Wyniki wyszukiwania dla: COMPUTATIONAL ANALYSIS
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Novel molecules containing structural features of NSAIDs and 1,2,3-triazole ring: Design, synthesis and evaluation as potential cytotoxic agents
PublikacjaFor the first time the template containing structural features of more than one NSAIDs and the 1,2,3-triazole ring was explored for the identification of potential cytotoxic agents. These new and complex molecules were predicted to be effective inhibitors of PDE4B by molecular modelling studies in silico. The multi-step synthesis of these compounds were carried out starting from the well-known drug nimesulide and involved the use...
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LS-DYNA simulations of the impacts of a 38-ton Heavy Goods Vehicle into a road cable barrier
PublikacjaNowadays, more and more attention is being paid to safety on roads and motorways. It is due to the continuous development of road and motorway network and a significant increase of the number of vehicles on roads. To meet the expectations of improving road safety in Poland, the Road Innovations Development (RID) research programme was implemented in 2016. The aim of the RID 3A - Road Safety Equipment (RoSE) project is a comprehensive...
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Morse decompositions for a non-linear Leslie population model with 2 varying parameters
Dane BadawczeThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "A database schema for the analysis of global dynamics of multiparameter systems" by Z. Arai, W. Kalies, H. Kokubu, K. Mischaikow, H. Oka, P. Pilarczyk, published in SIAM Journal on Applied Dynamical Systems (SIADS),...
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Morse decompositions for a non-linear Leslie population model with 3 varying parameters
Dane BadawczeThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "A database schema for the analysis of global dynamics of multiparameter systems" by Z. Arai, W. Kalies, H. Kokubu, K. Mischaikow, H. Oka, P. Pilarczyk, published in SIAM Journal on Applied Dynamical Systems (SIADS),...
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Badania nośności na zginanie innowacyjnego kształtownika giętego na zimno typu GEB
PublikacjaLekkie konstrukcje metalowe wytwarzane z kształtowników giętych na zimno to jedna z najszybciej rozwijających się dyscyplin w zakresie budownictwa. Do niedawna profile gięte na zimno stosowano wyłącznie jako elementy drugorzędne, czyli płatwie oraz rygle. Nowo opatentowany przekrój typu GEB ma być wykorzystywany jako element nośny konstrukcji ramowych. Jednak jego zaistnienie na rynku budowlanych konstrukcji metalowych jest uwarunkowane...
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Effect of Polymerization Statistics on the Electronic Properties of Copolymers for Organic Photovoltaics
PublikacjaStatistical block copolymers, composed of donor (D) and acceptor (A) blocks, are a novel type of material for organic photovoltaics (OPVs) devices. In particular a new series of polymers based on PBTZT-stat-BDTT-8, recently developed by Merck, offers high solubility in different solvents, and a high power conversion efficiency (PCE) in different device architectures. Although it is known that the electronic properties of these...
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On Inadequacy of Sequential Design of Experiments for Performance-Driven Surrogate Modeling of Antenna Input Characteristics
PublikacjaDesign of contemporary antennas necessarily involves electromagnetic (EM) simulation tools. Their employment is imperative to ensure evaluation reliability but also to carry out the design process itself, especially, the adjustment of antenna dimensions. For the latter, traditionally used parameter sweeping is more and more often replaced by rigorous numerical optimization, which entails considerable computational expenses, sometimes...
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Tool Wear Monitoring Using Improved Dragonfly Optimization Algorithm and Deep Belief Network
PublikacjaIn recent decades, tool wear monitoring has played a crucial role in the improvement of industrial production quality and efficiency. In the machining process, it is important to predict both tool cost and life, and to reduce the equipment downtime. The conventional methods need enormous quantities of human resources and expert skills to achieve precise tool wear information. To automatically identify the tool wear types, deep...
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Three-dimensional numerical investigation of hybrid nanofluids in chain microchannel under electrohydrodynamic actuator
PublikacjaEnergy efficiency enhancement methods have received considerable attentionwithin the industry and scientific community, owing to the rising concern ofglobal energy sustainability. The present article attempts to scrutinize the effectsof electrohydrodynamics and nanofluids on the rate of heat transfer and fluidflow in the 3-D chain microchannels. Improved heat exchangers (e.g., chainmicrochannel) would have a key role in increasing...
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Facet effect of TiO2 nanostructures from TiOF2 and their photocatalytic activity
PublikacjaIn this study, special attention is focused on the design of TiO2 morphology and microstructure in the two-step preparation procedure using TiOF2 as a precursor to study their photodegradation mineralization efficiency. Firstly, TiOF2 was synthesized by a simple solvothermal method using titanium(IV) tetrafluoride, which was further used as a precursor in preparation of anatase 2D nanosheets, octahedral, decahedral, and rectangular prisms...
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A Generalized Framework Towards Structural Mechanics of Three-layered Composite Structures
PublikacjaThree-layered composite structures find a broad application. Increasingly, composites are being used whose layer thicknesses and material properties diverge strongly. In the perspective of structural mechanics, classical approaches to analysis fail at such extraordinary composites. Therefore, emphasis of the present approach is on arbitrary transverse shear rigidities and structural thicknesses of the individual layers. Therewith...
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Robust procedure for flow coefficient calculation. W: Recent advances in simulation, computational methods and soft computing. Ed. W. Nikos, E. Ma-torakis. New York: WSEAS Press**2002 s. 152-155, 5 rys. bibliogr. 7 poz. Krzepka procedura obliczania współczynnika przepływu.
PublikacjaW pracy przedstawiono efektywne i szybkie metody obliczania współczynnikaprzepływu powietrza na podstawie znanych: stosunku ciśnień statycznych i oporności dźwiekowej (patrz norma ISO6358).
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Techniki zwiększania efektywności metody elementów skończonych poprzez redukcję dziedziny obliczeniowej z wykorzystaniem własności geometrii struktur
PublikacjaWspółczesna elektronika ze względu na swój szybki rozwój wymaga od nas efektywnego modelowania zjawisk polowych. Celem rozprawy jest zwiększanie efektywności metody elementów skończonych poprzez redukcję dziedziny obliczeniowej z wykorzystaniem własności geometrii struktur oraz jej hybrydyzację z użyciem technik analitycznych. Rozprawa zawiera przegląd stanu wiedzy na temat dostępnych obecnie technik modelowania jak również opis...
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Conley-Morse graphs for a non-linear Leslie population model with 2 varying parameters
Dane BadawczeThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "A database schema for the analysis of global dynamics of multiparameter systems" by Z. Arai, W. Kalies, H. Kokubu, K. Mischaikow, H. Oka, P. Pilarczyk, published in SIAM Journal on Applied Dynamical Systems (SIADS),...
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Conley-Morse graphs for a non-linear Leslie population model with 3 varying parameters
Dane BadawczeThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "A database schema for the analysis of global dynamics of multiparameter systems" by Z. Arai, W. Kalies, H. Kokubu, K. Mischaikow, H. Oka, P. Pilarczyk, published in SIAM Journal on Applied Dynamical Systems (SIADS),...
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Continuation classes for a two-patch vaccination model
Dane BadawczeThis dataset contains selected results of rigorous numerical computations described in Section 5 of the paper "Rich bifurcation structure in a two-patch vaccination model" by D.H. Knipl, P. Pilarczyk, G. Röst, published in SIAM Journal on Applied Dynamical Systems (SIADS), Vol. 14, No. 2 (2015), pp. 980–1017, doi: 10.1137/140993934.
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Source code - AI models (MLM1-5 - series I-III - QNM opt)
Dane BadawczeSource code - AI models (MLM1-5 - series I-III - QNM opt) for the paper "Computational Complexity and Its Influence on Concrete Compressive Strength Prediction Capabilities of Machine Learning Models for Concrete Mix Design Support" accepted for publication.
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Investigation of low-temperature cracking in newly constructed high-modulus asphalt concrete base course of a motorway pavement
PublikacjaThe paper presents the issue of low-temperature transverse cracks which have developed in newly constructed base courses made of high-modulus asphalt concrete mix (HMAC). Numerous transverse cracks developed in the analysed HMAC base during the winter season before the pavement was actually completed, both at the transverse joint locations and in the areas between them. This had not happened so far on such a scale during road construction...
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Concrete mix design using machine learning
PublikacjaDesigning a concrete mix is a process of synthesizing many components, it is not a simple process and requires extensive technical knowledge. The design process itself focuses on obtaining the required strength of concrete. Very often designing a concrete mix takes into account the need to maintain the proper water-demand and frost-resistance features. The parameters that influence the concrete class most significantly are the...
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Proceedings of the fib Symposium 2019: Concrete - Innovations in Materials, Design and Structures 2019
PublikacjaDesigning a concrete mix is a process of synthesizing many components, it is not a simple process and requires extensive technical knowledge. The design process itself focuses on obtaining the required strength of concrete. Very often designing a concrete mix takes into account the need to maintain the proper water-demand and frost-resistance features. The parameters that influence the concrete class most significantly are the...
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Multi-objective optimization of expensive electromagnetic simulation models
PublikacjaVast majority of practical engineering design problems require simultaneous handling of several criteria. For the sake of simplicity and through a priori preference articulation one can turn many design tasks into single-objective problems that can be handled using conventional numerical optimization routines. However, in some situations, acquiring comprehensive knowledge about the system at hand, in particular, about possible...
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The ONETEP linear-scaling density functional theory program
PublikacjaWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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Daylight Appraisal Classes For Achitecture Students A Survey Combined With A Practical Assessment For Educational Training Recommendations
PublikacjaThe main objectives of this article are: (i) to present the relations between architecture students' subjective assessment of daylight in classrooms and the objective evaluation of daylit conditions using daylight simulations tools, (ii) to formulate guidelines and recommendations on daylight appraisal methods and tools which may be useful in architectural training. The methodology used includes an evaluation of the results of...
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Low-cost performance-driven modelling of compact microwave components with two-layer surrogates and gradient kriging
PublikacjaUtilization of electromagnetic (EM) simulation tools has become indispensable for reliable evaluation of microwave components. As the cost of an individual analysis may already be considerable, the computational overhead associated with EM-driven tasks that require massive simulations (e.g., optimization) may turn prohibitive. One of mitigation methods is the employment of equivalent network models. Yet, they are incapable of accounting...
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Rapid and Reliable Re-Design of Miniaturized Microwave Passives by Means of Concurrent Parameter Scaling and Intermittent Local Tuning
PublikacjaRe-design of microwave passive components for the assumed operating frequencies or substrate parameters is an important yet a tedious process. It requires simultaneous tuning of relevant circuit variables, often over broad ranges thereof, to ensure satisfactory performance of the system. If the operating conditions at the available design are distant from the intended ones, local optimization is typically insufficient, whereas...
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Globalized Simulation-Driven Miniaturization of Microwave Circuits by Means of Dimensionality-Reduced Constrained Surrogates
PublikacjaSmall size has become a crucial prerequisite in the design of modern microwave components. Miniaturized devices are essential for a number of application areas, including wireless communications, 5G/6G technology, wearable devices, or the internet of things. Notwithstanding, size reduction generally degrades the electrical performance of microwave systems. Therefore, trade-off solutions have to be sought that represent acceptable...
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Adaptive Dynamical Systems Modelling of Transformational Organizational Change: with Focus on Organizational Culture and Organizational Learning
PublikacjaTransformative Organizational Change becomes more and more significant both practically and academically, especially in the context of organizational culture and learning. However computational modeling and a formalization of organizational change and learning processes are still largely unexplored. This paper aims to provide an adaptive network model of transformative organizational change and translate a selection of organizational...
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Adaptive Dynamical Systems Modelling of Transformational Organizational Change with Focus on Organizational Culture and Organizational Learning
PublikacjaTransformative Organizational Change becomes more and more significant both practically and academically, especially in the context of organizational culture and learning. However computational modeling and a formalization of organizational change and learning processes are still largely unexplored. This paper aims to provide an adaptive network model of transformative organizational change and translate a selection of organizational...
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INVESTIGATIONS OF THE EMISSION CHARACTERISTICS OF A DUAL-FUEL GAS TURBINE COMBUSTION CHAMBER OPERATING SIMULTANEOUSLY ON LIQUID AND GASEOUS FUELS
PublikacjaT his study is dedicated to investigations of the working process in a dual-fuel low-emission combustion chamber for a floating vessel’s gas turbine. As the object of the research, a low-emission gas turbine combustion chamber with partial premixing of fuel and air inside the outer and inner radial-axial swirls was chosen. The method of the research is based on the numerical solution of the system of differential...
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Assessment of Connectivity-based Resilience to Attacks Against Multiple Nodes in SDNs
PublikacjaIn Software Defined Networks (SDNs), the control plane of a network is decoupled from its data plane. For scalability and robustness, the logically centralized control plane is implemented by physically placing different controllers throughout the network. The determination of the number and placement of controllers is known as the Controller Placement Problem (CPP). In the regular (i.e., failure-free) state, the control plane...
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Accurate Modeling of Frequency Selective Surfaces Using Fully-Connected Regression Model with Automated Architecture Determination and Parameter Selection Based on Bayesian Optimization
PublikacjaSurrogate modeling has become an important tool in the design of high-frequency structures. Although full-wave electromagnetic (EM) simulation tools provide an accurate account for the circuit characteristics and performance, they entail considerable computational expenditures. Replacing EM analysis by fast surrogates provides a way to accelerate the design procedures. Unfortunately, modeling of microwave passives is a challenging...
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Type III Responses to Transient Inputs in Hybrid Nonlinear Neuron Models
PublikacjaExperimental characterization of neuronal dynamics involves recording both of spontaneous activity patterns and of responses to transient and sustained inputs. While much theoretical attention has been devoted to the spontaneous activity of neurons, less is known about the dynamic mechanisms shaping their responses to transient inputs, although these bear significant physiological relevance. Here, we study responses to transient...
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Morse decompositions for a two-patch vaccination model
Dane BadawczeThis dataset contains selected results of rigorous numerical computations described in Section 5 of the paper "Rich bifurcation structure in a two-patch vaccination model" by D.H. Knipl, P. Pilarczyk, G. Röst, published in SIAM Journal on Applied Dynamical Systems (SIADS), Vol. 14, No. 2 (2015), pp. 980–1017, doi: 10.1137/140993934.
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Long-term hindcast simulation of currents in the Baltic Sea
Dane BadawczeThe dataset contains the results of numerical modelling of currents over a period of 50 years (1958-2007) in the Baltic Sea . A long-term hindcast simulation was performed using a three-dimensional hydrodynamic model PM3D (Kowalewski and Kowalewska-Kalkowska, 2017), a new version of the M3D model (Kowalewski, 1997). The hydrodynamic model was coupled...
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Spatial aspects of urban air quality management: Estimating the impact of micro-scale urban form on pollution dispersion
PublikacjaUrban planning and design solutions affect urban ventilation conditions, thus mitigating the effects of atmospheric pollution. However, these findings are not being implemented in the planning practice to a sufficient extent, partly due to the lack of specific guidelines. Moreover, many urban air quality monitoring (AQM) sites have low represnentativeness and thus do not provide comprehensive data for effective urban air pollution control...
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Modelowanie procesu wrzenia i kondensacji w rozszerzonym zakresie ciśnień zredukowanych
PublikacjaNiniejsza rozprawa doktorska ma na celu pokazanie wpływu uwzględnienia ciśnienia zredukowanego w analizowanym modelu opisują-cym współczynnik przejmowania ciepła na zbieżność z danymi eksperymentalnymi.Przedmiotem analizy jest półempiryczny model Mikielewicza w zastosowaniu do danych eksperymentalnych w kanałach konwencjonalnych i o małej średnicy płynów uznanych za perspektywiczne.W ramach realizowanych prac badawczych pozyskano...
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TIME-DOMAIN NUMERICAL EVALUATION OF SHIP RESISTANCE AND MOTION IN REGULAR WAVES BY USING THE CFD URANS METHOD
PublikacjaTaking into account the International Maritime Organization's (IMO) strategy to radically reduce the...
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Conley-Morse graphs for a two-patch vaccination model
Dane BadawczeThis dataset contains selected results of rigorous numerical computations described in Section 5 of the paper "Rich bifurcation structure in a two-patch vaccination model" by D.H. Knipl, P. Pilarczyk, G. Röst, published in SIAM Journal on Applied Dynamical Systems (SIADS), Vol. 14, No. 2 (2015), pp. 980–1017, doi: 10.1137/140993934.
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Accurate Modeling of Antenna Structures by Means of Domain Confinement and Pyramidal Deep Neural Networks
PublikacjaThe importance of surrogate modeling techniques has been gradually increasing in the design of antenna structures over the recent years. Perhaps the most important reason is a high cost of full-wave electromagnetic (EM) analysis of antenna systems. Although imperative in ensuring evaluation reliability, it entails considerable computational expenses. These are especially pronounced when carrying out EM-driven design tasks such...
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A concept of zero-dimensional and three-dimensional thermodynamic modelling of steam storage in a steam cycle
PublikacjaThis work presents the thermodynamic model of steam storage in a steam cycle. The innovative steam storage is an integral part of the unit and thus responds quickly to changes in load. This enhances the primary control reserve while maintaining high efficiency of energy conversion. With regard to power plants, it improves the operational safety of generation units, as it prevents boiler and turbines overload in the case of steep...
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In-depth characterization of icosahedral ordering in liquid copper
PublikacjaThe presence of icosahedral ordering in liquid copper at temperatures close to the melting point is now well-established both experimentally and through computer simulation. However, a more elaborate analysis of local icosahedral and icosahedron-like structures, together with a system for classifying such structures based on some measure of "icosahedrity", has so far been conspicuously absent in the literature. Similarly, the dynamics...
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Safety PL - a support tool for Road Safety Impact Assessment
PublikacjaPublished on 19 November 2008, the European Union's Directive 2008/96/EC is one of the most important EU documents setting out a road safety orientation, in particular, road infrastructure safety management. It identifies four main areas of activity: road safety impact assessment, road safety audit, ranking of high accident concentration sections and network safety ranking and road infrastructure safety inspection. The Directive...
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Energy consumption optimization in wastewater treatment plants: Machine learning for monitoring incineration of sewage sludge
PublikacjaBiomass management in terms of energy consumption optimization has become a recent challenge for developed countries. Nevertheless, the multiplicity of materials and operating parameters controlling energy consumption in wastewater treatment plants necessitates the need for sophisticated well-organized disciplines in order to minimize energy consumption and dissipation. Sewage sludge (SS) disposal management is the key stage of...
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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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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.