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Search results for: central-force decomposition
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CENTRAL-FORCE DECOMPOSITION OF THE TERSOFF POTENTIAL
PublicationCentral forces play important role in the analysis of results obtained with particle simulation methods, since they allow evaluating stress fields. In this work we derive expressions for a central-force decompositon of the Tersoff potential, which is often used to describe interatomic interactions in covalently bonded materials. We simplify the obtained expressions and discuss their properties.
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Central-force decomposition of spline-based modified embedded atom method potential
PublicationCentral-force decompositions are fundamental to the calculation of stress fields in atomic systems by means of Hardy stress. We derive expressions for a central-force decomposition of the spline-based modified embedded atom method (s-MEAM) potential. The expressions are subsequently simplified to a form that can be readily used in molecular-dynamics simulations, enabling the calculation of the spatial distribution of stress in...
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Decomposition of the wall force acting on the single bubble motion.
PublicationW referacie skupiono uwagę na rozkładzie siły hydrodynamicznej działającej na kulę (uproszczony model pęcherzyka) na kierunku prostopadłym do ścianki kanału. Pokazano stanowisko badawcze, omówiono procedurę pomiarową oraz zamiszczono przykładowe wyniki badań eksperymentalnych i modelowania matematycznego.
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Decomposition of Acoustic and Entropy Modes in a Non-Isothermal Gas Affected by a Mass Force
PublicationDiagnostics and decomposition of atmospheric disturbances in a planar flow are considered in this work. The study examines a situation in which the stationary equilibrium temperature of a gas may depend on the vertical coordinate due to external forces. The relations connecting perturbations are analytically established. These perturbations specify acoustic and entropy modes in an arbitrary stratified gas affected by a constant...
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Problem of proper decomposition and initialization of acoustic and entropy modes in a gas affected by the mass force
PublicationThe relations connecting perturbations specific for acoustic and entropy modes in an accelerated fluid or in a fluid affected by constant mass force, are derived. They allow to decompose the total vector of perturbations and the overall energy into acoustic and non-acoustic parts uniquely at any instant. In order to do this, three quantities are required, for example total perturbations in entropy, pressure and velocity. The evaluations...
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Kinetics of molecular decomposition under irradiation of gold nanoparticles with nanosecond laser pulses—A 5-Bromouracil case study
PublicationABSTRACT Laser illuminated gold nanoparticles (AuNPs) efficiently absorb light and heat up the surrounding medium, leading to versatile applications ranging from plasmonic catalysis to cancer photothermal therapy. Therefore, an in-depth understanding of the thermal, optical, and electron induced reaction pathways is required. Here, the electrophilic DNA nucleobase analog 5-Bromouracil (BrU) has been used as a model compound to...
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Eurozone or National Inflation Projections: Which has Greater Impact on Consumer Expectations?
PublicationWe compare the dependence of consumer inflation expectations on European Central Bank (ECB) inflation projections with that on national central bank (NCB) projections in four economies: Austria, Belgium, Finland, and Germany. We aim to assess whether the information published by central banks affects consumers, and whether inflation projections published by NCBs are more relevant to consumers than those published for the entire...
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Heteroleptic tri-tert-butoxysilanethiolate complexes of manganese(II) - thermal studies
PublicationThe thermal behavior of Mn(II) silanethiolate series [Mn(SR)2L(MeOH)n], where R=SSi(OBut)3, L=heterocyclic nitrogen base and n=0, 1 or 2 has been comparatively investigated using differential scanning calorimetry (DSC), thermogravimetry (TG) and TG-infrared spectoscopy (IR) techniques. The TG curves indicate the differences in the thermal decomposition due to presence of distinct N-donor ligands and labile MeOH molecules coordinated...
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Experimental study of the post tensioned prestressed concrete corbels
PublicationThe results of experimental investigation of 6 symmetrical double prestressed corbels of variable shear span to depth ratio and variable location of prestressing bars are presented in the paper. The post ten- sioned corbels were prestressed with Macalloy 1030 bars of 25 mm in diameter. The results of the tests were compared with the cracking and load carrying capacity of corbels reinforced with passive reinforce- ment. As a result...
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UNDECLARED WORK IN POLAND CHARACTERISTICS AND PREVALENCE
PublicationThis article aims to present the significance and prevalence of the phenomenon of undeclared work. First, we discuss the definitional issues of this phenomenon. Then, we present previous estimates on shadow economy and undeclared work in Poland, based on statistics provided by Central Statistical Office and other research entities. Our analysis covers the years 2000–2014. In the last part of the article, we use data from the Labour...
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The effect of current signal filtering method on the value of cutting power while sawing wood
PublicationThe goal of this work was to investigate an effect of various signal pre-processings on the outline of the electrical power curve and its influence on the measured cutting force estimation. Two signal processing methods were selected for the needs of the experiment, including digital filter and wavelet transform. The filter used was Butterworth, 3rd order band-stop with the cut-out band from 45 Hz to 55 Hz. The second approach...
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Is Germany a Hub of ‘Factory Europe’ for CEE Countries?
PublicationThe goal of the paper is to decompose gross exports and imports to/from Germany for seven selected economies in Central and Eastern Europe (CEE): the Czech Republic, Estonia, Hungary, Lithuania, Latvia, Poland and Slovakia for 2000 and 2014, in order to identify the role of Germany in absorbing, reflecting and redirecting CEE trade. The authors use a gross trade decomposition proposed by Bonin and Mancini (2017), which is the extended...
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Comparison of bacterial production in the water column between two Arctic fjords, Hornsund and Kongsfjorden (West Spitsbergen)
PublicationBacterial production and the accompanying environmental factors were measured in the water columns of two Arctic fjords during the cruise in July and August 2013. Water samples were collected at six stations located in the central part of Hornsund and Kongsfjorden. In Hornsund, where average water temperatures were 1.25-fold lower than in Kongsfjorden, the bacterial production was twice as high (0.116 ± 0.102 vs 0.05 ± 0.03 mg...
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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublicationThe importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized...
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Pomiar sił w wantach mostu podwieszonego
PublicationW artykule przedstawiono metodę oraz wyniki badań sił w wantach Mostu III Tysiąclecia im. Jana Pawła II w Gdańsku. Do identyfikacji sił wykorzystano trzy metody: wibracyjną; z wykorzystaniem siłownika jednosplotowego (lift-off) oraz pomiaru strzałki ugięcia. Przedstawione wyniki badań dowodzą, że wszystkie metody mogą być z powodzeniem wykorzystywane do identyfikacji rzeczywistej siły w wancie. Każda z metod ma jednak ograniczenia...
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Acoustic streaming caused by some types of aperiodic sound. Buildup of acoustic streaming
PublicationThe analysis of streaming caused by aperiodic sound of different types (switched on at transducer sound or sound determined by initial conditions) is undertaken. The analysis bases on analytical governing equation for streaming Eulerian velocity, which is a result of decomposition of the hydrodynamic equations into acoustic and non-acoustic parts. Its driving force (of acoustic nature) represents a sum of two terms; one is the...
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Deep eutectic solvents based highly efficient extractive desulfurization of fuels – Eco-friendly approach
PublicationThe developed process is based on alternative, green and cheap solvents for efficient desulfurization of fuels. Several deep eutectic solvents (DESs) were successfully synthesized and studied as extraction solvents for desulfurization of model fuel containing thiophene (T), benzothiophene (BT) and dibenzothiophene (DBT). The most important extraction parameters (i.e. kind of DES, DES: fuel volume ratio, hydrogen bond acceptor:...
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Compatibility of Sustainable Mater-Bi/poly(ε-caprolactone)/cellulose Biocomposites as a Function of Filler Modification
PublicationDespite their popularity and multiplicity of applications, wood–polymer composites (WPCs) still have to overcome particular issues related to their processing and properties. The main aspect is the compatibility with plant-based materials which affects the overall performance of the material. It can be enhanced by strengthening the interfacial adhesion resulting from physical and/or chemical interactions between the matrix and...
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Improvement of the thrust bearing calculation considering the convectional heating within the space between the pads
PublicationA modern thrust bearing calculation tool should consider not only the oil film between pad and rotating collar but also the space between the pads. The oil flow in the space has a significant influence on the oil film inlet temperature, the convectional cooling of pad and collar and should be included in the bearing calculation methods. The authors use a tool developed at Clausthal University of Technology in cooperation with the...
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Magnetic deep eutectic solvents as efficient media for extraction of furfural and 5-hydroxymethylfurfural from aqueous samples
PublicationThe extraction of furfural (FF) and 5-hydroxymethylfurfural (HMF) from hydrolysates is currently one of the main challenges in bio-refinery. In this work, the separation of FF and HMF from the aqueous phase was carried out using a new type of green solvents – Magnetic Deep Eutectic Solvents (MDES). A conductor-like screening model for realistic solvents (COSMO-RS) was used for the preselection of 400 MDES. MDES which exhibit the...
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Partial hyperbolicity and central shadowing
PublicationWe study shadowing property for a partially hyperbolic diffeomor- phism f. It is proved that if f is dynamically coherent then any pseudotrajec- tory can be shadowed by a pseudotrajectory with “jumps” along the central foliation. The proof is based on the Tikhonov-Shauder fixed point theorem.
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Analiza psychrometryczna rozwiązań konstrukcyjnych nowoczesnych central klimatyzacyjnych
PublicationBadaniom psychrometrycznym porównawczym poddano centrale klimatyzacyjno-wentylacyjne jednoprzewodowego systemu otwartego. Analizowano trzy warianty: klasyczny central - bez odzysku ciepła, następnie central z regeneratorem obrotowym oraz central z regeneratorem obrotowym i modułem adsorpcyjnym. Do analiz wykorzystano komputerowe programy doborowe bloków funkcjonalnych komercyjnych central klimatyzacyjno-wentylacyjnych.
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Analiza psychrometryczna rozwiązań konstrukcyjnych nowoczesnych central klimatyzacyjnych
PublicationBadaniom psychrometrycznym porównawczym poddano centrale klimatyzacyjno-wentylacyjne jednoprzewodowego systemu otwartego. Analizowano trzy warianty: klasyczny central - bez odzysku ciepła, następnie central z regeneratorem obrotowym oraz central z regeneratorem obrotowym i modułem adsorpcyjnym. Do analiz wykorzystano komputerowe programy doborowe bloków funkcjonalnych komercyjnych central klimatyzacyjno-wentylacyjnych. W wyniku...
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Index filtrations and Morse decomposition for discrete dynamical systems
PublicationOn a Morse decomposition of an isolated invariant set of a homeomorphism(discrete dynamical system) there are partial orderings defined by the homeomorphism.These are called admissible orderings of the...
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Analysis of Agricultural and Engineering Systems using Simulation Decomposition
PublicationThis paper focuses on the analysis of agricultural and engineering processes using simulation decomposition (SD). SD is a technique that utilizes Monte Carlo simulations and distribution decomposition to visually evaluate the source and the outcome of different portions of data. Here, SD is applied to three distinct processes: a model problem, a nondestructive evaluation testing system, and an agricultural food-water energy system....
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Modelling of laminated glass PVB walls of buildings exposed to vehicle impact with different speeds
PublicationThis paper presents an analytical model, developed for laminated glass subjected to a low-velocity impact. It has the ability to capture glass cracks as well as large non-linear deformations. It is based mathematically on the firstorder deformation concept, which considers the effect of membrane and transverse shear as well as bending. This theory uses damage mechanics to capture the glass cracking. For this purpose, several experiments...
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Perceptual and Motor Effects of Muscle Co-activation in a Force Production Task
PublicationWe tested several predictions of the theory of motor control with spatial referent coordinates related to effects of muscle coactivation on force production and perception. In particular, we predicted that subjects would produce unintentional force increase by finger flexors and be unaware of this force increase. Healthy subjects performed steady force production task in isometric conditions with visual feedback on the force level....
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Simplified AutoDock force field for hydrated binding sites
Publicationhas been extracted from the Protein Data Bank and used to test and recalibrate AutoDock force field. Since for some binding sites water molecules are crucial for bridging the receptor-ligand interactions, they have to be included in the analysis. To simplify the process of incorporating water molecules into the binding sites and make it less ambiguous, new simple water model was created. After recalibration of the force field on...
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Homoclinics for singular strong force Lagrangian systems
PublicationWe study the existence of homoclinic solutions for a class of generalized Lagrangian systems in the plane, with a C1-smooth potential with a single well of infinite depth at a point ξ and a unique strict global maximum 0 at the origin.Under a strong force condition around the singular point ξ, via minimization of an action integral, we will prove the existence of at least two geometrically distinct homoclinic solutions.
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Problems in estimation of hand grip force based on EMG signal
PublicationThere has recently been a significant increase in the number of publications on and applications of bioelectric signals for diagnostic purposes. While the use of ECG (electrocardiography) is not surprising, the use of signals from registration of brain activity (EEG) and muscles activity (EMG) still finds new applications in various fields. The authors focus on the use of EMG signals for estimating hand grip force. Currently,...
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TIME-AND-SPACE STRUCTURE OF FORCE-DRIVEN RIGID SPHEREWAVEFIELD
PublicationThis paper introduces a time-domain, causality-inspired description of a vector-source acoustic wavefield of arbitrary time evolution, where a sphere is a practical realisation of quasi-point contact surface without which a point force would not be able to exert an impact onto non-viscous fluid. At every space location, the resulting acoustic field is described by a pair of physical variables characterising the time evolution of...
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Graph Decomposition for Memoryless Periodic Exploration
PublicationWe consider a general framework in which a memoryless robot periodically explores all the nodes of a connected anonymous graph by following local information available at each vertex. For each vertex v, the endpoints of all edges adjacent to v are assigned unique labels within the range 1 to deg (v) (the degree of v). The generic exploration strategy is implemented using a right-hand-rule transition function: after entering vertex...
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Technology-Driven Internationalization: Central-Eastern European Perspective
PublicationSince the 1990s of the twentieth century onward, Central-Eastern European countries have been extensively involved in these two processes—regarding increasing share of ICT and high-tech exports in country’s total export value—and additionally, across these economies, changes in the level of access to and use of ICT have been observed. The main target of this research is to contribute to the present state of the art, by proving...
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Load introduction to composite columns revisited—Significance of force allocation and shear connection stiffness
PublicationThe AISC 360-16 Specification recommends that the design shear force between parts of a composite column in the load introduction area shall be calculated based on the force allocation at ultimate limit state. Applicability of this straightforward method to the load levels that usually arise in slender composite columns is questionable, as this capacity-based force allocation is only true when the axial force is equal to the plastic...
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Dynamic Nanoimpedance Characterization of the Atomic Force Microscope Tip-Surface Contact
PublicationNanoimpedance measurements, using the dynamic impedance spectroscopy technique, were carried out during loading and unloading force of a probe on three kinds of materials of different resistivity. These materials were: gold, boron-doped diamond, and AISI 304 stainless steel. Changes of impedance spectra versus applied force were registered and differences in the tip-to-sample contact character on each material were revealed. To...
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Identification of residual force in static load tests on instrumented screw displacement piles
PublicationOccurrence of the so-called residual force of an unknown value significantly disturbs interpretation of static load tests performed on piles equipped with additional measuring instruments. Screw displacement piles are the piling technology in which the residual force phenomenon is very common. Its formation mechanism is closely related to the installation method of this type of piles, which initiates generation of negative pile...
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Towards hand grip force assessment by using EMG estimators
PublicationThe purpose of this study was to propose a method to assess individual regression (calibration) curves to establish a relationship between an isometric grip force and surface electromyography (EMG) estimator. In this study 18 healthy volunteers (12 male (23.0 ± 2.0 years) and 6 female (23.2 ± 0.7 years)) had been examined. Ten EMG estimators (mean absolute value, root mean square, entropy, energy, turns per second, mean of zero...
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Service and service decomposition model - theoretical foundation of it service management
PublicationThe publication contains different definitions of Service - one of the fundamental IT Service Management term. It describes types of Service attributes nad introduces so-called ''distinguish functions'' in order to propose different categories of Services. It proposes both general model of Service decomposition and practical model based on CMDB implementation limitations. In summarizes obtained results and gives some remarks about...
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Position in global value chains and wages in Central and Eastern European countries
PublicationThis paper examines the relationship between the relative position of industries in Global Value Chains (GVC) and wages in 10 Central and Eastern European countries. We combine GVC measures of global import intensity of production, upstreamness and the length of the value chain with micro-data on workers. We find that the wages of Central and Eastern European countries workers are higher when their industry is at the beginning...
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Enhancing capabilities of Atomic Force Microscopy by tip motion harmonics analysis
PublicationMotion of a tip used in an atomic force microscope can be described by the Lennard-Jones potential, approximated by the van der Waals force in a long-range interaction. Here we present a general framework of approximation of the tip motion by adding three terms of Taylor series what results in non-zero harmonics in an output signal. We have worked out a measurement system which allows recording of an excitation tip signal and its...
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On the Role of Polarimetric Decomposition and Speckle Filtering Methods for C-Band SAR Wetland Classification Purposes
PublicationPrevious wetlands studies have thoroughly verified the usefulness of data from synthetic aperture radar (SAR) sensors in various acquisition modes. However, the effect of the processing parameters in wetland classification remains poorly explored. In this study, we investigated the influence of speckle filters and decomposition methods with different combinations of filter and decomposition windows sizes on classification accuracy....
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Deregulation of the labour markets in the countries of Central and Eastern Europe — selected issues
PublicationThe countries of Central and Eastern Europe in the 1990s pursued the transformation processes which were to result in introducing systemic changes and building market economies. It was a process requiring adjustment of the regulatory and system framework to the requirements of the EU. One of the areas covered by the changes was the labour market. The reforms related to the functioning of national labour markets necessitated taking...
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Parametric method applicable in assessing breakout force and time for lifting slender bodies from seabed
PublicationThe article presents a parametric method applicable in assessing the suction force of a slender body to the seabed, and prognosing the body extrication time. Along with the body weight in water, the information on the suction force is essential for assessing the force needed to lift the object from the seabed. Based on the Foda theory and the resulting integral equation, which relates the maximum suction force with basic parameters...
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Central heating temperature control algorithm for systems with condensing boilers
PublicationThe problem of control of a central heating system in a small residence is considered. It is assumed that the system is based on a condensing boiler. Since the boiler efficiency depends on a returning water temperature, the proposed control goal is to provide proper air temperature in the residence as well as the lowest possible water temperature. The proposed algorithm is applied to two buildings. Both of them have the same heating...
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Piezoresponse force microscopy and dielectric spectroscopy study of Ba0.6Sr0.4TiO3 thin films
PublicationResearch on synthesis, characterization and determination of processing – structure – property relationships of commercially important ferroelectric thin films has been performed. The sol-gel-type solution deposition technique was applied to produce good quality thin films of Ba0.6Sr0.4TiO3 (BST60/40) chemical composition on the stainless steel substrates. The thin films were characterized in terms of their microstructure, crystal...
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Low-Temperature Requirements for Bitumen in Central East European Road Construction
PublicationThe paper presents the proposition of special assessment of lowtemperature requirements for bitumens in the region of Central and Eastern Europe where there is a moderate transitional area from sea to the continental type of climate. The results of the research program conducted on the road neat bitumens, Styrene-Butadiene-Styrene polymer and polymer-rubber modified bitumen, and multigrade bitumen types were presented and discussed....
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Sources of macroeconomic competitiveness in Central and East European Countries
PublicationThe aim of the paper is to assess empirially economic growth and productivity patterns in Central and East European Countries (CEECs), and to provide a thorough insight into the factors influencing macroeconomic competitiveness in the CEE region. The study goes back to early 1990s and describes macroeconomic developments in eight countries which joined the EU in 2004 (namely: the Czech Republic, Estonia, Hungary, Latvia, Lithuania,...
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The Opening of Central and Eastern European Countries to Free Trade: A Critical Assessment
PublicationThree decades after the fall of the Berlin wall and one and a half decades after the Big Bang enlargement of the European Union (2004-2007), we revisit contrasting narratives about the benefit of both free trade and the EU enlargement for Central and Eastern European (CEE) countries. We distinguish old, pre-2004 EU countries from CEE countries that joined the EU in 2004-2007, as well as from the CEE countries that have not become...
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Homoclinics for singular strong force Lagrangian systems in R^N
PublicationWe will be concerned with the existence of homoclinics for second order Hamiltonian systems in R^N (N>2) given by Hamiltonians of the form H(t,q,p)=Φ(p)+V(t,q), where Φ is a G-function in the sense of Trudinger, V is C^2-smooth, periodic in the time variable, has a single well of infinite depth at a point ξ and a unique strict global maximum 0 at the origin. Under a strong force type condition aroud the singular point ξ, we prove...
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Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field
PublicationThe physics-based united-residue (UNRES) model of proteins ( www.unres.pl ) has been designed to carry out large-scale simulations of protein folding. The force field has been derived and parameterized based on the principles of statistical-mechanics, which makes it independent of structural databases and applicable to treat nonstandard situations such as, proteins that contain D-amino-acid residues. Powered by Langevin dynamics...