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Wyniki wyszukiwania dla: Reax Force Field
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Advanced Potential Energy Surfaces for Molecular Simulation
PublikacjaAdvanced potential energy surfaces are defined as theoretical models that explicitly include many-body effects that transcend the standard fixed-charge, pairwise-additive paradigm typically used in molecular simulation. However, several factors relating to their software implementation have precluded their widespread use in condensed-phase simulations: the computational cost of the theoretical models, a paucity of approximate models...
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Enhancing rheological muscle models with stochastic processes
PublikacjaPurpose: Biological musculoskeletal systems operate under variable conditions. Muscle stiffness, activation signals, and loads change during each movement. The presence of noise and different harmonic components in force production significantly influences the behaviour of the muscular system. Therefore, it is essential to consider these factors in numerical simulations. Methods: This study aims to develop a rheological mathematical...
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Medially positioned plate in first metatarsophalangeal joint arthrodesis
PublikacjaObjective The purpose of this study was to biomechanically compare the stability of first metatarsophalangeal (MTP1) joint arthrodesis with dorsally and medially positioned plates. Methods A physical model of the MTP1 joint consists of printed synthetic bones, a titanium locking plate and screws. In the experiments, samples with dorsally and medially positioned plates were subjected to loading of ground load character in a universal...
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Hyperelastic Microcantilever AFM: Efficient Detection Mechanism Based on Principal Parametric Resonance
PublikacjaThe impetus of writing this paper is to propose an efficient detection mechanism to scan the surface profile of a micro-sample using cantilever-based atomic force microscopy (AFM), operating in non-contact mode. In order to implement this scheme, the principal parametric resonance characteristics of the resonator are employed, benefiting from the bifurcation-based sensing mechanism. It is assumed that the microcantilever is made...
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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublikacjaThe 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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Nitrogen-Incorporated Boron-Doped Nanocrystalline Diamond Nanowires for Microplasma Illumination
PublikacjaThe origin of nitrogen-incorporated boron-doped nanocrystalline diamond (NB-NCD) nanowires as a function of substrate temperature (Ts) in H2/CH4/B2H6/N2 reactant gases is systematically addressed. Because of Ts, there is a drastic modification in the dimensional structure and microstructure and hence in the several properties of the NB-NCD films. The NB-NCD films grown at low Ts (400 °C) contain faceted diamond grains. The morphology...
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Discussion:Horizontal stress increase induced by deep vibratory compaction
PublikacjaDeep compaction control of granular material using the results of field tests. The analysis include the CPTU and DMT tests terformed before and after compaction works.
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Magnetosonic Excitation of the Entropy Perturbations in a Plasma with Thermal Conduction Depending on Temperature
PublikacjaNonlinear excitation of the entropy perturbations by magnetosonic waves in a uniform and infinite plasma model is considered. The wave vector of slow or fast mode forms an arbitrary angle (0 B B ) with the equilibrium straight magnetic field, and all perturbations are functions of the time and longitudinal coordinate. Thermal conduction is the only factor which destroys isentropicity of wave perturbations and causes the nonlinear...
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Static electric multipole susceptibilities of the relativistic hydrogenlike atom in the ground state: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublikacjaThe ground state of the Dirac one-electron atom, placed in a weak, static electric field of definite $2^{L}$ polarity, is studied within the framework of the first-order perturbation theory. The Sturmian expansion of the generalized Dirac-Coulomb Green function [R. Szmytkowski, J. Phys. B: At. Mol. Opt. Phys. 30, 825 (1997); erratum R. Szmytkowski, J. Phys. B: At. Mol. Opt. Phys. 30, 2747 (1997)] is used to derive closed-form analytical...
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Verification of the method of reconstructing convective velocity fields on the basis of temperature fields in vertical, differential and equally heated, open and closed channels
PublikacjaThis paper describes a method of reconstructing velocity fields, i.e. a numerical reconstruction procedure (NRP) that involves the numerical processing of experimentally measured temperature distributions in free convection heat transfer. The NRP consists in solving only the continuity and Navier–Stokes equations with an additional source term. This term is proportional to a known temperature (e.g. from a thermal imaging camera)...
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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
PublikacjaDissociation 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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ANALYSIS OF BRACE STIFFNESS INFLUENCE ON STABILITY OF THE TRUSS
PublikacjaThe paper is devoted to the numerical and experimental research of stability of a truss with side elastic supports at the top chord. The structure is a model of a real roof truss scaled by factor ¼. The linear buckling analysis and non-linear static analysis were carried out. The buckling length factor for the compressed top chord was calculated and the limit load for the imperfect truss shell model with respect to brace stiffness...
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Knowledge work and knowledge workers in knowledge-based economy - theoretical considerations
PublikacjaIt is often claimed that an organization is as good as people working in it and that talented workers are the driving force of an organization. To cope with the growing requirements of knowledge-based economy, organizations need a special type of workers - knowledge workers. This is especially important in organizations building their competitive advantage on innovations and the application of information and communication technologies...
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Trim Optimisation - Theory and Practice
PublikacjaForce Technology has been working intensively with trim optimisation tests for almost last 10 years. Focus has primarily been put on the possible power savings and exhaust gases reduction. This paper describes the trim optimisation process for a large cargo vessel. The physics behind changed propulsive power is described and the analyses in order to elaborate the optimum trimmed conditions are presented. Different methods for prediction...
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The shadowing chain lemma for singular Hamiltonian systems involving strong forces
PublikacjaW niniejszym artykule rozważamy autonomiczny układ Hamiltonowski na płaszczyźnie z potencjałem, który ma punkt osobliwy (studnię nieskończonej głębokości) i maksimum globalne właściwe równe zero przyjmowane w dwóch różnych punktach płaszczyzny. Przy założeniu, że w otoczeniu punktu osobliwego potencjał spełnia warunek Gordona(gradient tego potencjału w otoczeniu punktu osobliwego jest tzw. silną siłą, ang. a strong force) dowodzimy...
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The impact of end-user participation in IT projects on product usability
PublikacjaMany companies implementing new IT projects encounter numerous problems with ensuring good final product usability. The strong market competition they experience often results in necessity of undertaking difficult decisions with regard to cost minimization. This may force cuts in usability expertise and consulting, most often by limiting end-user participation in the project. However, it may also result in serious consequences...
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Experimental Study of Dapped-End Beams Subjected to Inclined Load
PublikacjaThis paper presents the results of an experimental investigation of the reinforced concrete (RC) dapped-end beams loaded with inclined forces, compared to identical ones loaded with vertical forces only. Such a load may occur in, for example, Gerber's joints or in dapped-end beams supported on corbels, where the vertical gravitation force is additionally completed with horizontal forces caused by temperature differences, shrinking,...
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A two dimensional approach for modelling of pennate muscle behaviour
PublikacjaThe purpose of this study was to elaborate a two-dimensional approach for unipennate and bipennate striated skeletal muscle modelling. Behavior of chosen flat pennate muscle is modelled as a rheological system composed of serially linked passive and active fragments having different mechanical properties. Each fragment is composed of three elements: mass element, elastic element and viscous element. Each active fragment furthermore...
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The Application of Vibration Recording and Analysis in Tribological Research on Sliding Friction
PublikacjaThe paper reports on a tribological research on the macroscopic manifestation and characteristics of sliding friction. The aim of the task was to measure friction in lubricated sliding contacts and test the interactions between the environment (the test rig) and the experimental friction contact. Friction-induced vibrations were observed and studied as a manifestation of the process. The typical set of velocity and force/torque...
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Effect of the let-through energy of overcurrent protective devices on the temperature of conductors during short-circuits
PublikacjaThe scope of the verification of low-voltage systems covers the earth fault loop impedance measurement. This measurement is usually performed with the use of low-value current meters, which force a current many times lower than the one occurring during a real short-circuit. Therefore, the international standard recommends consideration of the increase of resistance of conductors with the increase of temperature, which may occur...
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Suitability study of hybrid model of electrodynamic actuator
PublikacjaThe paper presents the proposal of the hybrid circumferential model of an electrodynamic actuator. The field model uses the inductor current as the input data which is obtained from the circumferential model or experimentally.
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Evaluation of the Effectiveness of Methods for Delimitation of the Boundaries of Registered Parcels in the Process of Modernization of Land and Building Registration
PublikacjaIn the article, a comparative analysis of two methods for delimitation of the boundaries of registered parcels was carried out: the method of direct measurement in the field and the photogrammetric method. One of the analyzed factors was the attendance of parcels’ owners during the development of boundary recognition agreements. Research has shown that in this aspect the method of direct measurement...
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Insights in microbiotechnology: 2022.Editorial
PublikacjaThis Research Topic serves as an invaluable resource for readers interested in staying updated with the latest progress and developments in the field of microbiotechnology. It spotlights the innovative research conducted by up-and-coming experts in the field, specifically emphasizing the transforming abilities of microorganisms that greatly influence the scientific community. The advent of multi-omic technologies has revolutionized microbiotechnology,...
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On Guard for Lighting Quality. The establishment of the first association of professional lighting designers
PublikacjaNot many people in the lighting community are aware of the fact, that after electricity was invented and in general use in the United States from the late nineteenth century, only electrical engineers were responsible for the illumination of architecture. After 1906, when the Illuminating Engineering Society of North America (IESNA) was established in the USA, companies and individuals professionally involved in the field of gas...
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Non-compulsory practical education programme for modernist heritage
PublikacjaA non-compulsory programme for students of architecture that contains more specialised topics beyond the basic subjects is an important educational tool. The advantages include classes in smaller groups, the possibility of practical exercises in real field conditions and the benefits of meeting professional practitioners. This type of programme is particularly useful for teaching architectural heritage of the 20th Century, its...
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Larmor diamagnetism and Van Vleck paramagnetism in relativistic quantumtheory: the Gordon decomposition approach
PublikacjaWe consider a charged Dirac particle bound in a scalar potential perturbed by a classical magnetic field derivable from a vector potential A(r). Using a procedure based on the Gordon decomposition of a field-induced current, we identify diamagnetic and paramagnetic contributions to the second-order perturbationtheory correction to the particle's energy. In contradiction to earlier findings, based on the sum-over-states approach,...
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On constitutive relations in the resultatnt non-linear theory of shells
PublikacjaThe authors summarize their current research in the field of constitutive modelling in the framework of non-linear 6-parameter shell theory. In particular the description of isotropic, multilayered composite and functionally graded shells is presented.
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The description of non-linear interactions of wave and non-wave modes in a non-adiabatic plasma flow
PublikacjaThe method of derivation of non-linear equations for interacting modes is explained and applied to a plasma's flow affected by a magnetic field. It is based on the linear projecting of the total perturbation field into specific variations of variables in individual modes of a flow. The method may be applied in many examples of fluid flows with different mechanisms of non-adiabaticity. It is of special importance in complex flows...
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Incorporating installation effects into the probability analysis of controlled modulus columns
PublikacjaThis technical report presents the probabilistic analysis which integrates the Monte Carlo simulation (MCS) with random field theory to model the load–displacement behavior of Controlled Modulus Columns (CMCs) in overconsolidated Poznań clay. Presented study focuses on the practical aspects of statistical analysis of geotechnical data, numerical model development, and results evaluation. Variability and spatial distribution of...
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A Note on Fractional Curl Operator
PublikacjaIn this letter, we demonstrate that the fractional curl operator, widely used in electromagnetics since 1998, is essentially a rotation operation of components of the complex Riemann–Silberstein vector representing the electromagnetic field. It occurs that after the wave decomposition into circular polarisations, the standard duality rotation with the angle depending on the fractional order is applied to the left-handed basis vector...
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Properties of Nasicon-based CO2 sensors with Bi8Nb2O17 reference electrode
PublikacjaPotentiometric CO2 sensors based on Nasicon (Na+ conductor, Na3Zr2Si2PO12) electrolyte, Bi8Nb2O17/Pt reference electrode and different sensing electrodes have been prepared. Besides the sensing electrode material, sensors differ from each other in the reference electrode preparation technique. The main aim of this study is to investigate sensor construction and electrode fabrication process influence on sensor properties. The optimal...
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Selected aspects of the evolution of the industry analysis
PublikacjaPorter's five forces is a significant tool of analysis of industries. It helps evaluating variables of industry profitability and assessing firm performance. Using the framework, managers can take a decision as to which industries they can effectively compete in and position their companies to reduce the adverse effects of the mentioned forces. According to the critics, the five forces model is limited to its static nature. The...
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The networking of the justice system as part of public court networks
PublikacjaThe goal of this paper is to look at the organizational structure of the justice system and provide the answer to the basic question of the possible network relations, their force, and imapct. As part od the paper, I have defined public inetrorganisational court network, dividing them into regulatory inter-organisational networks nad voluntary inetrorganisational networks. Emphasis has also been placed on the benefits and threats...
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Identification of diagnostic parameter sensitivity during dynamic processes of a marine engine
PublikacjaChanging some parameters of the engine structure alters the emission of harmful components in the exhaust gas. This applies in particular to the damage of charge exchange system as well as fuel system and engine supercharger. These changes are much greater during the dynamic states and their accompanying transitional processes. The different sensitivity of diagnostic parameters to the same force, coming from the engine structure, but...
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Optimizing the computation of a parallel 3D finite difference algorithm for graphics processing units
PublikacjaThis paper explores the possibilities of using a graphics processing unit for complex 3D finite difference computation via MUSTA‐FORCE and WENO algorithms. We propose a novel algorithm based on the new properties of CUDA surface memory optimized for 2D spatial locality and compare it with 3D stencil computations carried out via shared memory, which is currently considered to be the best approach. A case study was performed for...
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The mechanism of grouting action under the base of bored pile
PublikacjaThe grouting under the base of bored pile is carried out in order to reduce pile settlement and improve its bearing capacity. The principal aim of grouting is to introduce an initial force between the soil and the pile base. In non-cohesive soil, the grouting can also enlarge the pile base area and therefore improve the base resistance. The example of static load tests on instrumented bored piles installed with and without grouting...
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Connecting orbits for a periodically forced singular planar Newtonian system
PublikacjaW niniejszym artykule badamy problem istnienia i krotności rozwiązań homoklinicznych i heteroklinicznych dla nieautonomicznych układów Newtonowskich na płaszczyźnie z potencjałem okresowym ze względu na zmienną czasową, mającym maksimum globalne właściwe przyjmowane w dwóch punktach płaszczyzny i punkt osobliwy (studnię nieskończonej głębokości), w otoczeniu którego potencjał spełnia warunek Gordona (gradient potencjału ze względu...
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INVESTIGATION OF JOURNAL SLIDE BEARINGS UNDER THE ANGLE OF THEIR FUNCTIONING
PublikacjaPaper presents the structure and principle of operation of a stand for measurements of influence of the lubrication method and process on functioning of journal slide bearings in their various technical states. Measurements performed on the stand make it possible to take advantage of the new method of evaluating the influence of physical and chemical properties of lubricating oil on the coefficient of friction in the mixed friction...
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Sensorless induction motor drive with voltage inverter and sine-wave filter
PublikacjaThis paper presents a speed sensorless control system of an induction motor with an output LC filter. It is known that the parameters design of the filter gives sine wave motor supply voltage but complicates control and estimation process. The reason is that the voltage drop and phase shift between filter input and output signals are imposed, and hence the motor voltages and currents differ from the inverter output waveforms. To...
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Synergistic effect of multi walled carbon nanotubes and reduced graphene oxides in natural rubber for sensing application
PublikacjaUtilizing the electrical properties of polymer nanocomposites is an important strategy to develop high performance solvent sensors. Here we report the synergistic effect of multi walled carbon nanotubes (MWCNTs) and reduced graphene oxide (RGO) in regulating the sensitivity of the naturally occurring elastomer, natural rubber (NR). Composites were fabricated by dispersing CNTs alone and together with exfoliated RGO sheets (thermally...
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Two tests for adhesive bonding long term characterization: principles and applications
PublikacjaThis article describes recent refinement of the traditional wedge test technique used to characterize durability of the adhesive joints. We propose two types of measuring protocols to monitor precisely and continuously the propagation of an "effective" crack during long term mode I fracture mechanic test. First method is directly derived from the traditional wedge test technique and consist in monitoring the surface strain of adherent...
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Process zone in the Single Cantilever Beam under transverse loading. - Part I: Theoretical analysis
PublikacjaSingle Cantilever Beam (SCB) specimen loaded with a transverse force parallel to the crack front is proposed for the analysis of crack propagation phenomena under mixed mode conditions. The stress redistribution in the adhesive layer in the vicinity of the crack front so as the beam deformation are estimated using a Timoshenko beam on elastic foundation model. This model emphasizes the Mode II contribution due to flexural beam...
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Effectiveness of a mathematical model in simulating nonlinear mechanical behaviour of a seismic isolation system made of polymeric bearings
PublikacjaThe present study was focused on determining the effectives of a nonlinear mathematical model in simulating complex mechanical behaviour of a seismic isolation system made of Polymeric Bearings. The proposed mathematical model defines the lateral force as a nonlinear function of the shear displacement and the deformation velocity. The effectiveness of the proposed mathematical model was verified by comparing the seismic response...
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HYGRO-MAGNETIC VIBRATION OF THE SINGLE-WALLED CARBON NANOTUBE WITH NONLINEAR TEMPERATURE DISTRIBUTION BASED ON A MODIFIED BEAM THEORY AND NONLOCAL STRAIN GRADIENT MODEL
PublikacjaIn this study, vibration analysis of single-walled carbon nanotube (SWCNT) has been carried out by using a refined beam theory, namely one variable shear deformation beam theory. This approach has one variable lesser than a contractual shear deformation theory such as first-order shear deformation theory (FSDT) and acts like classical beam approach but with considering shear deformations. The SWCNT has been placed in an axial or...
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Magnetic signature reproduction of ferromagnetic ships at arbitrary geographical position, direction and depth using a multi-dipole model
PublikacjaThe reproduction of magnetic signatures is an important issue concerning the safety of ship traffic, as well as the identification and classification of vessels. Moreover, military applications of magnetic signatures and their reproduction refer to the activation or protection against activation of magnetic naval mines. Previous works on this subject focused on recording and replicating the signatures under the same conditions...
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Longitudinal Motion Due to Action of Tunnel Thrusters
PublikacjaTunnel thrusters are propulsion and active control devises that provide a side force, or transverse thrust, to support mooring operations or position keeping. They shorten the time of manoeuvring, reduce the cost of towage and since inception, manoeuvrability specifically in ports has become a lot easier. Tunnel thrusters can either be operated manually or with the help of Dynamic Positioning systems which makes it even more efficient. Theoretically,...
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A Simple Neural Network for Collision Detection of Collaborative Robots
PublikacjaDue to the epidemic threat, more and more companies decide to automate their production lines. Given the lack of adequate security or space, in most cases, such companies cannot use classic production robots. The solution to this problem is the use of collaborative robots (cobots). However, the required equipment (force sensors) or alternative methods of detecting a threat to humans are usually quite expensive. The article presents...
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The finite-difference simulation of x-rays propagation through a system of lenses
PublikacjaThe propagation of X-ray waves through an optical system consisting of 33 aluminum X-ray refractive lenses is considered. For solving the problem, a finite-difference method is suggested and investigated. It is shown that very small steps of the difference grid are necessary for reliable computation of propagation of X-ray waves through the system of lenses. It is shown that the wave phase is a function very quickly increasing...
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The importance and availability of marine certified reference materials
PublikacjaTraceability and reliable results are the two pillars of analytical methods; certified reference materials (CRMs) meet this requirement. ISO 17034:2016 credentials provide brief information on general requirements for the competence of Reference Material Producers (RMPs). The different types of CRMs have been produced in recent years for chemical analysis in food, water, soil, and sediment matrices in recent years. This review...
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The Impact of Lexicon Adaptation on the Emotion Mining From Software Engineering Artifacts
PublikacjaSentiment analysis and emotion mining techniques are increasingly being used in the field of software engineering. However, the experiments conducted so far have not yielded high accuracy results. Researchers indicate a lack of adaptation of the methods of emotion mining to the specific context of the domain as the main cause of this situation. The article describes research aimed at examining whether the adaptation of the lexicon...