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Search results for: MOLECULAR DYNAMICS METHOD
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Numerical modelling of thermodynamics and dynamics of sea ice in the Baltic Sea
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The dynamics of total outputs of Indonesian industrial sectors: A further study
PublicationThe purpose of the current study is to extend the previous studies which analyze the impacts of final demands modifications on the total outputs of industrial sectors of a particular country. More specifically, the study conducts the analysis regarding the impacts on the total outputs of Indonesian industrial sectors. The study employs a demand-pull Input-Output (IO) quantity model, one of the calculation instruments in the IO...
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Dynamics of a simplified HPT model in relation to 24h TSH profiles
PublicationWe propose a simplified mathematical model of the hypothalamus-pituitary-thyroid (HPT) axis in an endocrine system. The considered model is a modification of the model proposed by Mukhopadhyay and Bhattacharyya in [10]. Our system of delay differential equations reconstructs the HPT axis in relation to 24h profiles of human in physiological conditions. Homeostatic control of the thyroid-pituitary axis is considered by using...
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Spectroscopy and Dynamics of Cryptolepine in the Nanocavity of Cucurbit[7]uril and DNA
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Vegetation Dynamics and Diversity Status in Mughal Garden Wah, Pakistan
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Lattice dynamics of HgSe: Neutron scattering measurements andab initiostudies
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Dynamics near nonhyperbolic fixed points or nontransverse homoclinic points
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Dynamics of Systems with a Discontinuous Hysteresis Operator and Interval Translation Maps
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Dynamics of Oxidative Damage at Early Stages of Estrogen-dependant Carcinogenesis
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Dynamics of Organic Cations in Switchable Quinuclidinium Metal Chloride Dielectrics
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Automatic assessment of the hearing aid dynamics based on fuzzy logic
PublicationPrzedstawiono podstawy koncepcyjne systemu dopasowania protez słuchu opartego na logice rozmytej. Przeprowadzono dyskusje na temat metody skalowania głośności. Następnie podano szczegóły procesu aproksymacji funkcji przynależności odzwierciedlające słuchowe wrażenia głośności. Załączono wnioski.
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Interaction of modes in nonlinear acoustics: theory and applications to pulse dynamics.
PublicationOgólna teoria oddziaływania modów hydrodynamicznych opiera się na wyprowadzeniu równań różniczkowych nieliniowych. Mody rozumiane są tu jako wektory własnych układów praw zachowań hydrodynamicznych. Rozpatrywano zjawiska towarzyszące fali akustycznej w przepływie lepkim nieliniowym. Uwzględniono płyny w każdym fizycznym równaniu stanu.
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Simulation of the Dynamics of Renewable Energy Sources with Energy Storage Systems
PublicationThe intermittency of renewable energy sources (RES) constitutes a challenge for effective power system control. Fossil-fuel-based units offering ancillary power services to meet the short-term power imbalance are a financial and environmental burden for the society. Energy storage systems (ESS) can be the solution in view of the electricity market development and growing environmental concern. The major questions are, in what circumstances...
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Dynamics of the small-span railway bridge under moving loads
PublicationThe paper presents the results of dynamic analysis of the small-span railway bridge, subjected to an action of moving trains. Numerical simulations were performed using three different load models: series of moving forces, series of moving single-mass and double-mass oscillators. The parameters of the vehicle were taken from the existing EN57 train. The parameters of the bridge were taken from the existing steel span of 10,24 m...
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Proceedings of the 9th International Conference on Structural Dynamics, EURODYN 2014
PublicationSince offshore wind turbine supporting structures are subjected to dynamic environments with time-varying loading conditions, it is important to model their dynamic behavior and validate these models by means of vibrational experiments. In this paper assessment of dynamical state of the structure is investigated by means of both: numerical modeling, and experimental modal analysis. In experimental modal analysis, capturing the...
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Theoretical Design of the Molecular Structure of Bent-Core Mesogens with Large Second-Order Nonlinear Optical Properties
PublicationABSTRACT: The first hyperpolarizability of two series of moleculeswith bent-shaped structures has been calculated at the ab initio level.The two series consist of carboxyl derivatives for which somemolecules are known to exhibit banana phases and of their sulfinatehomologues that have not been synthesized yet. The final purpose isto reveal the relevance or not in synthesizing these latter molecules.The strategy is based on reporting...
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Fabrication of Bi6Fe2Ti3O18 Ceramics by Mixed Oxide Method
PublicationIn the present study Bi6Fe2Ti3O18 (BFTO) ceramics has been fabricated by solid state reaction from the mixture of simple oxides viz. Bi2O3, TiO2 and Fe2O3. Stoichiometric mixture of the powders was thermally analyzed so parameters of the thermal treatment were determined. The EDS measurements have shown conservation of the chemical composition of the ceramic powder after calcination. Hot-pressing method was used for final densification...
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EFFICIENT LINE DETECTION METHOD BASED ON 2D CONVOLUTION FILTER
PublicationThe article proposes an efficient line detection method using a 2D convolution filter. The proposed method was compared with the Hough transform, the most popular method of straight lines detection. The developed method is suitable for local detection of straight lines with a slope from -45˚ to 45˚. Also, it can be used for curve detection which shape is approximated with the short straight sections. The new method is characterized...
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Engineering method of tire rolling resistance evaluation
PublicationTire rolling resistance is one of the most difficult tire parameters to measure. The reason is that for modern tires the force of rolling resistance corresponds to 0.5–1% of tire load, thus measurements of very small forces must be performed in a heavily loaded system. This constitutes great problems, especially in road conditions. Laboratory measurements are easier to perform, as the environment may be better controlled, but roadwheel...
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MULTI-OBJECTIVE OPTIMIZATION PROBLEM IN THE OptD-MULTI METHOD
PublicationNew measurement technologies, e.g. Light Detection And Ranging (LiDAR), generate very large datasets. In many cases, it is reasonable to reduce the number of measuring points, but in such a way that the datasets after reduction satisfy specific optimization criteria. For this purpose the Optimum Dataset (OptD) method proposed in [1] and [2] can be applied. The OptD method with the use of several optimization criteria is called...
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A VISION-BASED UNMANNED AERIAL VEHICLE NAVIGATION METHOD
PublicationThe satellite navigation systems are the main position sources for unmanned aerial vehicles (UAVs). This fact limits the area of UAVs operation to the places where radio signals is visible for a satellite navigation system receiver, mounted on the vehicle-outdoor navigation. Closed spaced are unavailable for vehicles which navigation is based on global satellite navigation systems (GNSS). Miniature UAV (MiniUAV) is able to operate...
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Expert assessment of arguments: a method and its experimental evaluation
PublicationArgument structures are commonly used to develop and present cases for safety, security and other properties. Such argument structures tend to grow excessively. To deal with this problem, appropriate methods of their assessment are required. Two objectives are of particular interest: (1) systematic and explicit assessment of the compelling power of an argument, and (2) communication of the result of such an assessment to relevant...
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Relativistic calculations of X-ray photoelectron spectra and the accuracy of the IOTC method*
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Low Cost Method for Location Service in the WCDMA System
PublicationA new and low cost method for a location service (LCS) in the Wideband Code Division Multiple Access (WCDMA) system is outlined. This method, which is called TDOA + RTT, enables calculation of the geographical position of a mobile station (MS) without knowledge of relative time differences (RTDs) between base stations (BSs). The TDOA+RTT method is based on the measurement of round trip times (RTTs) between the MS and the serving...
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Palladium versus Platinum: The Metal in the Catalytic Center of a Molecular Photocatalyst Determines the Mechanism of the Hydrogen Production with Visible Light
PublicationTo develop highly efficient molecular photocatalysts for visible light-driven hydrogen production, a thorough understanding of the photophysical and chemical processes in the photocatalyst is of vital importance. In this context, in situ X-ray absorption spectroscopic (XAS) investigations show that the nature of the catalytically active metal center in a (N^N)MCl2 (M=Pd or Pt) coordination sphere has a significant impact on the...
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Analysis of Accuracy of Modified Gradient Method in Indoor Radiolocalisation System
PublicationIn this paper a new method, called modified gradient method, has been proposed for position calculation on the basis of distance measurement in indoor environment. It is shown that well known method of position calculation such as Foy is inefficient in indoor environment. In this article is also described the indoor radiolocalisation system which was used for collecting distance measurements which were employed for further comparative...
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Verification of punching shear outside the shear cap by the direct method
PublicationThe proposition of a method to verify the punching resistance for very large supports based on the EN 1992-1-1 standard is described in this paper. The present standard guidelines for the calculation of the punching resistance for large supports are also summarised. The proposed direct method is compared with other standard methods using an example taken from design practice. This method consists of a direct check of the shear...
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Molecular modeling study of tectoquinone and acteoside from Tectona grandis linn: a new SARS-CoV-2 main protease inhibitor against COVID-19
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Molecular Characterisation of Uterine Endometrial Proteins during Early Stages of Pregnancy in Pigs by MALDI TOF/TOF
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A Method of MOS Evaluation for Video Based Services
PublicationThis paper deals with a method for QoE evaluation for the services transmitting large amount of data perceived by the end user in relatively short time periods, e.g. streaming video in mobile operator...
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A Review: Applications of the Spectral Finite Element Method
PublicationThe Spectral Finite Element Technique (SFEM) has Several Applications in the Sciences, Engineering, and Mathematics, which will be Covered in this Review Article. The Spectral Finite Element Method (SFEM) is a Variant of the Traditional Finite Element Method FEM that Makes use of Higher Order Basis Functions (FEM). One of the most Fundamental Numerical Techniques Employed in the Numerical Simulation is the SFEM, which Outperforms...
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Evaluation of the fast impedance spectroscopy method in the laboratory measurement system
PublicationIn this paper the method for fast impedancespectroscopy of technical objects with very high impedance(|Zx| ≥ 1 GΩ) is evaluated by means of simulation and practicalexperiment. The method is based on excitation of an object, witha square pulse and measurements of voltage and currentresponses with DAQ card. The object impedance spectrum isobtained with use of continuous Fourier transform. Someimprovements of the method concerned...
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Port-based approach to distributed transfer function method
PublicationIn the paper there is presented an uniform, port-based approach to modeling of both lumped and distributed parameter systems. Port-based model of distributed system has been defined by application of distributed transfer function method (DTFM). The approach proposed combines versatility of port - based modeling and accuracy of distributed transfer function method. It enables to formulate appropriate input data for computer analysis...
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Molecular factors involved in the development of diabetic foot syndrome.
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Shape resonance of the ethylene anion stabilized in a molecular trap
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Low-Molecular-Weight Aldehyde Inhibitors of Cathepsin G
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An efficient molecular docking using conformational space annealing
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Lipid-protein interactions in membranes: a molecular modelling study
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Reply to “Comment on ‘Molecular Origin of Anticooperativity in Hydrophobic Association'”
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Role of electronic correlations in the transport characteristics of molecular junctions
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Molecular diagnosis in type I epithelial ovarian cancer
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Usefulness of the voltamperometric method for assessment of the purity of soil
PublicationThis paper presents a voltammetric analysis of soil. It shows that the voltammetry is a useful method for the assessment of soil contaminated with heavy metal ions. There are two major problems with voltammetry analysis: the diffusion coefficient and the measurement system. The paper contains a short literature study of mathematical equations and a study of differences between soil and water measurements. Suggestions of the solution...
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A Method and Device for 3D Recognition of Cutting Edge Micro Geometry
PublicationA very useful method was successfully applied in the investigation of tools for machining wood and wood based composites. It allows scanning of the cutting edge micro geometry in three dimensions and reproducing it in a virtual space as a 3D surface. The application of the method opens new possibilities of studying tool wear by scanning, including the calculation of volume loss and other analysis of tool wedge geometry along and...
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Applying response surface method to optimize the performance of a divergent-chimney solar power plant
PublicationOne of the effective tools to generate electricity from solar energy is Divergent-chimney solar power plant (DSPP). Divergent and cylindrical chimneys of solar power plants have different performances considering turbine pressure drop ratio (ft). For the first time, the divergent angle (DA) and solar radiation (SR) interaction effects on 〖ft〗_opt are discussed through applying the Computational Fluid Dynamics (CFD) and Response...
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Ranking of Generation Source Locations by a Hybrid Multi-Criteria Method
PublicationThe paper presents a ranking of the locations of eight renewable energy sources (RES) made using a hybrid multi-criteria analysis method. The method is a combination of the analytical hierarchical process (AHP) method and numerical taxonomy. The considered generating sources, i.e. solar plants, biogas plants, and wind farms are sources that will significantly contribute to implementing the provisions of the energy and climate package...
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Application of the J-matrix method to multichannel scattering
PublicationIn this contribution we describe the multichannel extension to the nonrelativistic J-matrix method, and present differential cross sections for scattering of slow electrons from Argon atoms. Nonrelativistic phase shifts, then the S-matrix and the cross sections have been calculated using newly developed Fortran code, JMATRIX-MULTI.We applied the model Hartree-Fock potential as the scattering potential, which was truncated in the...
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Rational method of grit chamber efficiency determination
PublicationAlthough grot chambers are designed with utmost care, they still remain difficuly to control. As concentration of grit is non-uniform, representative measurements of the sand concentration is a very complex issue. In the paper the results of measure,ents performed at WTP in Gdańsk and Gdynia were analyzed. The proposed method to determine grit chambers efficiency is based on comparison of suspension flow in the inlet and flux of...
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Efficient Method for the Synthesis of Functionalized Basic Maleimides
PublicationA three-step procedure involving Diels-Alder condensation of maleic anhydride with furane, formation of N-substituted imide upon reaction with appropriate diamine and a final retro Diels-Alder regeneration of the maleic carbon-carbon double bond is proposed for an unequivocal synthesis of N-substituted basic maleimides. The novel method is characterized by mild reaction conditions, easy work-up, high yields and no need for additional...
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Method of lines for Hamilton-Jacobi functional differential equations.
PublicationInitial boundary value problems for nonlinear first order partial functional differential equations are transformed by discretization in space variables into systems of ordinary functional differential equations. A method of quasi linearization is adopted. Suffcient conditions for the convergence of the method of lines and error estimates for approximate solutions are presented. The proof of the stability of the diffrential difference...
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Selective adsorption of BTEX on calixarene-based molecular coordination network determined by 13C NMR spectroscopy
PublicationBenzene, toluene, ethylbenzene, and xylenes (BTEX), a class of volatile organic compounds, are harmful pollutants but also very important precursors in organic industrial chemistry. Among different approaches used for the BTEX treatment, the adsorption technology has been recognized as an efficient approach because it allows to recover and reuse both adsorbent and adsorbate. However, the selective adsorption of the components is...