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Search results for: QUANTUM DYNAMICS, NUMERICAL METHODS, TIME-DEPENDENT HAMILTONIAN, COUPLED SCHRÖDINGER EQUATIONS, FIELD-MOLECULE INTERACTION, PHOTOASSOCIATION, POWER-LAW DECAY, DIATOMIC MOLECULE, SPIN-ORBIT COUPLING, TRANSITION DIPOLE MOMENT
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Cosmic-Time Quantum Mechanics and the Passage-of-Time Problem
PublicationA new dynamical paradigm merging quantum dynamics with cosmology is discussed.
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Near Field Coupled Wireless Microwave Sensor
PublicationThis paper presents a wireless planar microwave sensor operating at industrial scientific and medical (ISM) frequency for the detection of dielectric materials. The microwave sensor consists of a reader (ground defected microstrip coupled line) and a passive tag where a complementary split-ring resonator (CSRR) is made on the commercially available copper-foil. The CSRR is a peel-off type tag that is excited using the near field...
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Electron Elastic Collisions with C3F6 Molecule
PublicationObliczono różniczkowy i scałkowany przekrój czynny na zderzenia elektronu z molekułą C3F6 w zakresie średnich i wysokich energii (50-1000eV). Obliczenia wykonano stosując metodę atomów niezależnych. Stwierdzono dobrą zgodność z wynikami oszacowanymi na podstawie eksperymentu.
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Quantum corrections to phi^4 model solutions and applications to Heisenberg chain dynamics
PublicationThe Heisenberg spin chain is considered in φ^4 model approximation. Quantum corrections to classical solutions of the one-dimensional φ^4 model within the correspondent physics are evaluated with account of rest d−1 dimensions of a d-dimensional theory. A quantization of the model is considered in terms of spacetime functional integral. The generalized zeta-function formalism is used to renormalize and evaluate the functional integral...
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Approximate solution for Euler equations of stratified water via numerical solution of coupled KdV system
PublicationWe consider Euler equations with stratified background state that is valid for internal water waves. The solution of the initial-boundary problem for Boussinesq approximation in the waveguide mode is presented in terms of the stream function. The orthogonal eigenfunctions describe a vertical shape of the internal wave modes and satisfy a Sturm-Liouville problem. The horizontal profile is defined by a coupled KdV system which is...
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Modelling the time-dependent behaviour of soft soils
PublicationTime-dependence of soft soils has already been thoroughly investigated. The knowledge on creep and relaxation phenomena is generally available in the literature. However, it is still rarely applied in practice. Regarding the organic soils, geotechnical engineers mostly base their calculations on the simple assumptions. Yet, as presented within this paper, the rate-dependent behaviour of soft soils is a very special and important...
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Multimode systems of nonlinear equations: derivation, integrability, and numerical solutions
PublicationWe consider the propagation of electromagnetic pulses in isotropic media taking a third-order nonlinearityinto account. We develop a method for transforming Maxwell's equations based on a complete set ofprojection operators corresponding to wave-dispersion branches (in a waveguide or in matter) with thepropagation direction taken into account. The most important result of applying the method is a systemof equations describing the...
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Nonlinear Modeling in Time Domain Numerical Analysis of Stringed Instrument Dynamics
PublicationMusical instruments are very various in terms of sound quality with their timbre shaped by materials and geometry. Materials' impact is commonly treated as dominant one by musicians, while it is unclear whether it is true or not. The research proposed in the study focuses on determining influence of both these factors on sound quality based on their impact on harmonic composition. Numerical approach has been chosen to allowed independent...
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Monotone and numerical analytic- methods for differential equations.
PublicationPraca dotyczy problemu różniczkowo-całkowego (typu Fredholma) z ogólnym warunkiem początkowo-brzegowo-całkowym. W pierwszej części pracy, stosując metodę iteracji monotonicznych, sformułowano warunki dostateczne które gwarantują, że dyskutowany problem ma rozwiązanie ekstremalne w zbiorze generowanym przez dolne i górne rozwiązania. Rozważania teoretyczne poparto przykładem i dyskusją. W drugiej części pracy zastosowano metodę...
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Numerical solution of threshold problems in epidemics and population dynamics
PublicationA new algorithm is proposed for the numerical solution of threshold problems in epidemics and population dynamics. These problems are modeled by the delay-differential equations, where the delay function is unknown and has to be determined from the threshold conditions. The new algorithm is based on embedded pair of continuous Runge–Kutta method of order p = 4 and discrete Runge–Kutta method of order q = 3 which is used for the...
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A dipole-driven path for electron and positron attachments to gas-phase uracil and pyrimidine molecules: a quantum scattering analysis
PublicationElectron and positron scattering processes in the gas-phase are analysed for uracil and pyrimidine molecules using a multichannel quantum approach at energies close to threshold. The special effects on the scattering dynamics induced by the large dipole moments in both molecules on the spatial features of the continuum leptonic wavefunctions are here linked to the possible bound states of the Rydberg-like molecular anions or ‘positroned’...
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Numerical investigation of multiphase blood flow coupled with lumped parameter model of outflow
PublicationPurpose The purpose of this paper is the application of the computational fluid dynamics model simulating the blood flow within the aorta of an eight-year-old patient with Coarctation of Aorta. Design/methodology/approach The numerical model, based on commercial code ANSYS Fluent, was built using the multifluid Euler–Euler approach with the interaction between the phases described by the kinetic theory of granular flow (KTGF). Findings A...
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Linear and nonlinear Stark effect in a triangular molecule
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Electron collision with sulfuryl chloride (SO2Cl2) molecule
PublicationStosując liniową metodę transmisyjną zmierzono całkowite przekroje czynne (TCS) na zderzenie elektronów z drobinami SO2Cl2 w zakresie energii 0.5-150 eV. Stwierdzono obecność głębokiego minimum przy ok. 1.8 eV i szerokiego maksimum w pobliżu 9.5 eV. Przeprowadzono porównanie z dostępnymi wynikami dla innych związków zawierających grupę sulfonową.
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On time-dependent nonlinear dynamic response of micro-elastic solids
PublicationA new approach to the mechanical response of micro-mechanic problems is presented using the modified couple stress theory. This model captured micro-turns due to micro-particles' rotations which could be essential for microstructural materials and/or at small scales. In a micro media based on the small rotations, sub-particles can also turn except the whole domain rotation. However, this framework is competent for a static medium....
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THIRD-ORDER EXPONENTIAL INTEGRATOR FOR LINEAR KLEIN–GORDON EQUATIONS WITH TIME AND SPACE-DEPENDANT MASS
PublicationAllowing for space- and time-dependance of mass in Klein–Gordon equations re- solves the problem of negative probability density and of violation of Lorenz covariance of interaction in quantum mechanics. Moreover it extends their applicability to the domain of quantum cosmology, where the variation in mass may be accompanied by high oscillations....
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THIRD-ORDER EXPONENTIAL INTEGRATOR FOR LINEAR KLEIN–GORDON EQUATIONS WITH TIME AND SPACE-DEPENDANT MASS
PublicationAllowing for space- and time-dependance of mass in Klein–Gordon equations re- solves the problem of negative probability density and of violation of Lorenz covariance of interaction in quantum mechanics. Moreover it extends their applicability to the domain of quantum cosmology, where the variation in mass may be accompanied by high oscillations....
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Time Dependent Influence of Rotating Magnetic Field on Bacterial Cellulose
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Numerical methods for systems of nonlinear differential functional equations
PublicationPraca dotyczy zagadnień początkowo brzegowych dla nieliniowych układów różniczkowo funkcyjnych. Rozważana jest aproksymacja rozwiązań rozważanego problemu różniczkowo funkcyjnego przez rozwiązania odpowiedniego problemu różnicowego. W pracy analizowana jest zbieżność prezentowanych metod. Dowód zbieżności opiera się na technice porównawczej z nieliniowym oszacowaniem typu Perron'a dla danych operatorów.
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Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods
PublicationThe understanding and interpretation of experimental resonance Raman (RR) spectra can strongly benefit from theoretical simulations. These can be achieved by combining quantum chemistry (QC) methods to calculate the electronic and vibrational molecular properties, together with appropriate models and approximations to compute the Raman intensities. This chapter presents the main and most commonly employed approaches to calculate...
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Equations with Separated Variables on Time Scales
PublicationWe show that the well-known theory for classical ordinary differential equations with separated variables is not valid in case of equations on time scales. Namely, the uniqueness of solutions does not depend on the convergence of appropriate integrals.
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Dehydrogenation in electron-induced dissociative ionization of pyridine molecule
PublicationThe electron-impact dissociative ionization of pyridine has been investigated using mass spectrometry. Thirty-two well-resolved mass peaks have been identified in the cation mass spectra and assigned to the most likely ionic molecular fragments. The new sixteen ionic fragments' appearance energies have been determined, and sixteen others remeasured. The total cross-section for electron-impact ionization of pyridine has been measured...
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Polarisation effects in low-energy positron–molecule scattering
PublicationThe UK molecular R-matrix method has been adapted to treat positron collisions from polyatomic targets. A simple empirical enhancement factor which corrects for the underestimation of electron–positron polarisation and correlation effects in the calculations performed with the static-plus-polarization model at low scattering energies is presented. Application of this model to positron scattering from carbon dioxide at energies...
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Debonding of coin-shaped osseointegrated implants: Coupling of experimental and numerical approaches
PublicationWhile cementless implants are now widely used clinically, implant debonding still occur and is difficult to anticipate. Assessing the biomechanical strength of the bone–implant interface can help improving the understanding of osseointegration phenomena and thus preventing surgical failures. A dedicated and standardized implant model was considered. The samples were tested using a mode III cleavage device to assess the mechanical...
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Highly-Compact Dual-Band Bandpass Waveguide Filter Based on Cross-Shaped Frequency-Dependent Coupling
PublicationThis work reports the design of an original class of highly-compact dual-band bandpass filter based on dual-mode waveguide resonators inter-coupled through a novel type of frequency-dependent coupling (FDC). The devised FDC consists of a cross-shaped metallic structure placed in the broad wall of a rectangular waveguide. This FDC produces two additional poles and three extra transmission zeros (TZs). Specifically, each pole is...
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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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Termodynamics of quantum information systems - Hamiltonian description.
PublicationPrzy użyciu podejścia hamiltonowskiego wyprowadzono wzór na pracę dla układów kwantowych zanurzonych w ciepłym otoczeniu.
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Inline Waveguide Filter With Compact Frequency-Dependent Coupling Producing Two Additional Poles and Three Transmission Zeros
PublicationThis work reports a compact frequency-dependent coupling (FDC) structure introduced in a rectangular waveguide, which allows to generate two additional in-band transmission poles and three transmission zeros (TZs). This serves to increase the order/selectivity of the waveguide bandpass filter in a compact inline topology, thus without the need for any additional space/volume or cross coupling. The proposed FDC consists of a partial-height...
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Beyond the helium buffer: 12C−2 rotational cooling in cold traps with H2 as a partner gas: interaction forces and quantum dynamics
Publicationabstract = { The scattering cross-sections and corresponding rate coefficients for rotationally inelastic collisions of $^{12}$C$_2$^-$ ($^2 \Sigma_g^+$) with H$_2$ ($^1 \Sigma_g^+$) are presented over a broad range of cold-trap temperatures. They have been calculated using quantum scattering theory that employs a new ab initio potential energy surface. The rate coefficients for the inelastic processes in the anionic partner are...
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Power System Dynamics. Stability and Control. 3rd edition
PublicationComprehensive, state-of-the-art review of information on the electric power system dynamics and stability. It places the emphasis first on understanding the underlying physical principles before proceeding to more complex models and algorithms. The book explores the influence of classical sources of energy, wind farms and virtual power plants, power plants inertia and control strategy on power system stability. The book cover...
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Balance errors in numerical solutions of shallow water equations
PublicationThe analysis of the conservative properties of the shallow water equations is presented in the paper. The work focuses on the consistency of numerical solution of these equations with the conservation laws of mass and momentum. The investigations involve two different conservative forms which are solved by an implicit box scheme. The theoretical analysis supported by numerical experiments is carried out for rectangular channel...
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DEVELOPMENT OF A COUPLED NUMERICAL AND EXPERIMENTAL APPROACH TO HYDRODYNAMIC NOISE ESTIMATION
PublicationThe hydroacoustic signature of ships' propellers can be estimated experimentally through measurements of cavitation-induced pressure fluctuations and the corresponding noise distributions at model scale. These measurements need to be performed in a cavitation tunnel under the propellers operating conditions and are quite sensitive and challenging to perform with sufficient accuracy. In comparison, the numerical approach can be...
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Modelling and simulations in time-fractional electrodynamics based on control engineering methods
PublicationIn this paper, control engineering methods are presented with regard to modelling and simulations of signal propagation in time-fractional (TF) electrodynamics. That is, signal propagation is simulated in electromagnetic media described by Maxwell’s equations with fractional-order constitutive relations in the time domain. We demonstrate that such equations in TF electrodynamics can be considered as a continuous-time system of...
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Numerical simulation of screw displacement pile interaction with non-cohesive soil
PublicationA trial numerical simulation of screw displacement pile interaction with non-cohesive subsoil during the transfer of compression load. The simulation was carried out in an axisymmetric system. The technological phases of pile installation in the ground were numerically modelled using equivalent processes which provided similar effects to real technical actions. The results of the numerical calculations were verified by comparing...
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Symmetry-controlled negative differential resistance effect in a triangular molecule
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Generalized Zero Range Potentials and Multichannel Electron Molecule Scattering.
PublicationZagadnienie o rozpraszaniu elektronów na molekułach rozwiązuje się w sposób jawny w modelu potencjałów o zerowym promieniu. Uwzględniając stany wzbudzone wprowadzamy potencjał macierzowy. Dla przykładu stanów wibracyjnych e+H_2 porównujemy wyniki obliczeń przekrojów czynnych z innymi (ab initio) oraz z doświadczeniem.
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Frequency-Variant Double-Zero Single-Pole Reactive Coupling Networks for Coupled-Resonator Microwave Bandpass Filters
PublicationIn this work, a family of frequency-variant reactive coupling (FVRC) networks is introduced and discussed as new building blocks for the synthesis of coupled-resonator bandpass filters with real or complex transmission zeros (TZs). The FVRC is a type of nonideal frequency-dependent inverter that has nonzero elements on the diagonal of the impedance matrix, along with a nonlinear frequency-variation profile of its transimpedance...
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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
PublicationDissociation 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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O 1s excitation and ionization processes in the CO2 molecule studied via detection of low-energy fluorescence emission
PublicationOxygen 1s excitation and ionization processes in the CO2 molecule have been studied with dispersed and non-dispersed fluorescence spectroscopy as well as with the vacuum ultraviolet (VUV) photon-photoion coincidence technique. The intensity of the neutral O emission line at 845 nm shows particular sensitivity to core-to-Rydberg excitations and core-valence double excitations, while shape resonances are suppressed. In contrast,...
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Long-distance quantum communication over noisy networks without long-time quantum memory
PublicationThe problem of sharing entanglement over large distances is crucial for implementations of quantum cryptography. A possible scheme for long-distance entanglement sharing and quantum communication exploits networks whose nodes share Einstein-Podolsky-Rosen (EPR) pairs. In Perseguers et al. [Phys. Rev. A 78, 062324 (2008)] the authors put forward an important isomorphism between storing quantum information in a dimension D and transmission...
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Effective highly accurate time integrators for linear Klein-Gordon equations across the scales
PublicationWe propose an efficient approach for time integration of Klein-Gordon equations with highly oscillatory in time input terms. The new methods are highly accurate in the entire range, from slowly varying up to highly oscillatory regimes. Our approach is based on splitting methods tailored to the structure of the input term which allows us to resolve the oscillations in the system uniformly in all frequencies, while the error constant...
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Effective highly accurate time integrators for linear Klein-Gordon equations across the scales
PublicationWe propose an efficient approach for time integration of Klein-Gordon equations with highly oscillatory in time input terms. The new methods are highly accurate in the entire range, from slowly varying up to highly oscillatory regimes. Our approach is based on splitting methods tailored to the structure of the input term which allows us to resolve the oscillations in the system uniformly in all frequencies, while the error constant...
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Computer Assisted Proof of the Existence of a Periodic Orbit in the Rössler Equations
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A new optimal algorithm for a time-dependent scheduling problem
PublicationIn this article a single machine time-dependent scheduling problem with total completion time criterion is considered. There are n given jobs j_1, ..., j_n and the processing time pi of the i-th job is given by p_i = 1 + b_is_i, where si is the starting time of the i-th job, i = 1, ..., n. If all jobs have different and non-zero deterioration rates and bi > bj => bi >= (b_min+1)/(b_min) b_j + 1/b_min, where b_min = min{b_i}, then...
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Dynamics of Field Line Mappings in Magnetic Flux Tubes
PublicationWe study the topological constraints on the dynamics of magnetic field lines in flux tubes. Our approach is based on the application of the topological invariant: fixed point index. We consider periodic flux tubes and find various restrictions on the field lines that come from the sequence of fixed point indices of iterations. We also analyze the case of a tube with a cylindrical obstacle, deducing some special dynamical properties...
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Capturing nonexponential dynamics in the presence of two decay channels
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Interaction of Ionomers and Polyelectrolytes with Divalent Transition Metal Cations (Cu2+ and VO2+): A Study by Electron Spin Resonance (ESR) Spectroscopy and Viscosimetry
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Minimization of a ship's magnetic signature under external field conditions using a multi-dipole model
PublicationThe paper addresses the innovative issue of minimizing the ship's magnetic signature under any external field conditions, i.e., for arbitrary values of ambient field modulus and magnetic inclination. Varying values of the external field, depending on the current geographical location, affect only the induced part of ship's magnetization. A practical problem in minimizing the ship signature is separating permanent magnetization...
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A FPTAS for minimizing total completion time in a single machine time-dependent scheduling problem
PublicationIn this paper a single machine time-dependent scheduling problem with total completion time criterion is considered. There are given n jobs J1,…,Jn and the processing time pi of the ith job is given by pi=a+bisi, where si is the starting time of the ith job (i=1,…,n),bi is its deterioration rate and a is the common base processing time. If all jobs have deterioration rates different and not smaller than a certain constant u>0,...
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Generalization of Kramers-Krönig relations for evaluation of causality in power-law media
PublicationClassical Kramers-Krönig (K–K) relations connect real and imaginary parts of the frequency-domain response of a system. The K–K relations also hold between the logarithm of modulus and the argument of the response, e.g. between the attenuation and the phase shift of a solution to a wave-propagation problem. For square-integrable functions of frequency, the satisfaction of classical K–K relations implies causality in the time domain....