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Search results for: THEORY VERSUS EXPERIMENT
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Low energy differential elastic electron scattering from acetonitrile (CH3CN)
PublicationMeasurements of elastic differential cross sections for electron scattering from acetonitrile (CH3CN) have been performed utilizing a crossed electron-molecular beam experiment and with the relative flow method, for the incident electron energy range of 0.7 eV–30 eV and the scattering angle range of 10◦–130◦. These differential cross sections have been used to calculate the elastic integral and momentum- transfer cross sections,...
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Oddziaływania taboru na mosty kolejowe przy zmiennych parametrach ruchu
PublicationW pracy poruszono zagadnienia związane z identyfikacją oraz modelowaniem układu dynamicznego most-pojazd ruchomy. Za element szczególnie istotny uznano czynnik obciążający. Opracowano i wdrożono metodykę identyfikacji cech dynamicznych rzeczywistego pojazdu szynowego. Eksperyment badawczy przeprowadzono dla jednostki trakcyjnej EN57, jednak nie ma żadnych ograniczeń w stosowaniu metody dla innego, konwencjonalnego taboru szynowego....
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Green function diagonal for a class of heat equations
PublicationA construction of the heat kernel diagonal is considered as element of generalized zeta function theory, which gradient at the origin defines determinant of a differential operator in a technique for regularizing quadratic path integral. Some classes of explicit expressions of the Green function in the case of finite-gap potential coefficient of the heat equation are constructed. An algorithm and program for Mathematica are presented...
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Speed sensorless asynchronous motor drive with inverter output lc filter
PublicationIn this paper a speed sensorless ac drive with inverter and output LC filter is proposed. A nonlinear, decoupled field oriented control algorithm with a flux and speed close-loop observer is used. In spite of using LC filter on the inverter output, the sensorless system works precisely. That result are obtained as a result of the appropriate estimation and control system use. The theory, simulation, and experimental results are...
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Expermental investigation on adsorption of methylene blue dye from waste water using corncob cellulose-based hydrogel
PublicationHydrogel from corncob cellulose was synthesized in this investigation. The synthesized Hydrogel was characterized by SEM, XRD, and FTIR instruments. As the results indicate the synthesized hydrogel has required and important features, these suggest the suitability of hydrogel for the adsorption of methylene blue dye (MBD). Three important process variables (dosage, contact time, and initial concentration) with three levels were...
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Design and Evaluation of the Compact and Autonomous Energy Subsystem of a Wave Energy Converter
PublicationThis paper presents the results of the design process focused on the development of the energy subsystem (ES) of a wave energy converter (WEC). The ES is an important electrical part that significantly affects the energy reliability and energy efficiency of the entire WEC device. The designed ES was intended for compact WECs powering IoT network devices working in the distributed grid. The developed ES is an electronic circuit...
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Long-term operating conditions for different sorption materials to capture phosphate from domestic wastewater
PublicationThis paper presents the results of a study on the possibility of applying various configured filters filled with a mixture of Rockfos® and Leca® material for the effective capture of phosphate from domestic wastewater. The tests were carried out for two years at two wastewater flow rates (20 and 40 L/day) in three pairs of filtration columns with a volume of filter material equal to 20 liters each. Columns 1A and 1B were filled...
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Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study
PublicationThe variable configuration of Raman spectroscopic platforms is one of the major obstacles in establishing Raman spectroscopy as a valuable physicochemical method within real-world scenarios such as clinical diagnostics. For such real world applications like diagnostic classification, the models should ideally be usable to predict data from different setups. Whether it is done by training a rugged model with data from many setups...
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Influence of a Lighting Column in the Working Width of a W-Beam Barrier on TB51 Crash Test
PublicationRoad equipment, such as, e.g., road safety barriers and lighting columns, are subject to certification according to the EN1317 standard to be allowed for use on European roads. In engineering practice, due to the terrain conditions, there are cases where other road equipment is installed within the working width of road safety barriers. Such situations are not considered during the certification process. Hence, the aim of this...
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The impact of internal and international migration on regional convergence in Poland
PublicationAccording to neoclassical theory, migration is expected to speed up the convergence process between countries (Barro, Sala-i-Martin 2004). The flow of labour from low-wage regions to high-wage regions should equalise payrolls. However, the impact of migration on convergence rates is unclear when the labour flow is heterogeneous. Moreover, the movement of labour towards wealthier areas depresses the demand for goods, services and...
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Studies on formation and percolation in ionic liquids/TX-100/water microemulsions
PublicationTernary microemulsion systems of H2O/Triton X-100/[BMIM][Tf2N], and H2O/Triton X-100/[BMIM][PF6] were prepared, compared and characterized for phase behavior for different water/surfactant ratios, at 25 °C. It was found that a change of an anion structure in the ionic liquids determines the total monophasic area of the systems. A liquid crystalline mesophase was detected in H2O/Triton X-100/[BMIM][PF6]. The microemulsion domains...
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Thin-walled frames and grids - statics and dynamics
PublicationFrames and grids assembled with thin-walled beams of open cross-section are widely applied in various civil engineering and vehicle or machine structures. Static and dynamic analysis of theses structures may be carried out by means of different models, startingfrom the classical models made of beam elements undergoing the Kirchhoff assumptions to the FE discretization of whole frame into plane elements. The former model is very...
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General solution of quantum mechanical equations of motion with time-dependent Hamiltonians: A Lie algebraic approach
PublicationThe unitary operators U(t), describing the quantum time evolution of systems with a time-dependent Hamiltonian, can be constructed in an explicit manner using the method of time-dependent invariants. We clarify the role of Lie-algebraic techniques in this context and elaborate the theory for SU(2) and SU(1,1). In these cases we give explicit formulae for obtaining general solutions from special ones. We show that the constructions...
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Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublicationTime-dependent density functional theory calcula- tions combinedwith the Marcus theory of electron transfer (ET) were app lied on the molecular photocatalys t [(tbbpy) 2 Ru(tpph z)PdC l 2 ] 2 + in order to elucidate thelight-in- duced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational resultsshow that after the initial excitation, metal (Ru) to ligand (tpphz)chargetransfer...
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Photoinduced electron transfer in 5-bromouracil labeled DNA. A contrathermodynamic mechanism revisited by electron transfer theories
PublicationThe understanding of the 5-bromouracil (BrU) based photosensitization mechanism of DNA damage is of large interest due to the potential applications in photodynamic therapy. Photoinduced electron transfer (ET) in BrU labeled duplexes comprising the 50 -GBrU or 50 -ABrU sequence showed that a much lower reactivity was found for the 50 -GBrU pattern. Since the ionization potential of G is lower than that of A, this sequence selectivity...
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Evolutionary benefits of personality traits when facing workplace bullying
PublicationFacing workplace bullying negatively affects physical and mental health, and consequently quality of life and well-being. Personality traits that can help an individual survive and reproduce entail more benefits than costs. Building on two evolutionary theories, Life History Theory and Costly Signaling Theory, this study aims to provide novel insights into how and why personality traits are associated with facing workplace bullying...
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Mechanism of Li nucleation at graphite anodes and mitigation strategies
PublicationLithium metal plating is a critical safety issue in Li-ion cells with graphite anodes, and contributes significantly to ageing, drastically limiting the lifetime and inducing capacity loss. Nonetheless, the nucleation mechanism of metallic Li on graphite anodes is still poorly understood. But in-depth understanding is needed to rationally design mitigation measures. In this work, we conducted FirstPrinciples studies to elucidate...
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An isogeometric finite element formulation for boundary and shell viscoelasticity based on a multiplicative surface deformation split
PublicationThis work presents a numerical formulation to model isotropic viscoelastic material behavior for membranes and thin shells. The surface and the shell theory are formulated within a curvilinear coordinate system,which allows the representation of general surfaces and deformations. The kinematics follow from Kirchhoff–Love theory and the discretization makes use of isogeometric shape functions. A multiplicative split of the surface...
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Application of nonmetallic frustrated cations in the activation of small molecules
PublicationThe concept of nonmetallic frustrated cations has been used in small molecule activation. The in situ generated ambiphilic phosphinoborinium cation activated phenyl isocyanate, diisopropylcarbodiimide, and acetonitrile under very mild conditions without any catalyst, yielding single-, double-, or mixed-activation products. Furthermore, the mechanisms of the reactions of the phosphinoborinium cation with small molecules were elucidated...
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Wydajność jako czynnik sukcesu przedsiębiorstwa wykorzystującego metodologię TOC na przykładzie zakładu produkującego beton komórkowy
PublicationAutorka pragnie skupić się na problemie wydajności i wykazać znaczenie narzędzi służących poprawie efektywności procesu produkcyjnego na przykładzie zakładu wytwarzającego beton komórkowy. Tezą postawioną w niniejszym referacie jest możliwość usprawnienia organizacji i logistyki produkcji poprzez wykorzystanie metody zarządzania, jaką jest Teoria Ograniczeń (ang. Theory of Constraints - TOC).
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Bell-Type Inequalities from the Perspective of Non-Newtonian Calculus
PublicationA class of quantum probabilities is reformulated in terms of non-Newtonian calculus and projective arithmetic. The model generalizes spin-1/2 singlet state probabilities discussed in Czachor (Acta Physica Polonica:139 70–83, 2021) to arbitrary spins s. For s → ∞ the formalism reduces to ordinary arithmetic and calculus. Accordingly, the limit “non-Newtonian to Newtonian” becomes analogous to the classical limit of a quantum theory
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Recognition of hazardous acoustic events employing parallel processing on a supercomputing cluster . Rozpoznawanie niebezpiecznych zdarzeń dźwiękowych z wykorzystaniem równoległego przetwarzania na klastrze superkomputerowym
PublicationA method for automatic recognition of hazardous acoustic events operating on a super computing cluster is introduced. The methods employed for detecting and classifying the acoustic events are outlined. The evaluation of the recognition engine is provided: both on the training set and using real-life signals. The algorithms yield sufficient performance in practical conditions to be employed in security surveillance systems. The...
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Multidimensional Scaling Analysis Applied to Music Mood Recognition
PublicationThe paper presents two experiments aimed at categorizing mood associated with music. Two parts of a listening test were designed and carried out with a group of students, most of whom where users of online social music services. The initial experiment was designed to evaluate the extent to which a given label describes the mood of the particular music excerpt. The second subjective test was conducted to collect the similarity data...
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Experimentation, material modelling and simulation of bonded joints with a flexible adhesive
PublicationThe paper deals with material parameters identification of a flexible adhesive and the numerical simulation of its behaviour in a single lap bonded joint. The material modelling was based on the simple shear and tensile-shear laboratory tests of the bonded joints made of thin aluminium and polyurethane plates with the flexible adhesive Terostat MS 9360 manufactured by Henkel AG & Co. The adhesive was considered as a hyperelastic...
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Electronic structure and time-dependent description of rotational predissociation of LiH
PublicationThe adiabatic potential energy curves of the ^1Sigma+ and ^1Pi states of the LiH molecule were calculated. They correlate asymptotically to atomic states, such as 2s + 1s, 2p + 1s, 3s + 1s, 3p + 1s, 3d + 1s, 4s + 1s, 4p + 1s and 4d + 1s. A very good agreement was found between our calculated spectroscopic parameters and the experimental ones. The dynamics of the rotational predissociation process of the 1^1Pi state were studied...
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The Application of Vibration Recording and Analysis in Tribological Research on Sliding Friction
PublicationThe paper reports on a tribological research on the macroscopic manifestation and characteristics of sliding friction. The aim of the task was to measure friction in lubricated sliding contacts and test the interactions between the environment (the test rig) and the experimental friction contact. Friction-induced vibrations were observed and studied as a manifestation of the process. The typical set of velocity and force/torque...
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Label‐free optical detection of cyclosporine in biological fluids
PublicationIn this paper, a spectroscopic method for determination of cyclosporine concentrations in biological fluids is presented. Blood plasma and hemoglobin solutions are chosen for the experiment. For various cyclosporine concentrations in blood plasma and hemoglobin, absorbance measurements in spectra range from 600 to 1100 nm are performed. The measurement results are analyzed by the use of a dedicated algorithm. The obtained data...
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Comparative analysis of spectral and cepstral feature extraction techniques for phoneme modelling
PublicationPhoneme parameter extraction framework based on spectral and cepstral parameters is proposed. Using this framework, the phoneme signal is divided into frames and Hamming window is used. The performances are evaluated for recognition of Lithuanian vowel and semivowel phonemes. Different feature sets without noise as well as at different level of noise are considered. Two classical machine learning methods (Naive Bayes and Support...
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Application of Multivariate Analysis Methods in Welding Engineering
PublicationPhenomena and processes taking place during welding are usually very complex and, for this reason, should be described using multivariate methods. The article discusses the methodological basis and selected application areas as regards the solving of welding problems using statistical multivariate methods. In addition, the article presents exemplary applications of the design of experiment, multiple regression analysis, cluster...
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Determination of the uncertainty of mass flow measurement using the orifice for different values of the Reynolds number
PublicationStandard orifice flowmeters are widely used in the chemical and energy industry. Therefore, it is essential to know how accurate the measurements made with these instruments are. The paper presents an estimation of measurement uncertainty of a liquid mass flow using the orifice plate. The authors will present the influence of ranges of the Reynolds number on the estimated uncertainty, obtained on the basis of simulation and laboratory...
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Four-point boundary-value problems for differential-algebraic systems
PublicationBadane są czteropunktowe problemy brzegowe dla układów równań różniczkowo-algebraicznych. Stosując metodę iteracji monotonicznych, podano warunki dostateczne na istnienie rozwiązań (jednego lub ekstremalnych) takich problemów. Podano przykład ilustrujacy otrzymane wyniki teoretyczne.
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Relations between the domination parameters and the chromatic index of a graph
PublicationIn this paper we show bounds for the sum and the product of the domination parameters and the chromatic index of a graph. We alsopresent some families of graphs for which these bounds are achieved.
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Efficient list cost coloring of vertices and/or edges of bounded cyclicity graphs
PublicationW artykule rozważamy listowo-kosztowe kolorowanie wierzchołków i krawędzi grafu w modelu wierzchołkowym, krawędziowym, totalnym i pseudototalnym. Stosujemy programowanie dynamiczne w celu otrzymania algorytmów wielomianowych dla drzew. Następnie uogólniamy to podejście na dowolne grafy z ograniczonymi liczbami cyklomatycznymi i na ich multikolorowania.
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Multiple solutions of boundary-value problems for fourth-order differential equations with deviating arguments
PublicationPraca dotyczy równań różniczkowych rzędu czwartego z warunkami brzegowymi i odchylonymi argumentami. Podano wystarczające warunki, dla których problemy dotyczące takich równań mają dodatnie rozwiązania. W pracy rozważa się przypadki kiedy argumenty odchylone są typu opóźnionego lub wyprzedzonego. W celu zapewnienia istnienia przynajmniej trzech dodatnich rozwiązań wykorzystano twierdzenie Avery-Petersona.
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Some remarks on the Euler ring U(G)
PublicationNiech G będzie zwartą grupą Liego i niech U(G) oznacza pierściń Eulera G skonstruoawany przez tom Diecka w [5,6]. Główny wynikpracy (Twierdzenie 4.1) opisuje homomorfizm pierścienia U(SO(3)) w pierścień U(SO(2))indukowany przez włożenie grupy SO(2) w grupę SO(3).
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Low-dimensional bound entanglement with one-way distillable cryptographic key
PublicationIn this paper, we provide a class of bound entangled states that have positive distillable secure key rate. The smallest state of this kind is 4 circle times 4, which shows that peculiar security contained in bound entangled states does not need high-dimensional systems. We show that for these states a positive key rate can be obtained by one-way Devetak-Winter (DW) protocol. Subsequently, the volume of bound entangled key-distillable...
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Quantum key distribution based on private states: Unconditional security over untrusted channels with zero quantum capacity
PublicationIn this paper, we prove unconditional security for a quantum key distribution (QKD) protocol based on distilling pbits (twisted ebits) from an arbitrary untrusted state that is claimed to contain distillable key. Our main result is that we can verify security using only public communication-via parameter estimation of the given untrusted state. The technique applies even to bound-entangled states, thus extending QKD to the regime...
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Minimum vertex ranking spanning tree problem for chordal and proper interval graphs
PublicationW pracy rozważamy problem szukania, dla danego grafu prostego, drzewa spinającego, którego uporządkowana liczba chromatyczna jest minimalna. K.~Miyata i inni dowiedli w [Np-hardness proof and an approximation algorithm for the minimum vertex ranking spanning tree problem,Discrete Appl. Math. 154 (2006) 2402-2410], że odpowiedni problem decyzyjny jest NP-trudny już w przypadku pytania o istnienie uporządkowanego 4-pokolorowania....
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Squashed entanglement for multipartite states and entanglement measures based on the mixed convex roof
PublicationNew measures of multipartite entanglement are constructedbased on two definitions of multipartite information anddifferent methods of optimizing over extensions of the states. Oneis a generalization of the squashed entanglement where one takesthe mutual information of parties conditioned on the state's extensionand takes the infimum over such extensions. Additivity ofthe multipartite squashed entanglement is proved for both versionsof...
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Cooperative mobile guards in grids
PublicationPraca dotyczy problemu strzeżenia dwuwymiarowych krat ortogonalnych, przy założeniu, że obszar widoczności strażnika obejmuje jedną ulicę oraz wszystkie ulice ją przecinające. Rozważano wariant straży słabo współpracujących, w którym dodatkowo każdy strażnik musi widzieć przynajmniej jednego innego strażnika. Podano dowód NP-trudności problemu optymalizacyjnego w przypadku ogólnym, algorytm dokładny o złożoności O(n log n) dla...
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Weakly connected domination subdivision numbers
PublicationLiczba podziału krawędzi dla dominowania słabo spójnego to najmniejsza liczba krawędzi jaką należy podzielić, aby wzrosła liczba dominowania słabo wypukłego. W pracy przedstawione są własności liczby podziału krawędzi dla dominowania słabo spójnego dla różnych grafów.
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Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations
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Dynamic Formation and Breaking of Disulfide Bonds in Molecular Dynamics Simulations with the UNRES Force Field
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Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins
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Implementation of a Serial Replica Exchange Method in a Physics-Based United-Residue (UNRES) Force Field
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Improvement of the Treatment of Loop Structures in the UNRES Force Field by Inclusion of Coupling between Backbone- and Side-Chain-Local Conformational States
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Implementation of Molecular Dynamics and Its Extensions with the Coarse-Grained UNRES Force Field on Massively Parallel Systems: Toward Millisecond-Scale Simulations of Protein Structure, Dynamics, and Thermodynamics
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Boundary value problems for ordinary differential equations with deviated arguments
PublicationDyskutowane są równania różniczkowe z dwupunktowym nieliniowym warunkiem brzegowym z argumentami typu odchylonego. Podano warunki dostateczne które gwarantują iż problem wyjściowy ma kwazi-rozwiązania. Podano też warunki przy których problem ten ma rozwiązanie. Wyniki uzyskano stosując metodę iteracji monotonicznych.Badano też pewne nierówności różniczkowe z odchylonymi argumentami.
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Trees with equal restrained domination and total restrained domination numbers
PublicationW publikacji scharakteryzowano wszystkie drzewa, w których liczby dominowania powściągniętego oraz podwójnie totalnego są sobie równe.
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Efficient list cost coloring of vertices and/or edges of bounded cyclicity graphs
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