...
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ADAPTATION OF ENGINEERING FEA-BASED ALGORITHMS TO LCF FAILURE AND MATERIAL DATA PREDICTION IN OFFSHORE DESIGN
PublikacjaThere is an ever growing industrial demand for quantitative assessment of fatigue endurance of critical structural details. Although FEA-based calculations have become a standard in engineering design, problems involving the Low-To-Medium cycle range (101-104) remain challenging. This paper presents an attempt to optimally choose material data, meshing density and other algorithm settings in the context of recent design of the...
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Modeling of Composite Shells in 6-Parameter Nonlinear Theory with Drilling Degree of Freedom
PublikacjaWithin the framework of a 6-parameter nonlinear shell theory, with strain measures of Cosserat type, constitutive relations are proposed for thin elastic composite shells. The material law is expressed in terms of five engineering constants of classical anisotropic continuum plus an additional parameter accounting for drilling stiffness. The theory allows for unlimited displacements and rotations. A number of examples are presented...
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Modelling and analysis of beam/bar structure by application of bond graphs
PublikacjaThe paper presents an uniform, port-based approach to modelling of beam/bar systems (trusses). Port-based model of such distributed parameter system has been defined by application of the bond graph methodology and the distributed transfer function method (DTFM). The proposed method of modelling enables to formulate input data for computer analysis by application of the DTFM. The constructed computational package enables the frequency...
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On the Buckling Response of Axially Pressurized Nanotubes Based on a Novel Nonlocal Beam Theory
PublikacjaIn the present study, the buckling analysis of single-walled carbon nanotubes (SWCNT) on the basis of a new refined beam theory is analyzed. The SWCNT is modeled as an elastic beam subjected to unidirectional compressive loads. To achieve this aim, the new proposed beam theory has only one unknown variable which leads to one equation similar to Euler beam theory and is also free from any shear correction factors. The equilibrium...
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Buckling Analysis of a Micro Composite Plate with Nano Coating Based on the Modified Couple Stress Theory
PublikacjaThe present study investigates the buckling of a thick sandwich plate under the biaxial non-uniform compression using the modified couple stress theory with various boundary conditions. For this purpose, the top and bottom faces are orthotropic graphene sheets and for the central core the isotropic soft materials are investigated. The simplified first order shear deformation theory (S-FSDT) is employed and the governing differential...
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Modelling of strain localization in quasi-brittle materials with coupled elasto-plastic-damage model
PublikacjaW artykule przedstawiono wyniki numerycznej dla zginania belki betonowej przy zastosowaniu połączonego modelu sprężysto-plastycznego z degradacja sztywności. Do opisu rys, model rozszerzono o nielokalność.
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Calculations of fracture process zones on meso-scale in notched concrete beams subjected to three-point bending.
PublikacjaW artykule przedstawiono wyniki numeryczne MES modelowanie belek betonowych z nacięciem na poziomie skali mezo. Beton został opisany na poziomie skali mezo jako stochastyczny materiał 3-składnikowy złożony z kruszywa, zaczynu cementowego oraz stref kontaktu. Obliczenia wykonano przy wykorzystaniu modelu degradacji sztywności z nielokalnym osłabieniem. Zbadano wpływ stochastycznego rozkładu kruszywa, średnicy, kształtu oraz zagęszczenia...
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Experimental and numerical investigations of concrete behaviour at meso-level during quasi-static splitting tension.
PublikacjaArtykuł omawia wyniki numeryczne dotyczące pękania betonu uzyskane stosując metodę elementów dyskretnych. Dwuwymiarowe obliczenia wykonano dla próbek betonowych podczas rozłupywania. Beton został opisany jako model 4-fazowy. Mikrostruktura betonu odpowiadała zdjęciom tomograficznym. Zbadano wpływ warunków brzegowych na proces pękania. W obliczeniach zwrócono uwagę na porzebieg zjawisk mikrostrukturalnych przebieg pękania. Wyniki...
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Boundary effects on behaviour of granular material during plane strain compression
PublikacjaW artykule przedstawiono wyniki symulacji lokalizacji odkształceń w materiałach granulowanych podzcas sciskania dwuosiowego. Obliczenia wykonano przy zastosowaniu metody elementów skończonych i mikropolarnego modelu hipoplastycznego. W pracy pokazano wpływ warunków brzegowych na globalne i loklane zachowanie sie materiału.
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Discrete element method simulations of fracture in concrete under uniaxial compression based on its real internal structure
PublikacjaThe paper describes experimental and numerical results of concrete fracture under quasi-static uniaxial compression. Experimental uniaxial compression tests were performed on concrete cubic specimens. Fracture in concrete was detected at the aggregate level by means of three non-destructive methods: three-dimensional X-ray microcomputed tomography, two-dimensional scanning electron microscope and manual two-dimensional digital...
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Metoda prognozowania mocy skrawania przy przecinaniu piłami polskiego drewna sosnowego z uwzględnieniem wiązkości materiału obrabianego
PublikacjaW pracy zostały przedstawione wartości właściwości materiałowych tj.: wiązkość R oraz naprężenia tnące w strefie skrawania τy, dla drewna sosnowego (Pinus sylvestris L.). Badane próbki drewna pochodziły z czterech Krain Przyrodniczo - Leśnych Polski: Bałtyckiej Krainy Przyrodniczo - Leśnej (kraina A), Karpackiej Krainy Przyrodniczo - Leśnej (kraina B), Małopolskiej Krainy Przyrodniczo - Leśnej (kraina C) oraz Wielkopolsko - Pomorskiej...
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Theoretical and Experimental Studies on the Visible Light Activity of TiO2 Modified with Halide-Based Ionic Liquids
PublikacjaFormation of a surface complex between organic molecules and TiO2 is one of the possible strategies for the development of visible light-induced TiO2 photoactivity. Herein, three ionic liquids (ILs) with the same cation and dierent anions (1-butylpirydynium chloride/bromide/iodide) have been applied for the surface modification of TiO2 and to understand the role of anions in visible light-induced activity of ILs-TiO2 systems. Photocatalytic...
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The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?
PublikacjaPreorganization of large, directionally oriented, electric fields inside protein active sites has been proposed as a crucial contributor to catalytic mechanism in many enzymes, and it may be efficiently investigated at the atomistic level with molecular dynamics simulations. Here, we evaluate the ability of the AMOEBA polarizable force field, as well as the additive Amber ff14SB and Charmm C36m models, to describe the electric...
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Effect of copper and silver modification of NH2-MIL-125(Ti) on the photoreduction of carbon dioxide to formic acid over this framework under visible-light irradiation
PublikacjaCu and Ag enhance the photocatalytic activities of metal–organic frameworks (MOFs) toward CO2 conversion because of their CO2 adsorption capacities and effects on the lowest unoccupied molecular orbital (LUMO) overpotentials of MOFs. However, to date, targeted introduction of metals into MOFs to achieve visible (Vis)- light-active photocatalysts for CO2 photoconversion has not been realized. Herein, a series of aminefunctionalized...
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Why Are Left-Handed G-Quadruplexes Scarce?
PublikacjaG-quadruplexes (G4s) are nucleic acid structures crucial for the regulation of gene expression and genome maintenance. While they hold promise as nanodevice components, achieving desired G4 folds requires understanding the interplay between stability and structural properties, like helicity. Although right-handed G4 structures dominate the experimental data, the molecular basis for this preference over left-handed helicity is unclear....
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Visible-light-driven lanthanide-organic-frameworks modified TiO2 photocatalysts utilizing up-conversion effect
PublikacjaHighly efficient and quite stable composite with core-shell-like architecture reported herein, responds to the challenge of sunlight-driven photocatalysts. The Ln(ndc)/TiO2 photocatalytic system comprises active lanthanide-carboxylate coordination networks (Nd, Er, Ho, and Tm as metal ions, and 2,6-naphthalene dicar-boxylic acid as the organic linker) and inert titanium dioxide and allow to convert incompatible visible radiation...
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Soft X-ray Induced Production of Neutral Fragments in High-Rydberg States at the O 1s Ionization Threshold of the Water Molecule
PublikacjaDissociation of water molecules after soft X-ray absorption can yield neutral fragments in high-Rydberg (HR) states. We have studied the production of such fragments by field ionization and ion time-of-flight (TOF) spectrometry. Neutral HR fragments are created at all resonances below the O 1s ionization potential (IP) and particularly within 1 eV above the O 1s IP. The latter effect is due to the recapture of the O 1s photoelectrons...
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Comparison of simplified sum-over-state expressions to calculate resonance Raman intensities including Franck-Condon and Herzberg-Teller effects
PublikacjaSum-over-state (SOS) expressions to simulate absorption spectroscopy and resonance Raman (RR) scattering including Franck-Condon (FC) and Herzberg-Teller (HT) effects are described. Starting from the general SOS method, several simplified SOS formulae are derived. In particular, within the so-called independent mode displaced harmonic oscillator model, it is shown that including the vibronic structure in the absorption and RR spectra...
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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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Distributed Representations Based on Geometric Algebra: the Continuous Model
PublikacjaAuthors revise the concept of a distributed representation of data as well as two previously developed models: Holographic Reduced Representation (HRR) and Binary Spatter Codes (BSC). A Geometric Analogue (GAc - ''c'' stands for continuous as opposed to its discrete version) of HRR is introduced - it employs role-filler binding based on geometric products. Atomic objects are real-valued vectors in n-dimensional Euclidean space...
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Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy
PublikacjaThe thermally induced self-healing mechanisms in metallopolymers based on bisterpyridine complexes of iron(II) sulfate and cadmium(II) bromide, respectively, were studied by means of combined quantum mechanical/molecular mechanical (QM/MM) simulations and Raman spectroscopy. Two possible healing schemes, one based on a decomplexation of the cross-linking complexes and a second one relying on the dissociation of ionic clusters,...
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Electromodulation of monomer and excimer phosphorescence in vacuum-evaporated films of platinum (II) complexes of 1,3-di(2-pyridyl)benzenes
PublikacjaElectric field-modulated photoluminescence (EML) measurements are presented for vacuum-evaporated films of cyclometallated Pt (II) complexes of 1,3-di(2-pyridyl) benzenes used as triplet emitters in organic light-emitting diodes (OLEDs). The excimer phosphorescence is quenched by the external electric field of 2.5 MV/cm up to 25% but the same effect on monomer phosphorescence is one order of magnitude smaller. The higher quenching...
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Theory versus experiment for vacuum Rabi oscillations in lossy cavities. II. Direct test of uniqueness of vacuum
PublikacjaThe paper continues the analysis of vacuum Rabi oscillations we started in part I [Phys. Rev. A 79, 033836 (2009)]. Here we concentrate on experimental consequences for cavity QED of two different classes of representations of harmonic-oscillator Lie algebras. The zero-temperature master equation, derived in part I for irreducible representations of the algebra, is reformulated in a reducible representation that models electromagnetic...
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Guanosine Dianions Hydrated by One to Four Water Molecules
PublikacjaIntermolecular interactions such as those present in molecule···water complexes may profoundly influence the physicochemical properties of molecules. Here, we carried out an experimental–computational study on doubly deprotonated guanosine monophosphate···water clusters, [dGMP – 2H]2–·nH2O (n = 1–4), using a combination of negative anion photoelectron spectroscopy (NIPES) with molecular dynamics (MD) and quantum chemical (QM) calculations....
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Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air
PublikacjaPartition coefficients define how a solute is distributed between two immiscible phases at equilibrium. The experimental estimation of partition coefficients in a complex system can be an expensive, difficult, and time-consuming process. Here a computational strategy to predict the distributions of a set of solutes in two relevant phase equilibria is presented. The octanol/water and octanol/air partition coefficients are predicted...
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Lead-free bismuth-based perovskites coupled with g–C3N4: A machine learning based novel approach for visible light induced degradation of pollutants
PublikacjaThe use of metal halide perovskites in photocatalytic processes has been attempted because of their unique optical properties. In this work, for the first time, Pb-free Bi-based perovskites of the Cs3Bi2X9 type (X = Cl, Br, I, Cl/Br, Cl/I, Br/I) were synthesized and subjected to comprehensive morphological, structural, and surface analyses, and photocatalytic properties in the phenol degradation reaction were examined. Furthermore,...
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Non-Perfect Propagation of Information to a Noisy Environment with Self-Evolution
PublikacjaWe study the non-perfect propagation of information for evolving a low-dimensional environment that includes self-evolution as well as noisy initial states and analyse the interrelations between the degree of objectivization and environment parameters. In particular, we consider an analytical model of three interacting qubits and derive its objectivity parameters. The numerical analysis shows that the quality of the spectrum broadcast...
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Photophysical processes in the selected white organic light-emitting diodes
PublikacjaThe first part discusses history of organic emitters, the scope of the work, phenomena in molecular systems, types of architectures in OLEDs, types of OLEDs emitting white light with examples from the literaturę and a description of the parameters chcracterizing LEDs. The second part describes materials, production of the samples, the measurement systems and results. In chapter 8.1 the results for the OLEDs based on emission from...
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublikacjaIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Activation Energy and Inclination Magnetic Dipole Influences on Carreau Nanofluid Flowing via Cylindrical Channel with an Infinite Shearing Rate
PublikacjaThe infinite shear viscosity model of Carreau fluid characterizes the attitude of fluid flow at a very high/very low shear rate. This model has the capacity for interpretation of fluid at both extreme levels, and an inclined magnetic dipole in fluid mechanics has its valuable applications such as magnetic drug engineering, cold treatments to destroy tumors, drug targeting, bio preservation, cryosurgery, astrophysics, reaction kinetics,...