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Specific Binding of Cholesterol to the Amyloid Precursor Protein: Structure of the Complex and Driving Forces Characterized in Molecular Detail
PublicationC99 is the C-terminal membrane-bound fragment of the amyloid precursor protein that is cleaved by γ-secretase to release Aβ peptides, the hallmark of Alzheimer’s disease (AD). Specific interactions of C99 with cholesterol have been proposed to underlie the recognized role of cholesterol in promoting amyloidogenesis. By using molecular dynamics simulations, we studied cholesterol binding to C99 in a lipid bilayer. We determined...
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Photophysics of Ru(II) Dyads Derived from Pyrenyl-Substitued Imidazo[4,5-f][1,10]phenanthroline Ligands.
PublicationThe photophysics of a series of Ru(II) dyads based on the 2-(1-pyrenyl)-1H-imidazo[4,5-f][1,10]-phenanthroline ligand was investigated. The ability of these metal complexes to intercalate DNA and induce cell death upon photoactivation makes them attractive photosensitizers for a range of photobiological applications, including photodynamic therapy. In the present study, time-resolved transient absorption and emission spectroscopy...
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An Island of Connectedness: Intra-Insular and Inter-Regional Communications of Rab Island (North-East Adriatic, Kvarner Gulf), Croatia
PublicationDrawing from archaeological data on Prehistoric and Roman settlement patterns, and respective sepulchral features, just as on later historic and cartographic sources, in this contribution it will be shown how movement along with mobility influenced on and were an integral part of settlement dynamics on the island of Rab (NE Adriatic, Croatia). The employed approach sees the practice of movement as dependent on specific social...
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One-dimensional chaos in a system with dry friction: analytical approach
PublicationWe introduce a new analytical method, which allows to find chaotic regimes in non-smooth dynamical systems. A simple mechanical system consisting of a mass and a dry friction element is considered. The corresponding mathematical model is being studied. We show that the considered dynamical system is a skew product over a piecewise smooth mapping of a segment (the so-called base map). For this base map we demonstrate existence of...
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A new approach to designing control of dissolved oxygen and aeration system in sequencing batch reactor by applied backstepping control algorithm
PublicationThe Wastewater Treatment Plant (WWTP) is a very complex system, due to its nonlinearity, time-variance, and multiple time scales in its dynamics among others. The most important control parameter in a WWTP is the Dissolved Oxygen (DO) concentration. The tracking problem of the DO concentration is one of the most fundamental issues in biological wastewater treatment. Proper DO concentration control is necessary to achieve adequate...
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Identification of ship’s hull mathematical model with numerical methods
PublicationThe modern maritime industry is moving toward the development of technology that will allow for full or partial autonomy of ship operation. This innovation places high demands on ship performance prediction techniques at the design stage. The researchwork presented in the article is related to the design stage of the ship and concerns methods for prognosis and evaluation of the specific operational condition of the ship, namely...
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About definition of modes and magnetosonic heating in a plasma’s flow: Especial cases of perpendicular and nearly perpendicular wave vector and magnetic field
PublicationDynamics of hydrodynamic perturbations in a plasma depend strongly on an angle between the wave vector and equilibrium straight magnetic field. The case of perpendicular propagation is especial. There are only two (fast) magnetosonic modes since two (slow) ones degenerate into the stationary one with zero speed of propagation. This demands individual definition of wave modes by the links of hydrodynamic relations. These links are...
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Automatic Regularization by Quantization in Reducible Representations of CCR: Point-Form Quantum Optics with Classical Sources
PublicationElectromagnetic fields are quantized in a manifestly covariant way by means ofa class of reducible "center-of-mass N-representations" of the algebra of canonical commutationrelations (CCR). The four-potential Aa(x) transforms in these representations as aHermitian four-vector field in Minkowski four-position space (without change of gauge), butin momentum space it splits into spin-1 massless photons and two massless scalars. Whatwe...
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Sieć sensorowa do rejestracji drgań górnej sieci trakcyjnej w celach diagnostyki eksploatacyjnej
PublicationWraz ze wzrostem prędkości kolejowych pojazdów elektrycznych zwiększają się wymagania utrzymania sieci trakcyjnej w odpowiednim stanie technicznym. Ciągły monitoring i diagnostyka pozwalają wykrywać pogarszającą się jakość odbioru prądu z sieci jezdnej. Jedną z metod jest umieszczenie czujników przyspieszenia na przewodzie jezdnym. Analiza przebiegu przyspieszenia pozwala określić jakość współpracy sieci jezdnej z pantografem....
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Analiza drgań przewodu jezdnego sieci trakcyjnej w aspekcie oceny jej stanu technicznego.
PublicationGórna sieć trakcyjna jest nadal najefektywniejszym sposobem zasilania kolejowych pojazdów elektrycznych. Sieć jezdna nie ma możliwości technicznych redundancji, co wymaga okresowej oceny stanu technicznego w celu zapewnienia prawidłowej współpracy z odbierakami prądu pojazdów. W artykule przedstawiono aspekty oceny stanu technicznego górnej sieci trakcyjnej na podstawie modelowania matematycznego i wybranych badań laboratoryjnych....
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Multi-mode vibronic interactions in the five lowest electronic states of the fluorobenzene radical cation
PublicationThe multi-mode vibronic interactions between the five lowest electronic states of the fluorobenzene radical cation are investigated theoretically, based on ab initio electronic structure data, and employing the linear vibronic coupling model. Low-energy conical intersections, and strong vibronic couplings are found to prevail within the set of X-A and B-C-D cationic states, while the interactions between these two sets of states...
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Objectivity in the non-Markovian spin-boson model
PublicationObjectivity constitutes one of the main features of the macroscopic classical world. An important aspect of the quantum-to-classical transition issue is to explain how such a property arises from the microscopic quantum theory. Recently, within the framework of open quantum systems, there has been proposed such a mechanism in terms of the so-called spectrum broadcast structures. These are multipartite quantum states of the system...
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Localization and Orientation of Xanthophylls in a Lipid Bilayer
PublicationXanthophylls (polar carotenoids) play diverse biological roles, among which are modulation of the physical properties of lipid membranes and protection of biomembranes against oxidative damage. Molecular mechanisms underlying these functions are intimately related to the localization and orientation of xanthophyll molecules in lipid membranes. In the present work, we address the problem of localization and orientation of two xanthophylls...
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Swarm-Assisted Investment Planning of a Bioethanol Plant
PublicationBioethanol is a liquid fuel for which a significant increase in the share of energy sources has been observed in the economies of many countries. The most significant factor in popularizing bioethanol is the profitability of investments in construction of facilities producing this energy source, as well as the profitability of its supply chain. With the market filled with a large amount of equipment used in the bioethanol production...
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Identification of transition curves in vehicular roads and railways
PublicationIn the paper attention is focused on the necessity to systematize the procedure for determining the shape of transition curves used in vehicular roads and railway routes. There has been presented a universal method of identifying curvature in transition curves by using differential equations. Curvature equations for such known forms of transition curves as clothoid, quartic parabola, the Bloss curve, cosinusoid and sinusoid, have...
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Magnetoacoustic heating in a quasi-isentropic magnetic gas
PublicationThe nonlinear heating of a plasma which associates with the transfer of energy of magnetoacoustic waves into that of the entropy mode, is analytically studied. A plasma is uniform and motionless at equilibrium. Perturbations in a plasma are described by a system of ideal magnetohydrodynamic equations. The equilibrium straight magnetic strength and the wave vector form a constant angle which varies from 0 to π/2. There exist four...
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Refined theoretical study of radiative association: Cross sections and rate constants for the formation of SiN
PublicationRadiative association of silicon mononitride (SiN) in its two lowest molecular electronic states is studied through quantum and classical dynamics. Special attention is paid to the behavior of the cross section at high collision energies. A modified expression for the semiclassical cross section is presented which excludes transitions to continuum states. This gives improved agreement with quantum mechanical perturbation theory...
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Hydration of Simple Model Peptides in Aqueous Osmolyte Solutions
PublicationThe biology and chemistry of proteins and peptides are inextricably linked with water as the solvent. The reason for the high stability of some proteins or uncontrolled aggregation of others may be hidden in the properties of their hydration water. In this study, we investigated the effect of stabilizing osmolyte–TMAO (trimethylamine N-oxide) and destabilizing osmolyte–urea on hydration shells of two short peptides, NAGMA (N-acetyl-glycine-methylamide)...
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Effect of Pin Shape on Thermal History of Aluminum-Steel Friction Stir Welded Joint: Computational Fluid Dynamic Modeling and Validation
PublicationThis article studied the effects of pin angle on heat generation and temperature distribution during friction stir welding (FSW) of AA1100 aluminum alloy and St-14 low carbon steel. A validated computational fluid dynamics (CFD) model was implemented to simulate the FSW process. Scanning electron microscopy (SEM) was employed in order to investigate internal materials’ flow. Simulation results revealed that the mechanical work...
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„Eulerian – Eulerian” versus ,,Eulerian –Lagrangean” models of condensation
PublicationLiquid phase in the flowing vapor through stages of the steam turbine is the cause of a lot of failures. Nowadays, due to work of steam turbines at partial load, process of homogeneous and heterogeneous condensation still is current. The formation of drops of condensate under conditions other than nominal operation of turbine is a process still unknown. Engineers and designers involved in the development of power station machines...
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ICT Diffusion Trajectories and Economic Development: Empirical Evidence for 46 Developing Countries
PublicationIn economic theory, technology is treated as a crucial factor contributing significantly to economic development. Seminal works of Schumpeter (Theory of economic development. Transaction Publishers, New Brunswick, 1934, J Econ Hist 7:149–159, 1947), Baumol (Am Econ Rev 76:1072–1084, 1986), Gerschenkron (Economic backwardness in economic perspective. Belknap Press, Cambridge, MA, 1962) or Abramovitz (J Econ Hist 46(2):385–406, 1986)...
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Study of Icosahedral Clusters in Close-packed Simple Liquids
PublicationThe local structure of liquid copper was determined using Steinhardt order parameters, with particular attention paid to icosahedral clusters. The positions of atoms were obtained from three sets of molecular dynamics simulations, with the forces obtained from: the Sutton-Chen (SC) potential, the Naval Research Laboratory total energy tight-binding (NRL-TB) method and the divide-and-conquer learn-on-the-fly (DCLOTF) method, respectively....
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Updating Finite Element Model of a Wind Turbine Blade Section Using Experimental Modal Analysis Results
PublicationThis paper presents selected results and aspects of themultidisciplinary and interdisciplinary research oriented for the experimental and numerical study of the structural dynamics of a bend-twist coupled full scale section of awind turbine blade structure.Themain goal of the conducted research is to validate finite elementmodel of themodified wind turbine blade section mounted in the flexible support structure accordingly to the...
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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublicationDensity functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFTMD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in...
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Why is TASK Quarterly a Significant Journal to Publish Your Article? —A Bibliometric Analysis of a Scientific and Technical Journal
PublicationA bibliometric analysis of TASK Quarterly in the years 1997-2021 in terms of various bibliometric indicators was performed to celebrate the 25th anniversary of the publication of the first issue of the journal. The number of publications and citations increased over the mentioned span of years. The leading countries in terms of the greatest number of papers published in TASK Quarterly are Poland, Italy, Germany, Ukraine, USA and...
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Four Degree-of-Freedom Hydrodynamic Maneuvering Model of a Small Azipod-Actuated Ship With Application to Onboard Decision Support Systems
PublicationThe main contribution of this paper is a numerical ship motion model of NTNU’s research vessel Gunnerus, capturing the surge, sway, roll, and yaw dynamics when sailing in uniform and steady currents. The model utilizes a crossflow drag formulation for the transverse viscous loads, and it includes a nonlinear formulation for the propulsion and steering loads provided by two azipod thrusters. A wide range of experimental data obtained...
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POLAND’S ENERGY DEPENDENCE AT THE TURN OF THE 21ST CENTURY
PublicationThe following article is an attempt to assess Poland's energy independence in the years 1993-2020. The main aim of the paper is to present Poland's dependence on raw materials from foreign partners - in the field of imports of electricity, natural gas, crude oil, non-renewable energy resources, i.e., hard coal and lignite, and the country's dynamics in the amount of imports. In addition, the aim of the work is to answer research...
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A novel hierarchically-porous diamondized polyacrylonitrile sponge-like electrodes for acetaminophen electrochemical detection
PublicationA novel composite electrode material consisting of tangled fibrous polyacrylonitrile-based hierarchically-struc- tured nanocomposites has been produced by wet-spinning, carbonized and decorated with a carbon nano- architecture by microwave plasma-enhanced chemical vapor deposition and investigated as a metal-free electrode for the enhanced electrochemical detection of acetaminophen. Surprisingly, the hierarchical fiber ar- chitecture...
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A coarse‐grained approach to NMR ‐data‐assisted modeling of protein structures
PublicationThe ESCASA algorithm for analytical estimation of proton positions from coarse-grained geometry developed in our recent work has been implemented in modeling protein structures with the highly coarse-grained UNRES model of polypeptide chains (two sites per residue) and nuclear magnetic resonance (NMR) data. A penalty function with the shape of intersecting gorges was applied to treat ambiguous distance restraints, which automatically...
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Constrained aerodynamic shape optimization using neural networks and sequential sampling
PublicationAerodynamic shape optimization (ASO) involves computational fluid dynamics (CFD)-based search for an optimal aerodynamic shape such as airfoils and wings. Gradient-based optimization (GBO) with adjoints can be used efficiently to solve ASO problems with many design variables, but problems with many constraints can still be challenging. The recently created efficient global optimization algorithm with neural network (NN)-based prediction...
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Numerical investigation of multiphase blood flow coupled with lumped parameter model of outflow
PublicationPurpose The purpose of this paper is the application of the computational fluid dynamics model simulating the blood flow within the aorta of an eight-year-old patient with Coarctation of Aorta. Design/methodology/approach The numerical model, based on commercial code ANSYS Fluent, was built using the multifluid Euler–Euler approach with the interaction between the phases described by the kinetic theory of granular flow (KTGF). Findings A...
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Opinia techniczna dotycząca analizy wiatrowej, wykonanej na podstawie wyników symulacji CFD
PublicationCelem opracowania jest oszacowanie obciążenia środowiskowego generowanego wiatrem działającego na fasadę Zespołu Dwóch Budynków Biurowych realizowanych przez Zamawiającego na nieruchomości położonej w Gdańsku przy Al. Grunwaldzkiej 343-345. Zakres opracowania obejmuje: • analizę dokumentacji obiektu oraz sąsiadującej zabudowy pod kątem szacowania wpływu oddziaływania wiatru na budowlę; • analizę możliwości zastosowania wskazań...
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Simulations of hydro-fracking in rock mass at meso-scale using fully coupled DEM/CFD approach
PublicationThe paper deals with two-dimensional (2D) numerical modelling of hydro-fracking (hydraulic fracturing) in rocks at the meso-scale. A numerical model was developed to characterize the properties of fluid-driven fractures in rocks by combining the discrete element method (DEM) with computational fluid dynamics (CFD). The mechanical behaviour of the rock matrix was simulated with DEM and the behaviour of the fracturing fluid flow...
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Fluid Mechanics, L/L/E, DaPE, sem. 04, summer 21/22 (PG_00050282)
e-Learning CoursesLECTURES Introduction and basic definitions. Properties of fluids. Models of fluids. Fluids in equilibrium. Determination of hydrostatic forces. Archimedes" law. Methods of fluid flow description. General motion of fluid. Deformation of fluid element. Vortex motion of fluid. Principles of conservation of mass, momentum and energy. Balance of entropy. Navier-Stokes equation. Bernoulli equation. Similarity of flow phenomena. Potential...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 218-224, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 239-245, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 225-231, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 267-273, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 281-287, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 295-301, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 211-217, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 302-308, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 253-259, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 274-280, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 246-252, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 288-294, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 260-266, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 232-238, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 204-210, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 1-7, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...