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Search results for: ICE JAM DYNAMICS
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RS-REMD Protein-GAG Interaction Dataset in CHARMM36m
Open Research DataThe dataset includes input files, simulation parameters, and analysis scripts used in Repulsive Scaling Replica Exchange Molecular Dynamics (RS-REMD) simulations to study protein–glycosaminoglycan (GAG) interactions. In this study, the RS-REMD method was applied for molecular docking of GAGs and carbohydrates to selected protein targets. Molecular Mechanics...
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Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations
PublicationIn this work, we shall estimate via computer simulations the homogeneous nucleation rate for the methane hydrate at 400 bars for a supercooling of about 35 K. The TIP4P/ICE model and a Lennard-Jones center were used for water and methane, respectively. To estimate the nucleation rate, the seeding technique was employed. Clusters of the methane hydrate of different sizes were inserted into the aqueous phase of a two-phase gas–liquid...
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Structure of Microemulsion Formulated with Monoacylglycerols in the Presence of Polyols and Ethanol
PublicationThe influence of polyols as cosurfactants (propylene glycol PG; glycerol G) and short chain alcohol as a cosolvent (ethanol EtOH) on the formation and solubilization capacity of the systems: hexadecane/monoacylglycerols (MAG)/polyol/water:EtOH, at 60C, was investigated. Electrical conductivity measurement, and the DSC method were applied to determine the structure and type of microemulsions formed. The dimension of the droplets...
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Marine traffic risk modelling – an innovative approach and a case study
PublicationThis paper presents a model to analyse the risk of two common marine accidents: collision and grounding. Attention is focused on oil tankers since they pose the highest environmental risks. A case study in selected areas of the Gulf of Finland in ice-free conditions is presented. The model utilizes a formula for risk calculation that considers both the probability of an unwanted event and its consequences. The model can be decomposed...
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ELECTRICAL CONDUCTIVITY AND pH IN SURFACE WATER AS TOOL FOR IDENTIFICATION OF CHEMICAL DIVERSITY
PublicationIn the present study, the creeks and lakes located at the western shore of Admiralty Bay were analysed. The impact of various sources of water supply was considered, based on the parameters of temperature, pH and specific electrolytic conductivity (SEC25). All measurements were conducted during a field campaign in January-February 2017. A multivariate dataset was also created and a biplot of SEC25 and pH of the investigated waters...
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Investigation on the Sources and Impact of Trace Elements in the Annual Snowpack and the Firn in the Hansbreen (Southwest Spitsbergen)
PublicationWe present a thorough evaluation of the water soluble fraction of the trace element composition (Ca, Sr, Mg, Na, K, Li, B, Rb, U, Ni, Co, As, Cs, Cd, Mo, Se, Eu, Ba, V, Ge, Ga, Cr, Cr, P, Ti, Mn, Zr, Ce, Zn, Fe, Gd, Y, Pb, Bi, Yb, Al, Nb, Er, Nd, Dy, Sm, Ho, Th, La, Lu, Tm, Pr, Tb, Fe, In, Tl) and their fluxes in the annual snowpack and the firn of the Hansbreen (a tidewater glacier terminating in the Hornsund fjord, southwest...
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DMSO hydration redefined: Unraveling the hydrophobic hydration of solutes with a mixed hydrophilic–hydrophobic characteristic
PublicationHydrophobic hydration of solutes with a mixed hydrophilic--hydrophobic characteristics is still poorly understood. This is because both experimental and theoretical methods find it difficult to see the ice-like water structure around the nonpolar solute groups, unlike hydrogen bonds with the hydrophilic groups. In order to unravel this problem, we have investigated DMSO hydration by means of infrared spectroscopy and theoretical...
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Numerical Studies on Propellers in Open Water and behind Hulls aiming to support the Evaluation of Propulsion Tests
PublicationA RANS based numerical analysis of propellers can contribute considerably to our understanding of propeller/hull interaction. It may also allow for a review of scaling procedures on results from experimental fluid dynamics (EFD). Using various RANS codes (Fluent, CFX, STAR-CCM+ and FreSCo+) on common test cases the authors first focused on propeller open water (POW) calculations. Next we simulated the propeller hull interaction...
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Keep It Flexible: Driving Macromolecular Rotary Motions in Atomistic Simulations with GROMACS
PublicationWe describe a versatile method to enforce the rotation of subsets of atoms, e.g., a protein subunit, in molecular dynamics (MD) simulations. In particular, we introduce a “flexible axis” technique that allows realistic flexible adaptions of both the rotary subunit as well as the local rotation axis during the simulation. A variety of useful rotation potentials were implemented for the GROMACS 4.5 MD package. Application to the...
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The Diffusion of Information and Communication Technologies
PublicationThis book provides extensive evidence on information and communication technologies development patterns and dynamics of this process across developed economies over the period 1980 to the present day. It adopts newly developed methodology to identification of the ‘critical mass’ and isolation of technological takeoff intervals, which are intimately related to the process of technology diffusion. The statistically robust analysis...
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Spike patterns and chaos in a map-based neuron model
PublicationThe work studies the well-known map-based model of neuronal dynamics introduced in 2007 by Courbage, Nekorkin and Vdovin, important due to various medical applications. We also review and extend some of the existing results concerning β-transformations and (expanding) Lorenz mappings. Then we apply them for deducing important properties of spike-trains generated by the CNV model and explain their implications for neuron behaviour....
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Sensorless predictive control of three-phase parallel active filter
PublicationThe paper presents the control system of parallel active power filter (APF) with predictive reference current calculation and model based predictive current control. The novel estimator and predictor of grid emf is proposed for AC voltage sensorless operation of APF, regardless of distortion of this voltage. Proposed control system provides control of APF current with high precision and dynamics limited only by filter circuit parameters....
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A SEARCH OF AN INDUCER GEOMETRY THAT IS BENEFICIAL FOR LIFTING PARAMETERS OF A LIFTED OBJECT OF A SELECTED SHAPE
PublicationThe literature describes acoustic levitation phenomena with the utilization of air squeeze film between the vibrating inducer and the lifted object. The objective of the study is to determine the shape of the inducer with vibration characteristics that would allow the levitation of an object of the assumed geometry. In this paper, the influence of the dimension ratio of the inducer on the frequency of the first mode of vibration...
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On the problem of optimised allocation of water quality sensors and actuators in DWDS
PublicationThe problems of water quality sensors and actuators placement in drinking water distribution systems (DWDSs) are addressed as separate, primarily. However, against the background of control systems theory, the nature of DWDSs dynamics indicates that these both problems are interdependent and impact the design of related water quality monitoring and control structures and algorithms. The research work presented in this paper is...
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METHOD OF ROUTING SHIPS SAILING IN DEDICATED ENVIRONMENT
PublicationThe method for determining the suboptimal route of sailing vessels operating in a restricted area of the sea are proposed in the paper. The dynamics of the environment including weather conditions and speed characteristics of ships sailing are considered. As optimiza-tion criterion, measure sailing time T, and the number of maneuvers performed ω, are taken into account. An heuristic algorithm, and the appropriate application routing...
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Game theory-based virtual machine migration for energy sustainability in cloud data centers
PublicationAs the demand for cloud computing services increases, optimizing resource allocation and energy consumption has become a key factor in achieving sustainability in cloud environments. This paper presents a novel approach to address these challenges through an optimized virtual machine (VM) migration strategy that employs a game-theoretic approach based on particle swarm optimization (PSO) (PSO-GTA). The proposed approach leverages...
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Robust asymptotic super twisting sliding mode observer for non-linear uncertain biochemical systems
PublicationThe problem of state estimation (reconstruction of the state vector) for a given class of biochemical systems under uncertain system dynamics has been addressed in this paper. In detail, the bioreactor at a water resource recovery facility represents the considered biochemical systems. The biochemical processes taking place in the bioreactor have been modelled using an activated sludge model. Based on this model, an appropriate...
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Economic Situation in Balkan Countries in the First Decade of 21st Century
PublicationThe recent economic crisis affected most of the countries in the world to a greater or lesser extent, including small economies sector. Small economies are a distinctive group of countries distinguished by particular qualities. They are dependent on trade exchange or international investment stream, and both their aggregate demand and supply, and price level depend on the development of the big economies dynamics. This is the reason...
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Genetic Algorithm Approach for Gains Selection of Induction Machine Extended Speed Observer
PublicationThe subject of this paper is gains selection of an extended induction machine speed observer. A high number of gains makes manual gains selection difficult and due to nonlinear equations of the observer, well-known methods of gains selection for linear systems cannot be applied. A method based on genetic algorithms has been proposed instead. Such an approach requires multiple fitness function calls; therefore, using a quality index...
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Surface diffusion and cluster formation of gold on the silicon (111)
PublicationPurpose: Investigation of the gold atoms behaviour on the surface of silicon by molecular dynamics simulation method. The studies were performed for the case of one, two and four atoms, as well as incomplete and complete filling of gold atoms on the silicon surface. Design/methodology/approach: Investigations were performed by the method of molecular dynamics simulation using the Large-scale Atomic/Molecular Massively Parallel...
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A comprehensive approach to double inverted pendulum modelling
PublicationThe problem of mathematical modelling and indication of properties of a DIP has been investigated in this paper. The aim of this work is to aggregate the knowledge on a DIP modelling using the Euler-Lagrange formalism in the presence of external forces and friction. To indicate the main properties important for simulation, model parameters identification and control system synthesis, analytical and numerical tools have been used....
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Distribution Transformer with Multi-Zone Voltage Regulation for Smart Grid System Application
PublicationThe article presents four concepts of the multi-zone voltage regulation (MZVR) system. It is a combination of a distribution transformer with an on-load tap-changer, for step voltage regulation, and a power electronic converter, dimensioned for a fraction of MZVR power, realizing continuous voltage regulation, supplemented by a special switch, the so-called bypass. This allows voltage regulation at high resolution, wide range and...
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Dynamic effect of the vehicle passing under lightweight footbridge.
PublicationThe paper describes a numerical study of dynamic response of cable-stayed steel footbridge for a big lorry passing underneath. The footbridge is an existing object crossing Wolska street in Warsaw. The structural model of footbridge was verified by dynamic test loading. A numerical study of a vehicle passing under footbridge is presented. 2D and 3D incompressible flow fields are modeled using sliding mesh in transient CFD computation....
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Acceleration deforms exponential decays into generalized Zipf-Mandelbrot laws
PublicationAn exponentially decaying system looks as if its decay was a generalized power or double-exponential law, provided one takes into account the relativistic time dilation in a detector, the delay of the emitted signal, and the accelerations of both the source and the detector. The same mathematical formula can be found in generalizations of the Zipf-Mandelbrot law in quantitative linguistics and in the dynamics of ligand binding...
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Secondary Structure in Free and Assisted Modeling of Proteins with the Coarse-Grained UNRES Force Field
PublicationSecondary structure is a solid scaffold on which the three-dimensional structure of a protein is built. Therefore, care must be taken to reproduce the secondary structure as accurately as possible in the simulations of protein systems. In this chapter, we summarize the physics-based energy terms that govern secondary-structure formation, the auxiliary restraints on secondary structure derived from bioinformatics and from the experimental...
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From flow to jamming: Lattice Gas Automaton simulations in granular materials
PublicationWe introduce the first extension of a Lattice Gas Automaton (LGA) model to accurately replicate observed emergent phenomena in granular materials with a special focus on previously unexplored jamming transitions by incorporating gravitational effects, energy dissipation in particle collisions, and wall friction. We successfully reproduce flow rate evolution, density wave formation, and jamming transition observed in experiments....
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Numerical modelling and experimental verification of compressible squeeze film pressure
PublicationThe validity of using the Reynolds equation for compressible squeeze film pressure was tested with computational fluid dynamics (CFD). A squeeze film air bearing was instrumented with pressure sensors and non-contacting displacement probes to provide transient measurements of film thickness and pressure. The film thickness measurements also provided input parameters to the numerical prediction. However, numerical results showed...
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Standing Waves and Acoustic Heating (or Cooling) in Resonators Filled with Chemically Reacting Gas
PublicationStanding waves and acoustic heating in a one-dimensional resonator filled with chemically reacting gas, is the subject of investigation. The chemical reaction of A ! B type, which takes place in a gas, may be reversible or not. Governing equations for the sound and entropy mode which is generated in the field of sound are derived by use of a special mathematical method. Under some conditions, sound waves propagating in opposite...
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ISSUES OF CLASSIFICATION FUNCTION CONTINUITY IN ENDOSCOPIC VIDEO CLASSIFICATION
PublicationIn the article a new way of analyzing the properties of feature vector functions (FVF) and classiers of images in a video stream is proposed. The general idea is based on focusing of the perceived continuity of the FVF and classier functions. Issues related to creating an exact mathematical model are discussed and a simplied solution is proposed. An exemplary algorithm is evaluated on three exemplary video sequences. The acquired...
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Adaptive dynamic control allocation for over-actuated dynamic positioning system based on backstepping method in case of thruster faults
PublicationThe objective of the research considered in this paper is dynamic positioning of a nonlinear over-actuated marine vessel in the presence of limited information about thruster forces. First, the adaptive backstepping method is used to estimate the input matrix which will compensate partial loss of actuator effectiveness in the presence of actuator dynamics. Then, the adaptive commanded virtual forces and moment are allocated into...
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Solving the Problem of Dynamic Adaptability of Artificial Intelligence Systems that Control Dynamic Technical Objects
PublicationThis paper investigates the increase in the response speed and stability of artificial intelligence systems that control dynamic technical objects. The problem of calculating the optimal time of switching an artificial intelligence system between software classes by the criterion of the rigidity degree of the model of a control object is considered. The solution of this problem is proposed for the general case of the control object...
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Morse decompositions for a population model with harvesting. Case Ha-Se: Harvesting adults only, equal survival rates of juveniles and adults
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Morse decompositions for a population model with harvesting. Case He-S1: Equal harvesting of juveniles and adults, survival rates of juveniles and adults add up to 1
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Morse decompositions for a population model with harvesting. Case Ha-S1: Harvesting adults only, survival rates of juveniles and adults add up to 1
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Morse decompositions for a population model with harvesting. Case He-Se: Equal harvesting and equal survival rates of juveniles and adults
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Morse decompositions for a population model with harvesting. Case Hj-Se: Harvesting juveniles only, equal survival rates of juveniles and adults
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Morse decompositions for a population model with harvesting. Case Hj-S1: Harvesting juveniles only, survival rates of juveniles and adults add up to 1
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Continuation classes for a population model with harvesting. Case He-S1: Equal harvesting of juveniles and adults, survival rates of juveniles and adults add up to 1
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Continuation classes for a population model with harvesting. Case Ha-S1: Harvesting adults only, survival rates of juveniles and adults add up to 1
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Continuation classes for a population model with harvesting. Case He-Se: Equal harvesting and equal survival rates of juveniles and adults
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Continuation classes for a population model with harvesting. Case Hj-S1: Harvesting juveniles only, survival rates of juveniles and adults add up to 1
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Continuation classes for a population model with harvesting. Case Hj-Se: Harvesting juveniles only, equal survival rates of juveniles and adults
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Continuation classes for a population model with harvesting. Case Ha-Se: Harvesting adults only, equal survival rates of juveniles and adults
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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DNA G-quadruplex structures obtained through MD-based folding procedure
Open Research DataThe dataset contains structures of DNA G-quadruplexes (G4s), obtained through steered molecular dynamics simulations, for 128 oligonucleotides capable of forming 3- and 2-tetrad G4s. The general sequence of the oligonucleotides is GxTiGxTjGxTkGx, where x = 3 or 2 for 3- and 2-tetrad G4s, respectively, while i, j, and k vary independently from 1 to 4,...
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DTWO Federated Digital Twins for Offshore Wind Energy Production and Market Demand
ProjectsProject realized in Department of Intelligent Interactive Systems according to Project 101146689 — DTWO agreement from 2024-04-23
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Dynamic Response of the Suspended on a Single Cable Footbridge
PublicationThe article presents numerical simulations, dynamic in situ load tests and a structural health monitoring (SHM) system installed in a suspended on a single cable footbridge. Numerical simulations performed prior to construction indicated the possibility of structural dynamics problems, finally confirmed in the course of dynamic test loading. In the dynamic load course the bridge deck developed vibrations displaying accelerations...
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Vibrational excitation of acetylene by positron impact
PublicationVibrationally inelastic quantum calculations are carried out at low collision energies for the scattering of a beam of positrons off acetylene gaseous molecules. The normal mode analysis is assumed to be valid and the relative fluxes into the C–C and C–H symmetric vibrational modes are computed within a Body-Fixed (BF) formulation of the dynamics by solving the relevant vibrational Coupled Channels (VCC) equations. The clear dominance...
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Excited-state proton transfer and geminate recombination in the molecular cage of β-cyclodextrin
PublicationExcited-state proton transfer and geminate recombination in aqueous heptakis(2,6-di-O-methyl)-β-cyclodextrin have been compared with those in water by monitoring the photoinduced prototropic tautomerization of 6-hydroxyquinoline, which occurs via forming anionic intermediate. Enol deprotonation decelerates by 18 times whereas its reverse process accelerates slightly with encapsulation. The imine protonation of the intermediate...
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Mathematical Models in Design Process of Ship Bow Thrusters
PublicationThe paper describes an application of simulation models for computer-aided design of ship bow thrusters. Generation of simulation models of ship bow thruster requires development and verifying of mathematical models of system component elements. Using the results of simulation the expert system is able to determine, that the rules of classification societies are met. Design procedures and mathematical models are part of an expert...
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Mathematical Models in Design Process of Ship Bow Thrusters
PublicationThe presentation is about an application of simulation models for computer-aided design of ship bow thrusters. Generation of simulation models of ship bow thruster requires development and verifying of mathematical models of system component elements. Using the results of simulation the expert system is able to determine, that the rules of classification societies are met. Design procedures and mathematical models are part of an...