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Short-range order structure and free volume distribution in liquid bismuth: X-ray diffraction and computer simulations studies
PublikacjaThe structure of liquid bismuth was studied by X-ray diffraction and computer simulation methods. The contraction of the atomic structure within the first coordination sphere in the temperature interval of 575- 1225 K is reported. The temperature dependencies of the coordination numbers and of the free volume are analysed. On the basis of the temperature dependencies of the free volume, the temperature dependencies of viscosity...
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DNAffinity: a machine-learning approach to predict DNA binding affinities of transcription factors
PublikacjaWe present a physics-based machine learning approach to predict in vitro transcription factor binding affinities from structural and mechanical DNA properties directly derived from atomistic molecular dynamics simulations. The method is able to predict affinities obtained with techniques as different as uPBM, gcPBM and HT-SELEX with an excellent performance, much better than existing algorithms. Due to its nature, the method can...
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Photophysics and Halide Quenching of Soret-excited ZnTPPS4- in Aqueous Media
PublikacjaSteady state S2-S0 and S1-S0 absorption and emission spectra and picosecond S2 decay and S1 fluorescence rise times have been measured for the model porphyrin ZnTPPS4− in water and in aqueous iodide solutions of constant ionic strength. The dynamics of S1 quenching by iodide are well-modeled by a Stern-Volmer mechanism yielding kQ = 1.75 × 109 M−1 s−1. The S2 state is quenched on a ps time scale by a static electron-transfer mechanism...
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Wave transmission across surface interfaces in lattice structures
PublikacjaWithin the lattice dynamics formulation, we present an exact solution for anti-plane surface waves in a square lattice strip with a surface row of material particles of two types separated by a linear interface. The considered problem is a discrete analog of an elastic half-space with surface stresses modelled through the simplified Gurtin–Murdoch model, where we have an interfacial line separating areas with different surface...
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Numerical investigation on the performance of a small counter-rotating wind turbine
PublikacjaThe article presents the results of the investigation on the performance of a small counter-rotating wind turbine. The wind turbine has been simulated using Computational Fluid Dynamics methods. Actuator Line Model has been successfully used to represent rotors in the computational domain. A parametric study has been carried out, taking into account changes in the tip speed ratio of the rotors while maintaining a constant distance...
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Efficient synthesis and antifungal investigation of nucleosides’ quaternary ammonium salt derivatives
PublikacjaQuaternary ammonium salts are a group of compounds with diverse biological properties, the most important of which are their antiviral, antibacterial, and antifungal activities. The quaternization reactions of 5'-O-tosyl derivatives of uridine and thymidine with triethylamine, trimethylamine, 4-(N ,N -dimethylamino)pyridine, 2-methylpyridine, and pyridine are described in this article. Two of the synthesized compounds are exceptional...
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Electronic structure and time-dependent description of rotational predissociation of LiH
PublikacjaThe 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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Dissociative electron attachment and anion-induced dimerization in pyruvic acid
PublikacjaWe report partial cross sections for the dissociative electron attachment to pyruvic acid. A rich fragmentation dynamics is observed. Electronic structure calculations facilitate the identification of complex rearrangement reactions that occur during the dissociation. Furthermore, a number of fragment anions produced at electron energies close to 0 eV are observed, that cannot originate from single electron-molecule collisions....
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A role of the heat and work uncompensatedtransformations in the balance of entropy and theturbomachinery efficiency
PublikacjaIn the paper we have presented a procedure of estimating a role of the uncompensated transformation of heat and work in ow of viscous and heat conducting uid. The procedure was introduced by Professor Romuald Puzyrewski and is essential in local, in time and space, balance of entropy. Furthermore this unique approach leads to redenition the eciency of uid-ow machinery in three-dimensional modeling using CFD (Computational Fluid...
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Dynamically positioned ship steering making use of backstepping method and artificial neural networks
PublikacjaThe article discusses the issue of designing a dynamic ship positioning system making use of the adaptive vectorial backstepping method and RBF type arti cial neural networks. In the article, the backstepping controller is used to determine control laws and neural network weight adaptation laws. e arti cial neural network is applied at each time instant to approximate nonlinear functions containing parametric uncertainties....
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Instantaneous Impedance Analysis of Non-Stationary Corrosion Process: a Case Study of Carbon Steel in 1M HCl
PublikacjaThe paper concerns the problem of evaluation of stationarity of carbon steel corrosion in 1M HCl. Comparison of corrosion rate with addition of corrosion inhibitor to the reference measurement is the most often used way of evaluating inhibitor efficiency. Such an approach is valid only if corrosion rate is a stationary process. Two complementary techniques were used simultaneously: volumetric analysis of evolved hydrogen and instantaneous...
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Personal adaptive tuning of mobile computer audio
PublikacjaAn integrated methodology for enhancing audio quality in mobile computers is presented. The key features are adaptation of the characteristics of the acoustic track to the changing conditions and to the user's individual preferences. Original signal processing algorithms are introduced, which concern: linearization of frequency response, dialogue intelligibility enhancement and dynamics processing tuned up to the user's preferences....
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Old Problems - New Solutions: Conversion of Capitals as a Tool for Shaping the Competitive Position in the Economic Field
PublikacjaThe acts and operations any social actor effectuates in each of the logically distinguished spheres of reality are conditioned by many factors, among which a reliable analysis of the strengths and weaknesses of an agent should be considered of utmost importance. The concept of capitals presented in this article divides the quantity of resources available to all acting agents into four main categories (which allows for determining...
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Old Problems - New Solutions: Conversion of Capitals as a Tool for Shaping the Competitive Position in the Economic Field
PublikacjaThe acts and operations any social actor effectuates in each of the logically distinguished spheres of reality are conditioned by many factors, among which a reliable analysis of the strengths and weaknesses of an agent should be considered of utmost importance. The concept of capitals presented in this article divides the quantity of resources available to all acting agents into four main categories (which allows for determining...
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Study of the Effect of Filling Thermoplastic Medical Polyurethane with PVA, PLA or Diatomite on the Relaxation Times Distributions of 1H NMR
PublikacjaIn this work, to characterize the mobility of diferent sections of the macromole‑ cules of polyurethane (PUR), polyvinyl alcohol (PVA), and polylactic acid (PLA), as well as the density of crosslinks of the polymer chains when using fllers, we used the distributions of spin–lattice and spin–spin relaxation times for the protons. It is shown that the rigidity of the thermoplastic polymers depends on the sizes of the granules of...
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Joanna Janczewska prof. dr hab.
OsobyJoanna Janczewska odbyła studia wyższe magisterskie na kierunku Matematyka w latach 1994–1999 z wynikiem bardzo dobrym i uzyskała w 1999 roku tytuł magistra. W 2002 roku na Uniwersytecie Gdańskim uzyskała stopień naukowy doktora nauk matematycznych w zakresie matematyki. Promotorem w przewodzie doktorskim był dr hab. Andrzej Borysowicz, prof. UG. W październiku 2004 roku podjęła pracę na stanowisku adiunkta w Katedrze Algebry...
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Conley-Morse graphs for a population model with harvesting. Case Ha-S1: Harvesting adults only, survival rates of juveniles and adults add up to 1
Dane BadawczeThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Conley-Morse graphs for a population model with harvesting. Case He-S1: Equal harvesting of juveniles and adults, survival rates of juveniles and adults add up to 1
Dane BadawczeThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Conley-Morse graphs for a population model with harvesting. Case Hj-Se: Harvesting juveniles only, equal survival rates of juveniles and adults
Dane BadawczeThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Conley-Morse graphs for a population model with harvesting. Case He-Se: Equal harvesting and equal survival rates of juveniles and adults
Dane BadawczeThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Conley-Morse graphs for a population model with harvesting. Case Hj-S1: Harvesting juveniles only, survival rates of juveniles and adults add up to 1
Dane BadawczeThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Conley-Morse graphs for a population model with harvesting. Case Ha-Se: Harvesting adults only, equal survival rates of juveniles and adults
Dane BadawczeThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Rozumieć Kanta całościowo czyli o Opus postumum Immanuela Kanta
PublikacjaTekst pokazuje fundamentalne znaczenie Opus postumum Kanta dla zrozumienia całości jego filozofii, dynamiki jej rozwoju, jej trudności i niekonsekwencji. Podstawowym problemem jest tu problem przejścia od metafizyki przyrody do fizyki. Omawiając pracę Tomasza Kupścia tekst pokazuje jak ważne w rozumieniu Kanta jest wyjście poza problematykę filozofii przyrody w stronę filozofii Boga, bo zwieńczenie filozofii transcendentalnej...
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Observing uncertainty in music tagging by automatic gaze tracking
PublikacjaIn this paper, a new approach to observe music file tagging process by employing a gaze tracking system is proposed. The study was conducted with the participation of twenty subjects having different musical experience. For the purpose of the experiments a website survey based on a musical database was prepared. It allowed to gather information about music experience of subjects along with music characteristics such as genre, tempo,...
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Optimum Control of Gyroscopic Systems
PublikacjaThe problem of optimum control of transverse rotor vibrations with gyroscopic interactions has been described and solved in the paper. An integral performance index has been defined for such system in order to minimize vibration level of a chosen rotor point. For this reason, an efficient way of finding the weight coefficients of integral performance index for multi-degrees-of-freedom system with gyroscopic interactions has been...
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How to choose drive’s rated power in electrified urban transport?
PublikacjaSelection of drive's rated power influences not only vehicle's dynamics, but also its energy efficiency. Mentioned above approach requires a multiphysical model, which covers both mechanical and electrical phenomena. This paper discusses how selection of traction drive's rated power influences vehicle energy consumption on example of a trolleybus. A complex mathematical model was developed in Matlab/Simulink to describe the multiphisical...
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Prospects of Decreasing Power Losses in a Hydrostatic Thrust Bearing
PublikacjaIn numerous machines, axial load is carried by tilting pad thrust bearings known since the beginning of 20th century. These bearings are commonly bath lubricated, which is simple, does not require any additional pumps, and, due to this, such systems are highly reliable. In a contemporary technology, however, minimization of friction losses became an important goal of machinery improvement. Calculations based on elementary rules...
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Nonlinear Influence of Sound on the Vibrational Energy of Molecules in a Relaxing Gas
PublikacjaDynamics of a weakly nonlinear and weakly dispersive flow of a gas where molecular vibrational relaxation takes place is studied. Variations in the vibrational energy in the field of intense sound is considered. These variations are caused by a nonlinear transfer of the acoustic energy into energy of vibrational degrees of freedom in a relaxing gas. The final dynamic equation which describes this is instantaneous, it includes a...
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Simulation of large thrust-bearing performance at transient states, warm and cold start-up
PublikacjaThe start-up of a large hydrodynamic thrust bearing of a vertical hydrogenerator is one of the most critical situations during the lifetime of a bearing. Hydrodynamic load capacity is low due to low speed and higher thermal deformations of the pad. A new approach to the simulation of a hydrodynamic bearing is shown in this article. A combination of finite elements method and computational fluid dynamics is used to perform the transient...
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Comparative in vitro research of the Human Aortic Bioprosthesis
PublikacjaE valuate of the usefulness and reliability of structures based on the analysis of recorded parameters determining the flow through the Human Aortic Bioprosthesis (HAB) have been dealt with. By flow parameters changes determining the performance environment of prosthesis analyzed change of the motion dynamics of the valve leaflets as a function of pressure, thereby determining the degree of alignment of the prosthesis to the performance...
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Mixed, quantum-classical description of electron density transfer in the collision process
PublikacjaIn this work, we investigate an ion-atom model describing the time-dependent evolution of electron density during the collision. For a S3+- H system, numerical simulations are based on classical trajectory calculations, and the electron density behaviour is described with the time-dependent Schrödinger equation. We apply the finite difference method to obtain quantitative insights into the charge transfer dynamics, providing detailed...
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Navigating the complexities of altruistic helping in Nonprofit Organizations: An analysis of Benefits, Burdens and managerial challenges
PublikacjaWe investigate how individuals cope with side effects of altruistic behaviour at work, i.e. genuine helping behaviour which is not part of any job description, and what role the organizational context plays in these dynamics. Employing simultaneous dyadic interviews, we show how employees of non-profit organizations cope with undesired effects of altruistic help. Our data provides evidence of unintended outcomes for the individual...
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Firing map of an almost periodic input function
PublikacjaIn mathematical biology and the theory of electric networks the firing map of an integrate-and-fire system is a notion of importance. In order to prove useful properties of this map authors of previous papers assumed that the stimulus function f of the system ẋ = f(t,x) is continuous and usually periodic in the time variable. In this work we show that the required properties of the firing map for the simplified model ẋ = f(t) still...
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Highly Conserved Homotrimer Cavity Formed by the SARS-CoV-2 Spike Glycoprotein: A Novel Binding Site
PublikacjaAn important stage in severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) life cycle is the binding of the spike (S) protein to the angiotensin converting enzyme-2 (ACE2) host cell receptor. Therefore, to explore conserved features in spike protein dynamics and to identify potentially novel regions for drugging, we measured spike protein variability derived from 791 viral genomes and studied its properties by molecular...
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Automatic recognition of males and females among web browser users based on behavioural patterns of peripherals usage
PublikacjaPurpose The purpose of this paper is to answer the question whether it is possible to recognise the gender of a web browser user on the basis of keystroke dynamics and mouse movements. Design/methodology/approach An experiment was organised in order to track mouse and keyboard usage using a special web browser plug-in. After collecting the data, a number of parameters describing the users’ keystrokes, mouse movements and clicks...
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Proportional-Derivative and Model-based Controllers used for a Serial Type Manipulator in case of a Variable Mass Payload
PublikacjaIn the paper, numerical analysis of dynamics of a variable mass system is considered. Its reference example is a serial-like manipulator composed of revolute joints and rigid bodies. Payload of its gripper is considered as its variable mass element (mass and inertia irregularly between subsequent payloads). For the rest of the system, inertia parameters are considered as known (precisely identified during the assembling process)....
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Structural and Dynamic Properties of Water within the Solvation Layer around Various Conformations of the Glycine-based Polypeptide
PublikacjaSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighboring space around these molecules were investigated. It was found that water forms a well-defined layer—the first solvation shell—around the peptide molecule, and thickness of this layer is independent of the peptide structure and is equal to approximately 0.28 nm. Within...
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Contr-rotating eccentric-mass rotors used as exciters of sinusoidal forces applied to elastically supported bodies
PublikacjaThe work focuses on aspects of multibody dynamics. Investigated object is a mass driven by rotations of an inertial shaker. Resulting vibrational set consists of two counter-rotating identically-unbalanced rotors. Since the mass centres of the rotors do not coincide with the axes of their rotations, significant centrifugal forces arise during rotations. As both rotors are identically unbalanced, the inter-axial force components...
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Closed Form Constraint Equations Used to Express Frictionless Slip of Multibody Systems Attached to Finite Elements—Application to a Contact between a Double Pendulum and a Beam
PublikacjaThis paper focuses on the numerical modeling of the dynamics of mechanical systems. Robots that can inspect high-voltage lines inspired this research. Their control systems must anticipate potential grab positions appropriately. We intend to formulate equations dedicated to the numerical description of the robot/cable contact. The investigated problem is not straightforward, since parts of the modeled systems are numerically inhomogeneous....
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ANALIZA CECH HYDRO-AERODYNAMICZNYCH BEZZAŁOGOWEGO POJAZDU NAWODNO-POWIETRZNEGO Z WYKORZYSTANIEM EFEKTU PRZYPOWIERZCHNIOWEGO
PublikacjaW artykule przedstawiono problematykę badań dotyczących opracowania demonstratora technologii bezzałogowego pojazdu nawodno-powietrznego z wykorzystaniem efektu przypowierzchniowego. Opisano podstawowe problemy badawcze związane z analizą cech hydro-aerodynamicznych pojazdu. Opisano przedmiot badań, bezzałogowy pojazd nawodno-powietrzny typu USV-UAV-WIG. Opisano metodę badań. Przeprowadzono wstępną analizę osiągów i zachowania...
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Towards Knowledge Sharing Oriented Adaptive Control
PublikacjaIn this paper, we propose a knowledge sharing oriented approach to enable a robot to reuse other robots' knowledge by adapting itself to the inverse dynamics model of the knowledge-sharing robot. The purpose of this work is to remove the heavy fine-tuning procedure required before using a new robot for a task via reusing other robots' knowledge. We use the Neural Knowledge DNA (NK-DNA) to help robots gain empirical knowledge and...
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Self-assemblies of novel magnesium porphyrins mimicking natural chlorosomal bacteriochlorophylls
PublikacjaSelf-assembling porphyrins are promising materials to mimic natural bacteriochlorophylls c, d, or e encountered in the chlorosomes of photosynthetic bacteria. We have studied four novel magnesium porphyrins mimicking this chlorosomal antenna system. In contrast to previous articles reporting synthetic Zn-porphyrins, our studies focus on porphyrins with Mg as the central atom, which mimic more closely the natural bacteriochlorophylls....
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The complete stereochemistry of the antibiotic candicidin A3 (syn. ascosin A3, levorin A3)
PublikacjaHerein, the stereostructure of the aromatic heptaene macrolide (AHM) antifungal antibiotic candicidin A3 (syn. ascosin A3, levorin A3) has been established upon the 2D NMR studies, consisting of DQF-COSY, TOCSY, ROESY, HSQC and HMBC experiments, as well as upon extensive molecular dynamics simulations. The geometry of the heptaenic chromophore was defined as: (22E, 24E, 26Z, 28Z, 30E, 32E, 34E). The previously unreported absolute...
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Anti-plane surface waves in media with surface structure: Discrete vs. continuum model
PublikacjaWe present a comparison of the dispersion relations derived for anti-plane surface waves using the two distinct approaches of the surface elasticity vis-a-vis the lattice dynamics. We consider an elastic half-space with surface stresses described within the Gurtin–Murdoch model, and present a formulation of its discrete counterpart that is a square lattice half-plane with surface row of particles having mass and elastic bonds different...
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ICT-driven economic and financial development. Analyses of European countries
PublikacjaICT-Driven Economic and Financial Development: Analyses of European Countries demonstrates the effects of ICT diffusion on economic, social and financial development by examining their impact on the structure and dynamics of national economies. It provides the insight into shifts observed in labour markets, international trade activities productivity factors, education and use of innovative financial products. It combines empirical...
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Visualizing spatially decomposed intermolecular correlations in the infrared spectra of aprotic liquids
PublikacjaInfrared (IR) spectroscopy is commonly used to study intermolecular interactions in the liquid phase, including solvation phenomena. On the other hand, ab initio molecular dynamics (AIMD) simulations offer the possibility to obtain IR spectra from first principles. Surpassing the experiment, AIMD simulations can deliver additional information on the spatial intermolecular correlations underlying the IR spectrum of the liquid. Although...
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Low-Cost Flight Simulator with Possibility of Modeling of Flight Controls Failures
PublikacjaThe goal of this paper is to present a development of a low cost flight simulator, that allows to simulate flight controls failures. Cessna 172 has been chosen as an example of a general aviation aircraft and the flight model has been implemented in Simulink. The model allows for easy integration of an experimental autopilot, using various strategies. Aerodynamic coefficients have been calculated using software called DATCOM. Such...
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generation of the vorticity mode by sound in a bingham plastic
PublikacjaThis study investigates interaction between acoustic and non-acoustic modes, such as vorticity mode,in some class of a non-newtonian fluid called Bingham plastic. The instantaneous equations describinginteraction between different modes are derived. The attention is paid to the nonlinear effects in the fieldof intense sound. The resulting equations which describe dynamics of both sound and the vorticity modeapply to both periodic...
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Modelling an accelerometer for robot position estimation
PublikacjaThe article describes a new model of a MEMS accelerometer for usage in inertial measurement units (IMU). Such units allow to measure orientation and location of the sensor/system and therefore can be applied for systems positioning. The main purpose of the paper is to model pertinent accelerometer functions substantial in determination of the location of the sensor by means of double integration of acceleration. The model takes...
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Adaptive Personal Tuning of Sound in Mobile Computers
PublikacjaAn integrated methodology for enhancing audio quality in mobile computers is presented. The key features are adaptation of the characteristics of their acoustic track to changing acoustic conditions of the environment and to users’ individual preferences. Signal processing algorithms are introduced that concern: linearization of frequency response, dialogue intelligibility enhancement, and dynamics processing tuned up to the users’...