Wyniki wyszukiwania dla: COMPUTATIONAL FLUID DYNAMICS (CFD)
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Karolina Lademann mgr
OsobyCurriculum vitae
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Numerical modelling of moored floating structures using SPH. Preliminary results
PublikacjaThis article presents partial results of the works carried out under the research project "The development of the methodof modeling the dynamics of the floating (offshore) objects subjected to the environment influence", which aims at developing computational methods for modeling the dynamics of offshore structures.The article contains the description of the method of modeling the hydrodynamic impacts using SPH method and the description...
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Janusz Cieśliński prof. dr hab. inż.
OsobyUrodził się 15 kwietnia 1954 r. w Słupsku. Jest absolwentem Wydziału Budowy Maszyn Politechniki Gdańskiej (1978), z którą związał całe swoje życie zawodowe. W 1986 r. obronił doktorat, w 1997 r. – habilitację, w 2006 r. – uzyskał tytuł profesora. Pełnił funkcje prodziekana ds. nauki Wydziału Mechanicznego przez dwie kadencje (2002–2008) oraz kierownika: Katedry Maszyn Przemysłu Spożywczego (2002–2006), Katedry Ekoinżynierii i...
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Kamil Andrzej Rybacki mgr inż.
OsobyBorn on 23 October 1993 in Gdańsk. In 2017, I have received the M.Sc. Degree at the Faculty of Applied Physics and Mathematics, Gdańsk University of Technology, Poland. My main fields of interest include computer simulations of molecular systems, parallel computing in application to computational physics methods and development of various simulation software. Currently, my research is focused on the development of hybrid Molecular...
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Fluid Mechanics, L/L/E, DaPE, sem. 04, summer 21/22 (PG_00050282)
Kursy OnlineLECTURES 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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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Dane BadawczeThe developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments span a wide range of topics in computational chemistry and are presented in thematic sections: electronic...
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Revalorization of the Szewalski binary vapour cycle
PublikacjaThe aim of the paper is to revalorizate of the Szewalski binary vapour cycle by analysing thermodynamical and operational parameters of this cycle. This was carried by accessible numerical CFM (Computational Flow Mechanics) codes type, by step-by-step modeling of separates apparatus. The binary vapour cycle is providing steam as the working fluid in the high temperature part of the cycle, while another fluid - a low boiling point...
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Application of the fluid–structure interaction technique for the analysis of hydrodynamic lubrication problems.
PublikacjaFluid–structure interaction technique seems to be one of the most promising possibilities for theoretical analysis of lubrication problems. It allows coupling of different physical fields in one computational task, taking into account the interaction between them. In this article, two sets of fluid–structure interaction analyses focusing on the bearing performance evaluation are presented. One analysis was applied to a water-lubricated...
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Co-simulation strategy of transient CFD and heat transfer in building thermal envelope based on calibrated heat transfer coefficients
PublikacjaThe paper presents a strategy to develop a fully transient numerical model of a heat transfer in building, using a transient CFD model of indoor air and a thermal envelope model, running in a co-simulation. The strategy relies on the utilization of RANS with a high-Re turbulence model and a wall function, which enables to use a coarse computational mesh limiting the computational time. Since wall functions give invalid heat transfer...
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Numerical methods in heat and fluid flow, PG_00057408
Kursy OnlineReiteration of information on thermodynamic cycles and extension of information on their modelling using commercial software tools. Presentation of balances, constitutive equations, how to set up conditions in CFD type codes. Equipment regulation and control in the context of heat exchangers.Presentation of the computational capabilities of the CFD calculation code ANSYS Fluent. Mass, momentum and energy balances in 0D and 3D terms.Analysis...
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On the Structure of Time in Computational Semantics of a Variable-Step Solver for Hybrid Behavior Analysis
PublikacjaHybrid dynamic systems combine continuous and discrete behavior. Often, computational approaches are employed to derive behaviors that approximate the analytic solution. An important part of this is the approximation of differential equation behavior by numerical integration. The accuracy and computational efficiency of the integration usually depend on the complexity of the method and its implicated approximation errors, especially...
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An intelligent cellular automaton scheme for modelling forest fires
PublikacjaForest fires have devastating consequences for the environment, the economy and human lives. Understanding their dynamics is therefore crucial for planning the resources allocated to combat them effectively. In a world where the incidence of such phenomena is increasing every year, the demand for efficient and accurate computational models is becoming increasingly necessary. In this study, we perform a revision of an initial proposal...
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Effective method for determining environmental loads on supporting structures for offshore wind turbines
PublikacjaThis paper presents a description of an effective method for determining loads due to waves and current acting on the supporting structures of the offshore wind turbines. This method is dedicated to the structures consisting of the cylindrical or conical elements as well as (truncates) pyramids of polygon with a large number of sides (8 or more). The presented computational method is based on the Morison equation, which was originally...
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Effective method for determining environmental loads on supporting structures for offshore wind turbines
PublikacjaThis paper presents a description of an effective method for determining loads due to waves, current and wind acting on the supporting structures of the offshore wind turbines. This method is dedicated to the structures consisting of the cylindrical or conical elements as well as (truncates) pyramids of polygon with a large number of sides (8 or more). The presented computational method is based on the Morison equation, which was...
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublikacjaIterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using...
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Trust Dynamics Analysis of CTR Scheme Subversion under Virtual Anonymity and Trust-Unaware Partner Selection
PublikacjaWe propose a framework to study Markovian trust value dynamics in a centralized Computational Trust and Reputation (CTR) scheme under trust-unaware partner selection using a mean-value approximation. Analytically founded answers are sought to questions like: Can dishonest agents subvert the CTR scheme (i.e., acquire higher trust values than honest agents)? Is indirect reciprocity incentivized? Is there a qualitative impact of a...
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Anion–water interactions of weakly hydrated anions: molecular dynamics simulations of aqueous NaBF4 and NaPF6
PublikacjaIn aqueous ionic solutions, both the structure and the dynamics of water are altered dramatically with respect to the pure solvent. The emergence of novel experimental techniques makes these changes accessible to detailed investigations. At the same time, computational studies deliver unique possibilities for the interpretation of the experimental data at the molecular level. Here, using molecular dynamics simulations, we demonstrate...
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Explicit solvent repulsive scaling replica exchange molecular dynamics ( RS‐REMD ) in molecular modeling of protein‐glycosaminoglycan complexes
PublikacjaGlycosaminoglcyans (GAGs), linear anionic periodic polysaccharides, are crucial for many biologically relevant functions in the extracellular matrix. By interacting with proteins GAGs mediate processes such as cancer development, cell proliferation and the onset of neurodegenerative diseases. Despite this eminent importance of GAGs, they still represent a limited focus for the computational community in comparison to other classes...
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Topological-numerical analysis of a two-dimensional discrete neuron model
PublikacjaWe conduct computer-assisted analysis of a two-dimensional model of a neuron introduced by Chialvo in 1995 [Chaos, Solitons Fractals 5, 461–479]. We apply the method of rigorous analysis of global dynamics based on a set-oriented topological approach, introduced by Arai et al. in 2009 [SIAM J. Appl. Dyn. Syst. 8, 757–789] and improved and expanded afterward. Additionally, we introduce a new algorithm to analyze the return times...
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Development of a spray-ejector condenser for the use in a negative CO2 emission gas power plant
PublikacjaOne promising solution for developing low-emission power technologies is using gaseous fuel combustion in pure oxygen when the exhaust gas mixture is composed of H2O and CO2, and where CO2 is separated after steam condensation. The paper presents the results of computational analyses providing to the Spray-Ejector Condenser (SEC) development, which is one of the crucial components of the negative CO2 gas power plant (nCO2PP) cycle...
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Periodic Properties of 1D FE Discrete Models in High Frequency Dynamics
PublikacjaFinite element discrete models of various engineering 1D structures may be considered as structures of certain periodic characteristics. The source of this periodicity comes from the discontinuity of stress/strain field between the elements. This behaviour remains unnoticeable, when low frequency dynamics of these structures is investigated. At high frequency regimes, however, its influence may be strong enough to dominate calculated...
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PROPELLER INVESTIGATIONS BY MEANS OF NUMERICAL SIMULATION
PublikacjaThe analyses of hydroacoustics are of high interest at the moment due to strong impact of hydroacoustic phenomena on marine environment; the noises, generated e.g. by marine traffic, may be harmful for sea life. The analyses presented here are focused on one of main sources of noises generated by ships, i.e. cavitating propeller. The goal of the work is the assessment of the cavitation phenomenon, carried out with the standard...
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High frequency dynamics of an isotropic Timoshenko periodic beam by the use of the Time-domain Spectral Finite Element Method
PublikacjaIn this work results of numerical simulations and experimental measurements related to the high frequency dynamics of an aluminium Timoshenko periodic beam are presented. It was assumed by the authors that the source of beam structural periodicity comes from periodical alterations to its geometry due to the presence of appropriately arranged drill-holes. As a consequence of these alterations dynamic characteristics of the beam...
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Performance evaluation of Unified Memory with prefetching and oversubscription for selected parallel CUDA applications on NVIDIA Pascal and Volta GPUs
PublikacjaThe paper presents assessment of Unified Memory performance with data prefetching and memory oversubscription. Several versions of code are used with: standard memory management, standard Unified Memory and optimized Unified Memory with programmer-assisted data prefetching. Evaluation of execution times is provided for four applications: Sobel and image rotation filters, stream image processing and computational fluid dynamic simulation,...
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Are stabilizing osmolytes preferentially excluded from the protein surface? FTIR and MD studies
PublikacjaInteractions between osmolytes and hen egg white lysozyme in aqueous solutions were studied by means of FTIR spectroscopy and molecular dynamics. A combination of difference spectra method and chemometric analysis of spectroscopic data was used to determine the number of osmolyte molecules interacting with the protein, and the preferential interaction coefficient in presented systems. Both osmolytes – L-proline and trimethylamine-N-oxide...
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Review of Selected Methods for Prediction of Added Resistance in Following Waves
PublikacjaThe added resistance in waves is a mean value of non-linear, second order reaction of a ship to incoming waves. In the beginning of the 20th century, the experimental methods for investigation of ship hydrodynamics at model scale were developed. They allowed the evaluation of added resistance by measurements in irregular waves (directly) or by measurements in regular waves (in-direct method). The main goal was to find more precise...
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Central-force decomposition of spline-based modified embedded atom method potential
PublikacjaCentral-force decompositions are fundamental to the calculation of stress fields in atomic systems by means of Hardy stress. We derive expressions for a central-force decomposition of the spline-based modified embedded atom method (s-MEAM) potential. The expressions are subsequently simplified to a form that can be readily used in molecular-dynamics simulations, enabling the calculation of the spatial distribution of stress in...
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Influence of addition of carbon nanotubes on rheological properties of selected liquid lubricants - a computer simulation study
PublikacjaThis work is motivated by the improvement of anti-friction properties of lubricants by addition of CNTs proved experimentally in literature. In particular, a methodology is developed to compute the shear viscosity of liquid lubricants (Propylene Glycol) based on Molecular Dynamics simulation. Non-Equilibrium molecular dynamics (NEMD) approach is used with a reactive force field ReaxFF implemented in LAMMPS. The simulations are...
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RANS-based design optimization of dual-rotor wind turbines
PublikacjaPurpose An improvement in the energy efficiency of wind turbines can be achieved using dual rotors. Because of complex flow physics, the design of dual-rotor wind turbines (DRWTs) requires repetitive evaluations of computationally expensive partial differential equation (PDE) simulation models. Approaches for solving design optimization of DRWTs constrained by PDE simulations are investigated. The purpose of this study is to determine...
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublikacjaAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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Dominant Pathways of Adenosyl Radical-Induced DNA Damage Revealed by QM/MM Metadynamics
PublikacjaBrominated nucleobases sensitize double stranded DNA to hydrated electrons, one of the dominant genotoxic species produced in hypoxic cancer cells during radiotherapy. Such radiosensitizers can therefore be administered locally to enhance treatment efficiency within the solid tumor while protecting the neighboring tissue. When a solvated electron attaches to 8-bromoadenosine, a potential sensitizer, the dissociation of bromide...
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Impact of rotor geometry optimization on the off-design ORC turbine performance
PublikacjaThe paper describes the method of CFD based Nelder-Mead optimization of a 10 kW single-stage axial turbine operating in an ORC system working on R7100. The total-to-static isentropic efficiency is defined as an objective function. Multi-point linear regression is carried out to determine the significance of the objective function arguments and to pick up the set of particular variables and characteristic quantities (e.g. flow angles)...
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Coarse-grained simulation - an efficient approach for studying motions of large proteins
PublikacjaOne of the most important challenges in performing Molecular Dynamics (MD) simulations of large protein complexes is to accommodate the model accuracy and the simulation timescale. Hitherto, for the most relevant dynamics of protein aggregates in an explicit aqueous environment, the timescale reachable for the all-atoms simulations is of hundreds of nanoseconds. This range is four to six orders of magnitude smaller than processes...
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Localization and Orientation of Xanthophylls in a Lipid Bilayer
PublikacjaXanthophylls (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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Hydration of Simple Model Peptides in Aqueous Osmolyte Solutions
PublikacjaThe 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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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublikacjaDensity 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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Morse decompositions for a population model with harvesting. Case Ha-Se: Harvesting adults only, equal survival rates of juveniles and adults
Dane BadawczeThis 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
Dane BadawczeThis 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
Dane BadawczeThis 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
Dane BadawczeThis 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
Dane BadawczeThis 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
Dane BadawczeThis 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
Dane BadawczeThis 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
Dane BadawczeThis 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
Dane BadawczeThis 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
Dane BadawczeThis 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
Dane BadawczeThis 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
Dane BadawczeThis 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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Double-diffusive natural convection energy transfer in magnetically influenced Casson fluid flow in trapezoidal enclosure with fillets
PublikacjaThe prime motive of this disquisition is to deal with mathematical analysis of natural convection energy transport driven by combined buoyancy effects of thermal and solutal diffusion in a trapezoidal enclosure. Casson fluid rheological constitutive model depicting attributes of viscoelastic liquids is envisioned. The influence of the inclined magnetic field governed by Lorentz field law is also considered. To raise the essence...
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Uniform expansion estimates in the quadratic map as a function of the parameter, with a large range of parameters
Dane BadawczeThis dataset contains selected results of numerical computations described in the paper "Quantitative hyperbolicity estimates in one-dimensional dynamics" by S. Day, H. Kokubu, S. Luzzatto, K. Mischaikow, H. Oka, P. Pilarczyk, published in Nonlinearity, Vol. 21, No. 9 (2008), 1967-1987, doi: 10.1088/0951-7715/21/9/002.