Search results for: MOLECULAR-DYNAMICS
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The saga of a fish: from a survival guide to closing lemmas
PublicationIn the paper by D. Burago, S. Ivanov and A. Novikov, “A survival guide for feeble fish”, it has been shown that a fish with limited velocity can reach any point in the (possibly unbounded) ocean provided that the fluid velocity field is incompressible, bounded and has vanishing mean drift. This result extends some known global controllability theorems though being substantially nonconstructive. We give a fish a different recipe...
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Global Digital Technology Convergence: Driving Diffusion via Network Effects
PublicationSince the 1970s, we have witnessed unprecedented diffusion of digital technologies in both speed and geographic coverage. These technologies are pervasive and disruptive, and lead to profound shifts and transformations in societies and economies. Many claim that emerging network externalities are the principal phenomenon driving the process of technology diffusion and determining its in-time dynamics. This book analyses the unique...
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Dissolution of Nb-doped hydroxyapatite prepared via low-temperature mechanochemical method: Spectroscopy studies
PublicationCalcium phosphate glass ceramics with nominal hydroxyapatite stoichiometry doped with niobium were synthesized using simple as well as low-temperature mechanochemical method and then in the form of compressed pellet were submitted to the static dissolution process in distilled water for one month. The results of structural analysis, performed mainly on the base of spectroscopic methods such as: infrared absorption spectroscopy,...
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User Mobility’s Influence on System Loss in Off-Body BAN Scenarios
PublicationIn this paper, a measurement campaign for off-body communications in an indoor environment is investigated for a set of on-body antennas. The channel impulse response was measured with the user approaching and departing from an off-body fixed antenna using two user dynamics: standing at fixed positions and walking. The processing of the measurement data allowed to evaluate system loss statistics. Different antenna configurations...
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Mobility’s Influence on System Loss in Off-Body BAN Scenarios
PublicationIn this paper, a measurement campaign for off body communications in an indoor environment is investigated for a set of on-body antennas. The channel impulse response was measured with the user approaching and departing from an off-body fixed antenna using two user dynamics, standing at fixed positions and walking. The processing of the measurement data allowed to evaluate system loss statistics. Different antenna configurations...
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Vessel Energy Requirement Prediction from Acceleration Stage Towing Tests on Scale Models
PublicationOne of the most crucial tasks for naval architects is computing the energy required to meet the ship’s operational needs. When predicting a ship’s energy requirements, a series of hull resistance tests on a scale model vessel is carried out in constant speed stages, while the acceleration stage measurements are ignored. Another important factor in seakeeping analysis is the ship’s hydrodynamic added mass. The second law of dynamics...
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Strong-coupling superconductivity of SrIr2 and SrRh2 : Phonon engineering of metallic Ir and Rh
PublicationExperimental and theoretical studies on superconductivity in SrIr2 and SrRh2 Laves phases are presented. The measured resistivity, heat capacity, and magnetic susceptibility confirm the superconductivity of these compounds with Tc = 6.07 and 5.41 K, respectively. Electronic structure calculations show that the Fermi surface is mostly contributed by 5d (4d) electrons of Ir (Rh), with Sr atoms playing the role of electron donors....
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Sounding rocket vibration mechanical filter and amplifier
PublicationMeasuring accelerations and vibrations of a sounding rocket provides both information for engineers on the launcher vehicle performance as well as environment description for future payload designers. Typically, information on the level of vibration and eigenfrequencies are required to properly design a payload. This paper presents a design of a novel mechanical filter and amplifier for mechanical vibrations. Its key feature is...
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Dynamics of Chains as a Tool to Study Thermomechanical Properties of Proteins.
PublicationPolymer dynamics can be formulated on different levels of detail. One approach eliminates microscopic degrees of freedom and a polymer molecule is represented by a simplified structure—a chain. In the simplest case monomers of ideal chain have fixed length, and their orientation is independent of the orientations and positions of neighbouring monomers. This is reason that two monomers can co-exist at the same place. Ideal chain...
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Magnetoacoustic Heating in Nonisentropic Plasma Caused by Different Kinds of Heating-Cooling Function
PublicationThe nonlinear phenomena which associate with magnetoacoustic waves in a plasma are analytically studied. A plasma is an open system with external inflow of energy and radiation losses. A plasma’s flow may be isentropically stable or unstable. The nonlinear phenomena occur differently in dependence on stability or instability of a plasma’s flow. The nonlinear instantaneous equation which describes dynamics of nonwave entropy mode...
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Approach for Determination of Functioning of Lower Limb Muscles
PublicationThe purpose of the study is elaboration of approach for determination of functioning of chosen muscles that are essential for gait performance (Tibialis Anterior, Rectus Femoris, Gastrocnemius Medialis, Biceps Femoris). The scope of the study involves the analysis of the symmetric planar motion performing in the sagittal plane of the body by applying planar multibody model and electromyography signals (EMG) registered over normal...
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Modular power converter with superconducting magnetic energy storage for electric power distribution system — Analysis and simulation
PublicationThis paper describes selected issues concerning realization of energy storage system (ESS) designed to operate in power distribution system. This paper presents a modular approach of 300 kVA power converter operating with superconducting magnetic energy storage (SMES), which gives high dynamics together with high power and suitable capability for instantaneous energy storage. Analysis and simulation studies of selected power converter...
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Redundant information encoding in QED during decoherence
PublicationBroadly understood decoherence processes in quantum electrodynamics, induced by neglecting either the radiation [L. Landau, Z. Phys. 45, 430 (1927)] or the charged matter [N. Bohr and L. Rosenfeld, K. Danske Vidensk. Selsk, Math.-Fys. Medd. XII, 8 (1933)], have been studied from the dawn of the theory. However, what happens in between, when a part of the radiation may be observed, as is the case in many real-life situations, has...
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Revealing dynamic changes of the volatile profile of food samples using PTR–MS
PublicationVolatile compounds carry valuable information regarding the properties of foodstuffs. Volatiles emitted from food can be used as, for example, indicators of quality, shelf-life, or authenticity. A better understanding of the multitude of transformations which occur during food processing could facilitate the optimisation of production, increase the desirability of food products, and also their wholesomeness. However, as some of...
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Spontaneous electron emission vs dissociation in internally hot silver dimer anions
PublicationReferring to a recent experiment, we theoretically study the process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag. The ground state potential energy curves of the silver molecules of diatomic neutral and negative ion were calculated using proper pseudo-potentials and atomic basis sets. We also estimated the non-adiabatic...
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Positive solutions to second order four-point impulsive problems with deviating arguments
PublicationStosując tw. Leggetta-Williamsa, podano warunki dostateczne na istnienie dodatnich rozwiązań dla czteropunktowych problemów brzegowych dla równań różniczkowych rzędu drugiego z odchylonymi argumentami. Dyskutowane były problemy gdy argument odchylony był typu opóźnionego lub wyprzedzonego.
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Dynamic inequalities and equations of Volterra type on time scales
PublicationPraca dotyczy całkowo-różniczkowych równań dynamicznych typu Volterry z warunkami początkowymi. Stosując twierdzenie Banacha o punkcie stałym pokazano istnienie jedynego rozwiązania liniowego równania dynamicznego. Stosując metodę iteracji monotonicznych pokazano istnienie rozwiązań ekstremalnych dla problemów nieliniowych. Badano też nierówności dynamiczne. Praca zawiera również uwagi dotyczące zagadnień różniczkowych i różnicowych.
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Boundary value problems for dynamic equations of Volterra type on time scales
PublicationPraca dotyczy równań i nierówności dla problemów dynamicznych typu Volterry. Podano warunki dostateczne na istnienie ekstremalnych rozwiązań w obszarze ograniczonym przez dolne i górne rozwiązania. Praca zawiera również pewne uwagi dla konkretnych zagadnień różniczkowych i dyskretnych.
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Positive solutions to boundary value problems for impulsive second-order differential equations
PublicationIn this paper, we discuss four-point boundary value problems for impulsive second-order differential equations. We apply the Krasnoselskii's fixed point theorem to obtain sufficient conditions under which the impulsive second-order differential equations have positive solutions. An example is added to illustrate theoretical results.
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On integro-differential equations with delayed arguments
PublicationPraca dotyczy problemów różniczkowo-całkowych z warunkami początkowymi oraz brzegowymi typu okresowego. Podano warunki na istnienie i jednoznaczność rozwiązania. Badania dotyczyły również nierówności różniczkowo-całkowych z argumentami typu opóżnionego. Podano przykłady, które mogą mieć zastosowanie w problemach inżynierskich.
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Modal Adjustment of Rayleigh Based Structural Damping and Coordinate-Partitioning Algorithm Dedicated to Frictionless Contact Constraints between Multibody System and Structure Modelled with Finite Elements
PublicationThe paper presents a dedicated numerical algorithm. The algorithm is advantageous during investigations of the dynamics of a hybrid multibody / finite-elements system. We focus our attention on interactions resulting from mechanical contact. Pointwise contact connects a vertex of the multibody structure and a surface of the elastic reference body. Instead of a positive value of the relative penetration factor, constraint equations...
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Pedestrian on footbridges, vertical loads and response
PublicationThe paper is a synthesis of the experimental and theoretical investigations on dynamics of pedestrian bridges under vertical load The subject is divided into four issues.1) The pedestrian as a vertical dynamic load on footbridges, theoretic load function for walking and crouching.2) Crowd walking on the footbridge - pedestrian flow.3) Vertical lock-in effect.4) Response of the footbridge - numeric and side test results, -...
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Modeling lubricant flow between thrust-bearing pads
PublicationInlet temperature is one of the main inputs in all models for the analysis of fluid film bearing performance. At the same time, inlettemperature distribution and also oil velocity distribution at the inlet are the result of flow phenomena in the gap between the bearingpads. These phenomena are complex and in many cases further affected by any special arrangements of forced oil supply to the gapbetween pads. The reason for such...
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SLIDING MODE-PID FUZZY CONTROLLER WITH A NEW REACHING MODE FOR UNDERWATER ROBOTIC MANIPULATORS
PublicationDesign of an accurate and robust controller is a challenging topic in an underwater manipulator control. This is due to hydrodynamic disturbances in underwater environment. In this paper a sliding mode control (SMC) included a PID sliding surface and fuzzy tunable gain is designed. In this proposed controller robustness property of SMC and fast response of PID are incorporated with fuzzy rules to reduce error tracking. In the...
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An Island of Connectedness: Intra-Insular and Inter-Regional Communications of Rab Island (North-East Adriatic, Kvarner Gulf), Croatia
PublicationDrawing from archaeological data on Prehistoric and Roman settlement patterns, and respective sepulchral features, just as on later historic and cartographic sources, in this contribution it will be shown how movement along with mobility influenced on and were an integral part of settlement dynamics on the island of Rab (NE Adriatic, Croatia). The employed approach sees the practice of movement as dependent on specific social...
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On the Structure of Time in Computational Semantics of a Variable-Step Solver for Hybrid Behavior Analysis
PublicationHybrid dynamic systems combine continuous and discrete behavior. Often, computational approaches are employed to derive behaviors that approximate the analytic solution. An important part of this is the approximation of differential equation behavior by numerical integration. The accuracy and computational efficiency of the integration usually depend on the complexity of the method and its implicated approximation errors, especially...
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Trade diversity and stages of development - evidence on EU countries.
PublicationThe paper presents the dynamics of trade diversification with respect to stages of development in the European context. The analysis focuses on EU27 countries observed across the years 1988–2010 and compared to a sample of 136 international economies at all levels of income per capita. We will use product level statistics (six digit HS0) and confront export and import patterns of absolute diversification/concentration. The results...
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Efficient Usage of Dense GNSS Networks in Central Europe for the Visualization and Investigation of Ionospheric TEC Variations
PublicationThe technique of the orthogonal projection of ionosphere electronic content variations for mapping total electron content (TEC) allows us to visualize ionospheric irregularities. For the reconstruction of global ionospheric characteristics, numerous global navigation satellite system (GNSS) receivers located in different regions of the Earth are used as sensors. We used dense GNSS networks in central Europe to detect and investigate...
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Integrate-and-fire models with an almost periodic input function
PublicationWe investigate leaky integrate-and-fire models (LIF models for short) driven by Stepanov and μ-almost periodic functions. Special attention is paid to the properties of the firing map and its displacement, which give information about the spiking behavior of the considered system. We provide conditions under which such maps are well-defined and are uniformly continuous. We show that the LIF models with Stepanov almost periodic...
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Rattling-enhanced superconductivity in MV2Al20 (M = Sc, Lu, Y) intermetallic cage compounds
PublicationPolycrystalline samples of four intermetallic compounds: MV2Al20 (M=Sc, Y, La, and Lu) were synthesized using an arc-melting technique. The crystal structures were analyzed by means of powder x-ray diffraction and Rietveld analysis, and the physical properties were studied by means of heat capacity, electrical resistivity, and magnetic susceptibility measurements down to 0.4 K. For ScV2Al20, LuV2Al20, and YV2Al20, superconductivity...
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Acoustic heating produced in the thermoviscous flow of a bingham plastic
PublicationThis study is devoted to the instantaneous acoustic heating of a Bingham plastic. The model of the Bingham plastic's viscous stress tensor includes the yield stress along with the shear viscosity, which differentiates a Bingham plastic from a viscous Newtonian fluid. A special linear combination of the conservation equations in differential form makes it possible to reduce all acoustic terms in the linear part of of the final equation...
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Mathemathical model of radial passive magnetic bearing
PublicationIn the article mathematical radial model of passive magnetic bearings to ocean engineering units has been presented. The units application in underwater thrusters should increase propulsion systems durability and gives lower maintenance costs. The rotor of electric motor is hanging in magnetic field taken from radial passive magnetic bearings. However axial direction maintenance must be controlled with electromagnets and their...
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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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Photophysics of Ru(II) Dyads Derived from Pyrenyl-Substitued Imidazo[4,5-f][1,10]phenanthroline Ligands.
PublicationThe photophysics of a series of Ru(II) dyads based on the 2-(1-pyrenyl)-1H-imidazo[4,5-f][1,10]-phenanthroline ligand was investigated. The ability of these metal complexes to intercalate DNA and induce cell death upon photoactivation makes them attractive photosensitizers for a range of photobiological applications, including photodynamic therapy. In the present study, time-resolved transient absorption and emission spectroscopy...
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Prediction of coking dynamics for wet coal charge
PublicationA one-dimensional transient mathematical model describing thermal and flow phenomena during coal coking in an oven chamber was studied in the paper. It also accounts for heat conduction in the ceramic oven wall when assuming a constant temperature at the heating channel side. The model was solved numerically using partly implicit methods for gas flow and heat transfer problems. The histories of temperature, gas evolution and internal...
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Acoustic heating produced in the thermoviscous flow of a Bingham plastic
PublicationThis study is devoted to the instantaneous acoustic heating of a Bingham plastic. The model of the Bingham plastic's viscous stress tensor includes the yield stress along with the shear viscosity, which differentiates a Bingham plastic from a viscous Newtonian fluid. A special linear combination of the conservation equations in differential form makes it possible to reduce all acoustic terms in the linear part of of the final equation...
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Justification of quasi-stationary approximation in models of gene expression of a self-regulating protein
PublicationWe analyse a model of Hes1 gene transcription and protein synthesis with a negative feedback loop. The effect of multiple binding sites in the Hes1 promoter as well as the dimer formation process are taken into account. We consider three, possibly different, time scales connected with: (i) the process of binding to/dissolving from a binding site, (ii) formation and dissociation of dimers, (iii) production and degradation of Hes1...
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Seashore sediment and water chemistry at the Admiralty Bay (King George Island, Maritime Antarctica) – geochemical analysis and correlations between the concentrations of chemical species
PublicationThis study covers water and sediment chemical characteristics by the western shore of Admiralty Bay (King George Island, Antarctica) in 2016. Chemical processes between sediment and water have been described based on the determination of ions, metals, non-metals, and TOC concentrations. Rock weathering is an important source of Fe, Ni, Co, Al in the seashore area. The PCA shows the impact of acidification in the release metals...
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Research and applications of active bearings: A state-of-the-art review
PublicationControllable/active bearings are mainly associated with active magnetic bearings (AMBs), whereas active bearing control is also found in many types of bearings, e.g. fluid, gas and hybrid bearings. The article presents a review of the literature describing the structure and results of studies of active bearings. Active control brings a number of benefits resulting in the fact that their use as a support for rotors becomes increasingly...
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Two-Level Multivariable Control System of Dissolved Oxygen Tracking and Aeration System for Activated Sludge Processes
PublicationThe problem of tracking dissolved oxygen is one of the most complex and fundamental issues related to biological processes. The dissolved oxygen level in aerobic tanks has significant influence on behaviour and activity of microorganism inhabiting the plant. Aerated tanks are supplied with air from an aeration system (blowers, pipes, throttling valves, diffusers). It is a complex dynamic system governed by nonlinear hybrid dynamics....
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Early warning models against bankruptcy risk for Central European and Latin American enterprises
PublicationThis article is devoted to the issue of forecasting the bankruptcy risk of enterprises in Latin America and Central Europe. The author has used statistical and soft computing methods to program the prediction models. It compares the effectiveness of twelve different early warningmodels for forecasting the bankruptcy risk of companies. In the research conducted, the author used data on 185 companies listed on the Warsaw Stock Exchange...
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One-dimensional chaos in a system with dry friction: analytical approach
PublicationWe introduce a new analytical method, which allows to find chaotic regimes in non-smooth dynamical systems. A simple mechanical system consisting of a mass and a dry friction element is considered. The corresponding mathematical model is being studied. We show that the considered dynamical system is a skew product over a piecewise smooth mapping of a segment (the so-called base map). For this base map we demonstrate existence of...
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About definition of modes and magnetosonic heating in a plasma’s flow: Especial cases of perpendicular and nearly perpendicular wave vector and magnetic field
PublicationDynamics of hydrodynamic perturbations in a plasma depend strongly on an angle between the wave vector and equilibrium straight magnetic field. The case of perpendicular propagation is especial. There are only two (fast) magnetosonic modes since two (slow) ones degenerate into the stationary one with zero speed of propagation. This demands individual definition of wave modes by the links of hydrodynamic relations. These links are...
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Identification of ship’s hull mathematical model with numerical methods
PublicationThe modern maritime industry is moving toward the development of technology that will allow for full or partial autonomy of ship operation. This innovation places high demands on ship performance prediction techniques at the design stage. The researchwork presented in the article is related to the design stage of the ship and concerns methods for prognosis and evaluation of the specific operational condition of the ship, namely...
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Unusual dynamics and nonlinear thermal self-focusing of initially focused magnetoacoustic beams in a plasma
PublicationUnusual thermal self-focusing of two-dimensional beams in plasma which axis is parallel to the equilibrium straight magnetic field is considered. The equi- librium parameters of plasma determine scenario of a beam divergence (usual or unusual) which is stronger as compared with a flow without magnetic field. Nonlinear thermal self-action of a magnetosonic beam behaves differently in the ordinary and unusual cases. Damping of wave...
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A Comprehensive Analysis of Impedance of the Electrochemical Cell
PublicationA comprehensive impedance characteristics of two electrodes electrochemical cell has been pre sented. In this method a multisinusoidal current excitation signal is used. The change of potential of both the electrodes are all registered as a function of time. The proposed method gives the possibility of determining the impedance of both electrodes individually as well as the impedance of a twoelectrode system. Additional application...
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Active Power Quality Controllers
PublicationDynamic Static Synchronous Compensator is the most important controller for distribution networks and probably in SEEN. It has been widely used since the 1990s to regulate system voltage precisely, improve voltage profile, reduce voltage harmonics, reduce transient voltage disturbances and load compensation. Rather than using conventional capacitors and inductors combined with fast switches, the D-STATCOM uses a power-electronics...
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Multi-state vibronic interactions in the fluorobenzene radical cation: The importance of quadratic coupling terms
PublicationThe multi-mode multi-state vibronic interactions in the set of X^2B_1 - D^2A_1 electronic states of the monofluoro benzene radical cation are investigated theoretically, based on a quadratic vibronic coupling approach. The underlying ionization potentials and coupling constants are obtained from ab initio coupled-cluster calculations. Previous investigations (relying on the linear coupling approach) are extended by including all...
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Virtual spring damper method for nonholonomic robotic swarm self-organization and leader following
PublicationIn this paper, we demonstrate a method for self-organization and leader following of nonholonomic robotic swarm based on spring damper mesh. By self-organization of swarm robots we mean the emergence of order in a swarm as the result of interactions among the single robots. In other words the self-organization of swarm robots mimics some natural behavior of social animals like ants among others. The dynamics of two-wheel robot...
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Resonances and Dissociative Electron Attachment in HNCO
PublicationIn a combined experimental and theoretical study, we probe the dissociative electron attachment in isocyanic acid HNCO. The experimental absolute cross section for the NCO− fragment shows a sharp onset and fine structures near the threshold. The autoionizing state responsible for the dissociative attachment is found in both the R-matrix calculation and using analytic continuation in the coupling constant. The involved A' resonance...