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Search results for: basis set optimisation
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Application of the 2-deoxyglucose scaffold as a new chiral probe for elucidation of the absolute configuration of secondary alcohols
PublicationHerein, we present the application of 2-deoxy-D-glucose derivatives as chiral probes for elucidation of the absolute configuration of chiral secondary alcohols. The probes are attached to the studied molecules via glycosylation reaction and the resulting products are examined by a set of standard 2D NMR experiments. The absolute configuration of an oxymethine carbon atom binding the probe is established on a basis of a set of diagnostic...
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An MOR Algorithm Based on the Immittance Zero and Pole Eigenvectors for Fast FEM Simulations of Two-Port Microwave Structures
PublicationThe aim of this article is to present a novel model-order reduction (MOR) algorithm for fast finite-element frequency-domain simulations of microwave two-port structures. The projection basis used to construct the reduced-order model (ROM) comprises two sets: singular vectors and regular vectors. The first set is composed of the eigenvectors associated with the poles of the finite-element method (FEM) state-space system, while...
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A Framework of A Ship Domain-Based Near-Miss Detection Method Using Mamdani Neuro-Fuzzy Classification
PublicationSafety analysis of navigation over a given area may cover application of various risk measures for ship collisions. One of them is percentage of the so called near- miss situations (potential collision situations). In this article a method of automatic detection of such situations based on the data from Automatic Identification System (AIS), is proposed. The method utilizes input parameters such as: collision risk measure based...
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MEASUREMENT O F HEALTHCARE SYSTEM EFFICIENCY IN OECD COUNTRIES
PublicationIncreased spending on healthcare systems in many countries tends to attract attention to their efficiency. The aim of this paper is to evaluate the efficiency of healthcare systems in the OECD countries and indicate causes of inefficiency by applying Data Envelopment Analysis (DEA) and using additive and super-efficiency models. The homogeneity of the sample is assessed and outliers are excluded. A ranking is established on the...
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Propagation in the Open Cylindrical Guide of Arbitrary Cross Section With the Use of Field Matching Method
PublicationA simple solution to propagation problem in open waveguides and dielectric fibers of arbitrary convex cross section is presented. The idea of the analysis is based on the direct field matching technique involving the usage of the field projection at the boundary on a fixed set of orthogonal basis functions. A complex root tracing algorithm is utilized to find the propagation coefficients of the investigated guides. Different convex...
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An Industrial Survey on Business Analysis Problems and Solutions
PublicationThe paper focuses on the problems reported by business analysts which have a negative impact on their work and on the applicability of available business analysis (BA) techniques as solutions to such problems. A unified set of BA techniques was developed on the basis of 3 industrial standards associated with IIBA, REQB and IREB certification schemes. A group of 8 business analysts was surveyed to list problems they encounter in...
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Reliability assessment of truss towers using Monte Carlo Method, PEM and RSM
PublicationThe paper discusses the reliability assessment of simple random truss structures using three different probabilistic methodologies: the Monte Carlo method, the Point Estimate Method and the Response Surface Method. A benchmark truss structure example is analyzed. A set of numerical calculations of critical load is performed and the results are taken as the basis of advanced probabilistic calculations. Using the samples, numerical...
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Thermophysical Properties of the Phase Change Material Mixtures – Preliminary Studies on Macromolecular Hydrocarbons Example.
PublicationThe aim of this work is a theoretical and experimental analysis of the macromolecular hydrocarbons mixtures composition and the impact on thermophysical parameters of the phase change materials (PCM) made from these mixtures. The analysis of the current state of knowledge extended by the author's own studies have been presented. Thermophysical characteristics of the hydrocarbons and their mixtures have been specified, in such a...
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Reliability assessment of truss towers using Monte Carlo Method, PEM and RSM
PublicationThe paper discusses reliability assessment of simple random truss structures using three different probabilistic methodologies: the Monte Carlo Method (MCM), the Point Estimate Method (PEM) and the Response Surface Method (RSM). A benchmark truss structure and a simplified full–size engineering tower are both analyzed. A set of ultimate load numerical calculations is performed and the results are taken as the basis of advanced...
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Scattering and Propagation Analysis for the Multilayered Structures Based on Field Matching Technique
PublicationA semi-analytical method is employed to the analysis of scattering and guiding problems in multilayer dielectric structures. The approach allows to investigate objects with arbitrary convex cross section and is based on the direct field matching technique involving the usage of the field projection at the boundary on a fixed set of orthogonal basis functions. For the scattering problems the scattered field in the far zone is calculated...
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Thermophysical properties of the phase change material mixtures – preliminary studies on macromolecular hydrocarbons example.
PublicationThe aim of this work is a theoretical and experimental analysis of the macromolecular hydrocarbon mixtures composition and the impact on thermophysical parameters of the phase change materials (PCM) made from these mixtures. The analysis of the current state of knowledge extended by the author’s own studies have been presented. Thermophysical characteristics of the hydrocarbons and their mixtures have been specified, in such a...
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DFT study of low-energy electron interaction with pyridine, pyrazine and their halo derivatives
PublicationIn this work, the density functional theory with B3LYP hybrid functional was employed to calculate quantities useful for estimating the behavior of pyridine, pyrazine and their derivatives monosubstituted with Cl or Br atom, when exposed to low-energy electron impact. Vertical electron affinities obtained in several Pople basis sets and in aug-cc-pVTZ basis set are reported. Although some of the investigated molecules do not form...
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Analytical tools for functional assessment of architectural layouts
PublicationFunctional layout of the building, understood as a layout or set of the facility rooms (or groups of rooms) with a system of internal communication, creates an environment and a place of mutual relations between the occupants of the object. Achieving optimal (from the occupants’ point of view) spatial arrangement is possible through activities that often go beyond the stage of architectural design. Adopted in the architectural...
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Local Texture Pattern Selection for Efficient Face Recognition and Tracking
PublicationThis paper describes the research aimed at finding the optimal configuration of the face recognition algorithm based on local texture descriptors (binary and ternary patterns). Since the identification module was supposed to be a part of the face tracking system developed for interactive wearable computer, proper feature selection, allowing for real-time operation, became particularly important. Our experiments showed that it is...
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Extending transition curve in analytical design method
PublicationThe paper presents the problem of extending the transitional curves, using for this purpose an analytical design method. The basis for the analysis of numerical calculations were carried out for a wide set of parameters characterizing the standard geometric system. We considered an importance of the size of radius of the circular arc and return angle of route on the obtained results after the formulation of appropriate theoretical...
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Performance analysis of power swing blocking feature in ABB 670 series impedance relays
PublicationThis paper presents test results of a distance protection’s PSD power swing detection feature in ABB 670 series relays. A RED670 relay was tested, which is part of the hydroelectric set protection in Żarnowiec Pumped Storage Plant. The power swing blocking feature’s performance was analysed on the basis of the results of object tests made with an Omicron digital tester. Also presented are simulation results that illustrate the...
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Cough influence on fascia-mesh system built for a hernia repair - an experimental research
PublicationAn experimental approach to identify stronger and weaker fixation schemes in laparoscopic ventral hernia repair is presented in the paper. Two types of implants, whose mechanical properties are significantly different and five kinds of connectors are considered. Physical models of operated hernia have been built using those materials and porcine abdominal tissue. The models have been subjected to dynamic impulse load, similar to...
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Dissociation pathways of protonated water clusters
PublicationRelative abundances of positively ionized water clusters formed in a low-pressure electrical discharge as function of reduced electric field were obtained by using drift cell and quadrupole mass spectrometer. It was noticed that some clusters say with n=4 were more abundant than others, at comparable drift conditions. Dissociation energies have been derived from equilibrium conditions for relative clusters abundances. The Hartree-Fock...
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Theoretical study of highly-excited states of KRb molecule
PublicationSemi-empirical adiabatic potential energy curves of highly excited states of the KRb molecule are calculated as a function of the internuclear distance R over a wide range from 3 to 150 a0. The diatomic molecule is treated as an effective two-electron system by using the large core pseudopotentials and core polarization potentials. All calculations are performed by using the nonrelativistic CASSCF/MRCI method with accurate basis...
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Monitoring the gas turbine start-up phase on the platform using a hierarchical model based on Multi-Layer Perceptron networks
PublicationVery often, the operation of diagnostic systems is related to the evaluation of process functionality, where the diagnostics is carried out using reference models prepared on the basis of the process description in the nominal state. The main goal of the work is to develop a hierarchical gas turbine reference model for the estimation of start-up parameters based on multi-layer perceptron neural networks. A functional decomposition...
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A Population-Based Method with Selection of a Search Operator
PublicationThis paper presents a method based on a population in which the parameters of individuals can be processed by operators from various population-based algorithms. The mechanism of selecting operators is based on the introduction of an additional binary parameters vector located in each individual, on the basis of which it is decided which operators are to be used to modify individuals’ parameters. Thus, in the proposed approach,...
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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublicationWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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Rough Sets Applied to Mood of Music Recognition
PublicationWith the growth of accessible digital music libraries over the past decade, there is a need for research into automated systems for searching, organizing and recommending music. Mood of music is considered as one of the most intuitive criteria for listeners, thus this work is focused on the emotional content of music and its automatic recognition. The research study presented in this work contains an attempt to music emotion recognition...
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Seafloor Characterisation Using Underwater Acoustic Devices
PublicationThe problem of seafloor characterisation is important in the context of management as well as investigation and protection of the marine environment. In the first part of the paper, a review of underwater acoustic technology and methodology used in seafloor characterisation is presented. It consists of the techniques based on the use of singlebeam echosounders and seismic sources, along with those developed for the use of sidescan...
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Dissociation energies of protonated water clusters
PublicationRelative abundances of positively ionized water clusters formed in a low-pressure electrical discharge as function of reduced electric field were obtained by using drift cell and quadrupole mass spectrometer. It was noticed that some clusters say with n = 4 were more abundant than others, at comparable drift conditions. Dissociation energies have been derived from equilibrium conditions for relative clusters abundances. The Hartree-Fock...
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Evolutionary music composition system with statistically modeled criteria
PublicationThe paper concerns an original evolutionary music composition system. On the basis of available solutions, we have selected a finite set of music features which appear to have a key impact on the quality of composed musical phrases. Evaluation criteria have been divided into rule-based and statistical sub-sets. Elements of the cost function are modeled using a Gaussian distribution defined by the expected value and variance obtained...
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System for automatic singing voice recognition
PublicationW artykule przedstawiono system automatycznego rozpoznawania jakości i typu głosu śpiewaczego. Przedstawiono bazę danych oraz zaimplementowane parametry. Algorytmem decyzyjnym jest algorytm sztucznych sieci neuronowych. Wytrenowany system decyzyjny osiąga skuteczność ok. 90% w obydwu kategoriach rozpoznawania. Dodatkowo wykazano przy pomocy metod statystycznych, że wyniki działania systemu automatycznej oceny jakości technicznej...
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Non-Perfect Propagation of Information to a Noisy Environment with Self-Evolution
PublicationWe study the non-perfect propagation of information for evolving a low-dimensional environment that includes self-evolution as well as noisy initial states and analyse the interrelations between the degree of objectivization and environment parameters. In particular, we consider an analytical model of three interacting qubits and derive its objectivity parameters. The numerical analysis shows that the quality of the spectrum broadcast...
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Analytical Methods for Causality Evaluation of Photonic Materials
PublicationWe comprehensively review several general methods and analytical tools used for causality evaluation of photonic materials. Our objective is to call to mind and then formulate, on a mathematically rigorous basis, a set of theorems which can answer the question whether a considered material model is causal or not. For this purpose, a set of various distributional theorems presented in literature is collected as the distributional...
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Ship weather routing optimization with dynamic constraints based on reliable synchronous roll prediction
PublicationShip routing process taking into account weather conditions is a constrained multi-objective optimization problem and it should consider various optimization criteria and constraints. Formulation of a stability-related, dynamic route optimization constraint is presented in this paper. One of the key objectives of a cross ocean sailing is finding a compromise between ship safety and economics of operation. This compromise should...
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Assessing the Significance of Displacements Using Local Coefficients of Variance as an Alternative to the Classical Approach
PublicationThe safety of use of civil engineering structures remains an important issue that is approached by various sciences. Due to this fact, geodetic control measurements are conducted with the purpose of identifying threats connected with the potential displacement of structural elements. In this context, the authors discuss issues connected with determining the displacements of controlled points located in the studied object in a three-dimensional...
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Road safety inspection as a tool for road safety management – the polish experience
PublicationIn Poland, road inspections were implemented in June 2014 on all national roads. Previously conducted traffic surveys mainly related to the technical condition of roads, signs and markings; other safety issues were overlooked. The main problem that occurs during inspection is an inspector’s subjective qualitative assessment which affects the classification of the sources of hazard on the road.. The paper presents an analysis of...
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Linear Pantographic Sheets: Existence and Uniqueness of Weak Solutions
Publicationwe address the well-posedness of the planar linearized equilibrium problem for homogenized pantographic lattices. To do so: (i) we introduce a class of subsets of anisotropic Sobolev’s space as the most suitable energy space E relative to assigned boundary conditions; (ii) we prove that the considered strain energy density is coercive and positive definite in E ; (iii) we prove that the set of placements for which the strain...
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A Survey on Identifying and Addressing Business Analysis Problems
PublicationDespite the growing body of knowledge on requirements engineering and business analysis, these areas of software project are still considered problematic. The paper focuses on problems reported by business analysts and on applicability of available business analysis techniques as solutions to such problems. A unified set of techniques was developed on the basis of 3 industrial standards associated with IIBA, REQB and IREB certification...
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A Survey Investigating the Influence of Business Analysis Techniques on Software Quality Characteristics
PublicationBusiness analysis is recognized as one of the most important areas determining the outcome (success or failure) of a software project. In this paper we explore this subject further by investigating the potential impact of techniques applied in business analysis on essential software quality characteristics. We conducted a literature search for software quality models, analyzed the existing models and selected a subset of commonly...
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Parametric method applicable in assessing breakout force and time for lifting slender bodies from seabed
PublicationThe article presents a parametric method applicable in assessing the suction force of a slender body to the seabed, and prognosing the body extrication time. Along with the body weight in water, the information on the suction force is essential for assessing the force needed to lift the object from the seabed. Based on the Foda theory and the resulting integral equation, which relates the maximum suction force with basic parameters...
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Empirically adjusted and consistent set of EHT valence orbital parametersfor all elements of the periodic table. Modelling Simul. Mater. Sci. Eng. [online]. 2004 vol. 12 [dostęp..] s. 21-32, 3 rys. 3 tab. bibliogr. 35 poz. Dostępny w Internecie stacks.iop.org/MSMSE/12/21.ISSN 0965-0393 Jednorodny skorygowany empirycznie zbiór parametrów EHT dla orbitali walen- cyjnych pierwiastków.
PublicationModel atomu HFS został zmodyfikowany poprzez przypisanie każdemu z atomówindywidualnego parametru ŕ. Wartości ŕ dobrano w oparciu o pierwszy poten-cjał jonizacji atomu. Parametry EHT wyznaczono w oparciu o tak zmodyfikowa-ny model HFS.
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Improving automatic surveillance by sound analysis
PublicationAn automatic surveillance system, based on event detection in the video image can be improved by implementing algorithms for audio analysis. Dangerous or illegal actions are often connected with distinctive sound events like screams or sudden bursts of energy. A method for detection and classification of alarming sound events is presented. Detection is based on the observation of sudden changes in sound level in distinctive sub-bands...
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Cathepsin G activity lowers plasma LDL and reduces atherosclerosis
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Contaminants in airport runoff water in the Vicinities of Two International Airports in Poland
PublicationThe general aim of the study was to evaluate environmental quality associated with the operations (combustion of fuels, cleaning of aircraft and airport aprons, aircraft, ground vehicle maintenance and repairs, fuelling operations, de/anti-icing operations) of international airports located in central and northern of Poland. These two monitoring areas were set up to monitor PAHs, PCBs, formaldehydes, phenols, detergents (cationic,...
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Real and Virtual Instruments in Machine Learning – Training and Comparison of Classification Results
PublicationThe continuous growth of the computing power of processors, as well as the fact that computational clusters can be created from combined machines, allows for increasing the complexity of algorithms that can be trained. The process, however, requires expanding the basis of the training sets. One of the main obstacles in music classification is the lack of high-quality, real-life recording database for every instrument with a variety...
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Innovative Implantable Left Ventricular Assist Device—Performance under Various Resistances and Operating Frequency Conditions
PublicationThis paper presents the operation of an innovative left ventricular assist device under various resistances and operating frequencies. The operating principle of the device is based on pulsatile blood flow, which is forced by a suction–discharge device pumping helium into a set of intra-cardiac balloons. In this way, the ejection fraction of the left ventricle is increased, and the mitral valve is additionally occluded. What is...
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Recommendations for Urban Freight Policy Development in Gdynia
PublicationThe purpose of this paper was to provide practical recommendations on how to develop Gdynia’s urban freight policy based on actual planning experience and characteristics of potential measures. Freight policy scheme was developed as a result of three interrelated factors: a) the general procedure of the urban freight planning, b) the city's current planning stage analysis and, c) characteristics of urban freight objectives and...
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Interdisciplinary Design Teams in Poland - Architecture as a Tool for Preventing Hospital-Acquired Infections
PublicationHospital-acquired infections pose a problem, which directly affects the safe usage of healthcare facilities. On a global scale, the level of hospital-acquired infections (HAI) is estimated to affect 5–15% of those hospitalised. The World Health Organization (WHO) estimates that, on an annual basis, procedures preventing hospital-acquired infections consume 80 billion dollars [1]. In this context, it becomes important to create...
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Smart Services supporting Drivers in Effective Cars Parking
PublicationThe paper shows how to design and implement intelligent, service oriented systems for management of free places in distributed car parks. The idea of SOA technology is widely used. It is assumed that a state of every car park is automatically determined by a special electronic infrastructure including IoT solutions. The information received from such an infrastructure is sent to the main management system, which processes it and,...
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Estimation of fracture toughness and shear yield stress of orthotropic materials in cutting with rotating tools
PublicationThe cutting force is an energetic effect of splitting material, and might be considered from a point of view of modern fracture mechanics. Forecasting of the shear plane angle in cutting broaden possibilities for modelling of the cutting process even for thin uncut chips. Such mathematical model has been developed here for description of the orthotropic materials’ cutting on the base of fracture theory, and includes work of separation...
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An isogeometric finite element formulation for frictionless contact of Cosserat rods with unconstrained directors
PublicationThis paper presents an isogeometric finite element formulation for nonlinear beams with impenetrability constraints, based on the kinematics of Cosserat rods with unconstrained directors. The beam cross-sectional deformation is represented by director vectors of an arbitrary order. For the frictionless lateral beam-to-beam contact, a surface-to-surface contact algorithm combined with an active set strategy and a penalty method...
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Koncepcja systemu wspomagania decyzji nawigatora statku opartego na ewolucyjnym planowaniu manewrów antykolizyjnych
PublicationArtykuł przedstawia koncepcję systemu wspomagania decyzji nawigatora statku opartego na wątkach badań prowadzonych wcześniej przez autora. System będzie rozszerzał funkcjonalność systemów dotychczasowych o możliwość szczegółowego planowania bezpiecznej trajektorii statku na wodach zamkniętych, z dużą liczbą statków obcych i ograniczeniami toru wodnego. Artykuł zawiera dyskusję możliwych podejść do planowania manewrów, optymalizacji...
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Analysis of energy efficiency of suburban railway transport network
PublicationRising numbers of agglomeration residents cause increased need for people movement on daily basis. Because of congestion of local roads, air pollution and limited parking space, providing mass transit based on electric traction is reasonable. While the electric rail vehicles are considered highly efficient in themselves, they need to be analyzed as a part of a transport network, because energy consumption depends on operating conditions...
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On the ratio between 2-domination and total outer-independent domination numbers of trees
PublicationA 2-dominating set of a graph G is a set D of vertices of G such that every vertex of V(G)D has a at least two neighbors in D. A total outer-independent dominating set of a graph G is a set D of vertices of G such that every vertex of G has a neighbor in D, and the set V(G)D is independent. The 2-domination (total outer-independent domination, respectively) number of a graph G is the minimum cardinality of a 2-dominating (total...