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Search results for: moleular modelling
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Improving performance of large thrust bearings through modeling and experimentation
PublicationLarge thrust bearings are highly loaded machine elements and their failures cause serious losses. Start ups and stoppages of the bearing under load are specially critical regimes of operation. Load carrying capacity depends on the profile of the oil gap. In transient states this profile is also changing. In the design of large thrust bearings minimizing thermo-elastic deformations is an important goal, which can be accomplished...
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Accurate modeling of quasi-resonant inverter fed IM drive
PublicationIn this paper wide-band modeling methodology of a parallel quasi-resonant dc link inverter (PQRDCLI) fed induction machine (IM) is presented. The modeling objective is early-design stage prediction of conductive electromagnetic interference (EMI) emissions of the considered converter fed IM drive system. Operation principles of the selected topology of PQRDCLI feeding IM drive are given. Modeling of the converter drive system is...
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Determinants of the Internationalization of Family Firms - a Structural Eqquation Modeling Analysis
PublicationCurrently, international behaviors of family businesses (FBs) attract a growing interest of researchers. In an increasingly competitive environment, numerous FBs are forced to expand into foreign markets in search for ways to survive or grow. The article is both theoretical and empirical. In the theoretical part it presents theoretical concepts of FBs internationalization, especially determinants for their going international....
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Modeling of truss with cold-formed section and positive eccentricity in the node
PublicationThis work is dedicated to establishing the load carrying capacity of tensed and compressed truss’ nodes made of cold-formed open cross sections. The occurrence of bending in the truss’ nodes is the result of a specific production technology for system lattice girders assumed by the designer and the producer. The aim of this research is to present the methodology of conduct for creation of computational models that best depict the...
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Modeling the Influence of Salts on the Critical Micelle Concentration of Ionic Surfactants
PublicationWe show for the first time that a phenomenological, augmented volume-based thermodynamics (aVBT) model is capable to predict the critical micelle concentrations of ionic surfactants, including ionic liquids, with added salts. The model also adjusts for the type of salt added by including its molecular volume, which might form a connection to the Hofmeister effect. The other physico-chemically relevant quantities included in the...
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GROUP COMPOSER - System for Modeling Agents’ Team Building for Tasks
PublicationMulti-agent systems consist of many autonomous units, called agents, that can interact when trying to achieve their goals. The selection of interaction partners is called team formation. Three basic approaches can be considered to match multi-agent system resources to the problem at hand. To research the properties of different approaches, a software for modeling team formation in multi-agent systems has been created and is presented...
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CFD modeling of a diesel evaporator used in fuel cell systems
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Modeling of broadband light source to use with optical coherenttomography system
PublicationW pracy przedstawiono modelowanie źródeł szerokopasmowych na potrzeby systemów koherentnej tomografii optycznej z punktu widzenia uzyskiwanej zdolności podłużnej i jakości otrzymywanych obrazów. Pokazano na przykładzie źródła szerokopasmowego wykorzystującego światłowód fotoniczny do generacji w wyniku zjawisk nieliniowych ''supercontinuum'' wpływ kształtowania wiązki na możliwości pomiarowe systemu OCT.
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Design and modeling of the piezoelectric motor based on three resonance actuators
PublicationThis paper describes a piezoelectric motor which combines advantages from two existing piezoelectric motors topologies. The research work presents the design, simulations and measurements of the piezoelectric motor with three rotation-mode actuators. The aim of the project was to obtain the high speed piezoelectric motor. Other advantages of this conception are blocking torque, short response times, the ability to work in a hostile...
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Modeling of multi-cavity Fabry-Perot optical fiber sensors
PublicationReflectance characteristics of a two-cavity extrinsic Fabry-Perot optical fiber sensor were investigated using computer modeling. Calculations were performed using a plane wave-based approach, selected for clarity of results. Based on the modeling results, it can be concluded that the two-cavity Fabry-Perot interferometer can be used to measure two different quantities, such as refractive index and temperature, independently. It...
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Reliable Microwave Modeling By Means of Variable-Fidelity Response Features
PublicationIn this work, methodologies for low-cost and reliable microwave modeling are presented using variable-fidelity response features. The two key components of our approach are: (i) a realization of the modeling process at the level of suitably selected feature points of the responses (e.g., S-parameters vs. frequency) of the structure at hand, and (ii) the exploitation of variable-fidelity EM simulation data, also for the response...
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Modeling of traffic safety indictors on Polish national road network
PublicationAlthough decreased from 2001 to 2013, Poland’s road deaths improved at a slower rate than the rest of the EU, leaving Poland as one of the worst road safety performing countries in the EU. The national road network in Poland, despite the dynamic transformation and development, still does not conform to the EU safety standards. Similar situation exists in other EU countries, particularly those in Central and Eastern Europe. Safety...
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New approach to railway noise modeling employing Genetic Algorithms
PublicationMain goal of this paper was to describe an innovative method of noise prediction based on Genetic Algorithms. First part of the paper addresses the problem of growing noise, mainly in the context of a unified method for measuring noise. Further, Genetic Algorithms are described with regards to their fundamental features. Further a description is provided as to how Genetic Algorithms were used in the area of noise modeling. Next...
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Application of PL-Grid Platform for Modeling of the Selected Acoustic Phenomena
PublicationDomain grids are specific computational environments, developed within the PLGrid Plus project. For the Acoustic domain grid two supercomputer grid based services were prepared. Dedicated software consists of the outdoor sound propagation module and psychoacoustical noise dosimeter. The results are presented in a form of maps of sound level and Temporary Threshold Shift (TTS) values, therefore the services may play an informative...
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Modeling of lapping plate wear and conditioning in single-sided lapping
PublicationIn order to achieve higher quality on worked surfaces with lower roughness, very high accuracy of shape and dimensions it is crucial to improve conventional finishing technologies and to develop new working principles. Single-sided lapping is one of the most effective planarization technologies and it is determined by a number of factors and boundary conditions. The most significant influence over a dimensional and profile accuracy,...
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Modeling of luminance distribution in CAVE-type virtual reality systems
PublicationAt present, one of the most advanced virtual reality systems are CAVE-type (Cave Automatic Virtual Environment) installations. Such systems are usually consisted of four, five or six projection screens and in case of six screens arranged in form of a cube. Providing the user with a high level of immersion feeling in such systems is largely dependent of optical properties of the system. The modeling of physical phenomena plays nowadays...
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Modeling of Ice Passage Through Reservoirs System on the Vistula River
PublicationNumerical model was used to assess ice passage through proposed reservoir on the lower Vistula River. Model results were compared with observation on the Vistula River, but because the dam is not constructed yet, the direct comparison was not possible. The study focused on ice movement and accumulation in the reservoir for variety of low flow condition with and without wind effect. Bridge’s piers in the upper part of the reservoir...
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Numerical modeling of sound intensity distributions around acoustic transducer
PublicationThe aim of this research study is to measure, simulate and compare sound intensity distribution generated by the acoustic transducers of the loudspeaker. The comparison of the gathered data allows for validating the numerical model of the acoustic radiation. An accurate model of a sound source is necessary in mathematical modeling of the sound field distribution near the scattering obstacles. An example of such obstacle is a human...
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Analytical modeling of electric drives for vehicle traction control systems
PublicationWheel-torque control bandwidth in vehicle dynamics model is crucial in evaluating optimal tracking ability of tire slip and in analysis of control system stability. Electric drives’ control dynamics are influenced by timing of digital control events, e.g. by sampling instant of motor currents. Reflecting this timing in drive analytical models is therefore important for analysis of vehicle traction systems. The paper considers five...
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FEM modeling of structures based on close range digital photogrammetry
PublicationPraca dotyczy metodologii przygotowania modelu konstrukcji istniejącej do analizy mechanicznej metodą element ow skończonych. MOdelowanie geometrii budowli jest oparte na danych pozyskanych z pomiarów fotogrametrycznych. Praca wskazuje na możliwości oraz efektywność zastosowania metod optometrycznych w rewitalizacji budowli zabytkowych, an przykładzie modelu dachu drewnianego.
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Temperature-dependent structure-property modeling of viscosity for ionic liquids
PublicationIn this paper we present the methodology for assessing the ionic liquids' viscosity at six temperature points (25, 35, 45, 50, 60 and 70 [C]), which utilizes only the in silico approach. The main idea of such assessment is based on the "correction equation" describing the correlation between experimentally measured viscosity and theoretically derived density (calculated with use of molecular mechanics), given at 6 different temperature...
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Performance and Power-Aware Modeling of MPI Applications for Cluster Computing
PublicationThe paper presents modeling of performance and power consumption when running parallel applications on modern cluster-based systems. The model includes basic so-called blocks representing either computations or communication. The latter includes both point-to-point and collective communication. Real measurements were performed using MPI applications and routines run on three different clusters with both Infiniband and Gigabit Ethernet...
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Modeling the global atmospheric transport and deposition of mercury to the Great Lakes
PublicationMercury contamination in the Great Lakes continues to have important public health and wildlife ecotoxicology impacts, and atmospheric deposition is a significant ongoing loading pathway. The objective of this study was to estimate the amount and source-attribution for atmospheric mercury deposition to each lake, information needed to prioritize amelioration efforts. A new global, Eulerian version of the HYSPLIT-Hg model was used...
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Thermodynamic modeling of combustion process of the internal combustion engines – an overview
PublicationThe mathematical description of combustion process in the internal combustion engines is a very difficult task, due to the variety of phenomena that occurring in the engine from the moment when the fuel-air mixture ignites up to the moment when intake and exhaust valves beginning open. Modeling of the combustion process plays an important role in the engine simulation, which allows to predict incylinder pressure during the combustion,...
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POM/EVA Blends with Future Utility in Fused Deposition Modeling
PublicationPolyoxymethylene (POM) is one of the most popular thermoplastic polymers used in the industry. Therefore, the interest in its potential applications in rapid prototyping is understandable. Nevertheless, its low dimensional stability causes the warping of 3D prints, limiting its applications. This research aimed to evaluate the effects of POM modification with ethylene-vinyl acetate (EVA) (2.5, 5.0, and 7.5 wt.%) on its processing...
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Characterization of Defects Inside the Cable Dielectric With Partial Discharge Modeling
PublicationThe continuous monitoring of power system devices is an important step toward keeping such capital assets safe. Partial discharge (PD)-based measurement tools provide a reliable and accurate condition assessment of power system insulations. It is very common that voids or cavities exist in every solid dielectric insulation medium. In this article, different voids are modeled and analyzed using an advanced finite element (FE)-based...
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Electromagnetic Modeling of Microstrip Elements Aided with Artificial Neural Network
PublicationThe electromagnetic modeling principle aided withartificial neural network to designing the microwave widebandelements/networks prepared in microstrip technology is proposedin the paper. It is assumed that the complete information is knownfor the prototype design which is prepared on certain substratewith certain thickness and electric permittivity. The longitudinaland transversal dimensions of new design...
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Modeling and Evaluation of Electric Treeing Phenomena in Polymeric Cable Insulation
PublicationThis paper investigates the treeing phenomenon in polymeric materials such as crosslinked polyethylene (XLPE) that is widely used in medium and high voltage power cables as primary insulation. The modeling of electrical tree growth in the insulation from its initiation to breakdown is significant research work that illustrates the discharge dynamics and its impact on aging process in polymeric insulation. This study utilizes pulse...
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Global Surrogate Modeling by Neural Network-Based Model Uncertainty
PublicationThis work proposes a novel adaptive global surrogate modeling algorithm which uses two neural networks, one for prediction and the other for the model uncertainty. Specifically, the algorithm proceeds in cycles and adaptively enhances the neural network-based surrogate model by selecting the next sampling points guided by an auxiliary neural network approximation of the spatial error. The proposed algorithm is tested numerically...
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Mainstream shortcut N removal modeling current status and perspectives
PublicationThis work gives an overview of the state-of-the-art in modelling of short-cut processes for nitrogen removal in mainstream wastewater treatment and presents future perspectives for directing research efforts in line with the needs of practice. The modelling status for deammonification (i.e., anammox-based) and nitrite-shunt processes is presented with its challenges and limitations. The importance of mathematical models for considering...
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Dimensionality-Reduced Antenna Modeling with Stochastically Established Constrained Domain
PublicationOver the recent years, surrogate modeling methods have become increasingly widespread in the design of contemporary antenna systems. On the one hand, it is associated with a growing awareness of numerical optimization, instrumental in achieving high-performance structures. On the other hand, considerable computational expenses incurred by massive full-wave electromagnetic (EM) analyses, routinely employed as a major design tool,...
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Mispronunciation Detection in Non-Native (L2) English with Uncertainty Modeling
PublicationA common approach to the automatic detection of mispronunciation in language learning is to recognize the phonemes produced by a student and compare it to the expected pronunciation of a native speaker. This approach makes two simplifying assumptions: a) phonemes can be recognized from speech with high accuracy, b) there is a single correct way for a sentence to be pronounced. These assumptions do not always hold, which can result...
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Wideband Modeling of DC-DC Buck Converter with GaN Transistors
PublicationThe general wideband modeling method of the power converter is presented on the example of DC-DC buck converter with GaN High Electron Mobility Transistors (HEMT). The models of all basic and parasitic components are briefly described. The two methods of Printed Circuit Board (PCB) layout parameter extraction are presented. The results of simulation in Saber@Sketch simulation software and measurements are compared. Next, the model...
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Performance-Based Nested Surrogate Modeling of Antenna Input Characteristics
PublicationUtilization of electromagnetic (EM) simulation tools is mandatory in the design of contemporary antenna structures. At the same time, conducting designs procedures that require multiple evaluations of the antenna at hand, such as parametric optimization or yield-driven design, is hindered by a high cost of accurate EM analysis. To certain extent, this issue can be addressed by utilization of fast replacement models (also referred...
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Comparative analysis of various transformation techniques for voiceless consonants modeling
PublicationIn this paper, a comparison of various transformation techniques, namely Discrete Fourier Transform (DFT), Discrete Cosine Transform (DCT) and Discrete Walsh Hadamard Transform (DWHT) are performed in the context of their application to voiceless consonant modeling. Speech features based on these transformation techniques are extracted. These features are mean and derivative values of cepstrum coefficients, derived from each transformation....
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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...
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Modeling SARS‐CoV‐2 proteins in the CASP‐commons experiment
PublicationCritical Assessment of Structure Prediction (CASP) is an organization aimed at advancing the state of the art in computing protein structure from sequence. In the spring of 2020, CASP launched a community project to compute the structures of the most structurally challenging proteins coded for in the SARS-CoV-2 genome. Forty-seven research groups submitted over 3000 three-dimensional models and 700 sets of accuracy estimates on...
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Systems, Environments, and Soliton Rate Equations: Toward Realistic Modeling
PublicationIn order to solve a system of nonlinear rate equations one can try to use some soliton methods. The procedure involves three steps: (1) find a ‘Lax representation’ where all the kinetic variables are combined into a single matrix ρ, all the kinetic constants are encoded in a matrix H; (2) find a Darboux–Bäcklund dressing transformation for the Lax representation iρ˙=[H,f(ρ)], where f models a time-dependent environment; (3) find...
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SIMPLIFIED MODELING OF STRESS AND DEFLECTION LIMIT STATES OF UNDERGROUND TANKS
PublicationFuel tanks are designed with regard to standard actions and operating conditions. The work analyses the impact of corrosion and other means to variation of stresses and deformation of a horizontal underground tank shell. The computations are preliminary. Due to the long computational time of the entire tank the analysis is restricted to its part only. The full analysis is bound to assess structural reliability, further allowing...
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Two-Stage Variable-Fidelity Modeling of Antennas with Domain Confinement
PublicationSurrogate modeling has become the method of choice in solving an increasing number of antenna design tasks, especially those involving expensive full-wave electromagnetic (EM) simulations. Notwithstanding, the curse of dimensionality considerably affects conventional metamodeling methods, and their capability to efficiently handle nonlinear antenna characteristics over broad ranges of the system parameters is limited. Performance-driven...
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A Novel Approach to Fully Nonlinear Mathematical Modeling of Tectonic Plates
PublicationThe motion of the Earth's layers due to internal pressures is simulated in this research with an efficient mathematical model. The Earth, which revolves around its axis of rotation and is under internal pressure, will change the shape and displacement of the internal layers and tectonic plates. Applied mathematical models are based on a new approach to shell theory involving both two and three-dimensional approaches. It is the...
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Open Data Capability Architecture - An Interpretive Structural Modeling Approach
PublicationDespite of increasing availability of open data as a vital organizational resource, large numbers of startups and organizations fail when it comes to utilizing open data effectively. This shortcoming is attributable to the poor understanding of what types of capabilities are required to successfully conduct data related activities. At the same time, research on open data capabilities and how they relate to one another remains sparse....
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Timing diagrams functionalities in information systems modeling with UML 2
PublicationArtykuł prezentuje aktualną klasyfikację diagramów interakcji języka UML 2 i przedstawia właściwości nowego diagramu tj. diagram harmonogramowania. W artykule omówiono ich istotę oraz podstawowe i zaawansowane kategorie ich modelowania. Diagram ten umożliwia reprezentowanie na osi czasu zmian dopuszczalnych stanów klasyfikatorów uczestniczących w interakcji. Możliwość harmonizacji linii zmian stanów dla większej liczby klasyfikatorów...
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Comparative modeling of shear localization in granular bodies with FEM and DEM
PublicationThe intention of the paper is to compare the calculations of shear zones in granular bodies using two different approaches: a continuum and a discrete one. In the first case, the FEM based on a micro-polar hypoplastic constitutive law was used. In the second case, the DEM was taken advantage of, where contact moments were taken into account to model grain roughness. The comparative calculations were performed for a passive case...
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Modeling of the behavior of granular bodies using DEM with contact moments
PublicationW artykule przedstawiono wyniki symulacji badania trójosiowego dla materiałów granulowanych. Obliczenia wykonano przy zastosowaniu metody DEM. Pokazano wpływ momentów kontaktowych na wytrzymałość próbki. Zbadano wpływ parametrów mikroskopowych.
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Numerical modeling of shear localizations during granular flow in silos.
PublicationW artykule przedstawiono wyniki numerycznej analizy MES dotyczącej przepływów materiałów sypkich w silosach. Omówiono różne metody opisu lokalizacji odkształceń stycznych wewnątrz materiałów. Wyniki porónano z wynikami doświadczalnymi.
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Econtechmod. An International Quarterly Journal on Economics of Technology and Modelling Processes
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Advances in Modelling and Analysis B: Signals, Information, Data, Patterns
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INTERNATIONAL JOURNAL OF NUMERICAL MODELLING-ELECTRONIC NETWORKS DEVICES AND FIELDS
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Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
PublicationThe knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...