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Wyniki wyszukiwania dla: system theory
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Massively parallel linear-scaling Hartree–Fock exchange and hybrid exchange–correlation functionals with plane wave basis set accuracy
PublikacjaWe extend our linear-scaling approach for the calculation of Hartree–Fock exchange energy using localized in situ optimized orbitals [Dziedzic et al., J. Chem. Phys. 139, 214103 (2013)] to leverage massive parallelism. Our approach has been implemented in the ONETEP (Order-N Electronic Total Energy Package) density functional theory framework, which employs a basis of non-orthogonal generalized Wannier functions (NGWFs) to achieve...
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Exploring governance among social co-operatives: three models from Poland
PublikacjaThere has been overly interest regarding social enterprise and social entrepreneurship in theory and practice. In this paper the author introduces the workings of governance of small social enterprises i.e. social co-operatives, acting in most cases for the purpose of work and social integration of the marginalized, at the bottom of the pyramid of socio-economic system. The aim of this paper is to provide insights into under researched...
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Computational analysis of an infinite magneto-thermoelastic solid periodically dispersed with varying heat flow based on non-local Moore–Gibson–Thompson approach
PublikacjaIn this investigation, a computational analysis is conducted to study a magneto-thermoelastic problem for an isotropic perfectly conducting half-space medium. The medium is subjected to a periodic heat flow in the presence of a continuous longitude magnetic field. Based on Moore–Gibson–Thompson equation, a new generalized model has been investigated to address the considered problem. The introduced model can be formulated by combining...
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On the geometrically nonlinear vibration of a piezo-flexomagnetic nanotube
PublikacjaIn order to describe the behavior of thin elements used in MEMS and NEMS, it is essential to study a nonlinear free vibration of nanotubes under complicated external fields such as magnetic environment. In this regard, the magnetic force applied to the conductive nanotube with piezo-flexomagnetic elastic wall is considered. By the inclusion of Euler-Bernoulli beam and using Hamilton’s principle, the equations governing the system...
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Nonlocalized thermal behavior of rotating micromachined beams under dynamic and thermodynamic loads
PublikacjaRotating micromachined beams are one of the most practical devices with several applications from power generation to aerospace industries. Moreover, recent advances in micromachining technology have led to huge interests in fabricating miniature turbines, gyroscopes and microsensors thanks to their high quality/reliability performances. To this end, this article is organized to examine the axial dynamic reaction of a rotating...
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Hyperelastic Microcantilever AFM: Efficient Detection Mechanism Based on Principal Parametric Resonance
PublikacjaThe impetus of writing this paper is to propose an efficient detection mechanism to scan the surface profile of a micro-sample using cantilever-based atomic force microscopy (AFM), operating in non-contact mode. In order to implement this scheme, the principal parametric resonance characteristics of the resonator are employed, benefiting from the bifurcation-based sensing mechanism. It is assumed that the microcantilever is made...
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Efficient parallel implementation of crowd simulation using a hybrid CPU+GPU high performance computing system
PublikacjaIn the paper we present a modern efficient parallel OpenMP+CUDA implementation of crowd simulation for hybrid CPU+GPU systems and demonstrate its higher performance over CPU-only and GPU-only implementations for several problem sizes including 10 000, 50 000, 100 000, 500 000 and 1 000 000 agents. We show how performance varies for various tile sizes and what CPU–GPU load balancing settings shall be preferred for various domain...
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Mechanochemically synthesized Mn3O4@β-cyclodextrin mediates efficient electron transfer process for peroxymonosulfate activation
PublikacjaThe rational surface engineering of heterogeneous catalysts is of great significance in advanced oxidation processes (AOPs) for eliminating refractory contaminants but remains challenging. In this study, β-cyclodextrin modified Mn3O4 (Mn3O4@β-CD) was prepared through a mechanochemical approach for peroxymonosulfate (PMS) activation, which achieved efficient bisphenol A (BPA) removal via electron transfer process (ETP). The reactive...
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Density functional LCAO calculations of vibrational modes and phonon density of states in the strained single-layer phosphorene
PublikacjaThe paper presents an investigation of phosphorene under axial strain on the phonon density of states and vibrational modes. The studies were performed by means of density functional theory (DFT) within the linear combination of atomic orbitals (LCAO). The strained models were constructed using optimised supercell techniques. The vibrational mode spectra were estimated for strains applied for both the zigzag and armchair directions...
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Rozprzestrzenianie się w podtorzu skutków katastrof kolejowych z udziałem materiałów niebezpiecznych
PublikacjaDuża część przewozów materiałów niebezpiecznych prowadzona jest koleją. W związku z tym bezpieczeństwo tych przewozów nabiera coraz większego znaczenia. Każda katastrofa z udziałem materiałów niebezpiecznych ma negatywny wpływ na uczestników tego zdarzenia oraz na otaczające środowisko, bowiem jej zasięg na ogół nie jest lokalny. Z tego wynika, że w przypadku zaistnienia katastrofy należy minimalizować jej skutki oraz w dalszych...
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Job Demands, Engagement, and Turnover Intentions in Polish Nurses: The Role of Work-Family Interface
PublikacjaBackground: Poland has lower ratios of employed registered nurses per 1,000 inhabitants than the EU average. Polish nurses work under miserable conditions without assisting personnel, and they reconcile their professional demands with responsibilities for their families; 96% of them are women. Rationale/Aims: This study uses Hobfoll’s conservation of resources (CORs) theory to explain the role of various resources in the improvement...
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At the Limits of Criticality-Based Quantum Metrology: Apparent Super-Heisenberg Scaling Revisited
PublikacjaWe address the question of whether the super-Heisenberg scaling for quantum estimation is indeed realizable. We unify the results of two approaches. In the first one, the original system is compared with its copy rotated by the parameter-dependent dynamics. If the parameter is coupled to the one-body part of the Hamiltonian, the precision of its estimation is known to scale at most as N−1 (Heisenberg scaling) in terms of the number...
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Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air
PublikacjaPartition coefficients define how a solute is distributed between two immiscible phases at equilibrium. The experimental estimation of partition coefficients in a complex system can be an expensive, difficult, and time-consuming process. Here a computational strategy to predict the distributions of a set of solutes in two relevant phase equilibria is presented. The octanol/water and octanol/air partition coefficients are predicted...
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Deep Eutectic Solvents or Eutectic Mixtures? Characterization of Tetrabutylammonium Bromide and Nonanoic Acid Mixtures
PublikacjaDeep eutectic solvents have quickly attracted the attention of researchers because they better meet the requirements of green chemistry and thus have the potential to replace conventional hazardous organic solvents in some areas. To better understand the nature of these mixtures, as well as expand the possibilities of their use in different industries, a detailed examination of their physical properties, such as density, viscosity,...
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Mobile satellite measurements in designing and exploitation of rail roads
PublikacjaThe article presents a summary of several years (2009-2015) of studies on the application of mobile satellite Global Navigation Satellite Systems (GNSS) measurements in the field of designing and operation of railways. These studies have been conducted by an interdisciplinary research team from the Gdansk University of Technology and the Gdynia Maritime University. Mobile satellite GNSS measurements are taken during a ride (through...
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IFAC Conference on System Structure and Control
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Hawaii International Conference on System Sciences
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The ACM International System and Storage Conference
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International Conference on network and System Security
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Webquest- dobra praktyka w e-Learningu
PublikacjaW dobie informatyzacji i pokonywania barier wdrażania e-technologii na uczelniach wyższych uważa się, że jedną z najczęściej stosowanych aktywizujących technik nauczania wśród nauczycieli akademickich jest metoda projektu (ang. project-based learning). W niniejszym opracowaniu proponuje się zastosowanie w procesie edukacji na wyższej uczelni, metody webquest. Jest ona dużo rzadziej stosowana w praktyce. Opracowano ją w oparciu...
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Nonlocal elasticity analysis of moderately thick porous functionally graded plates in a hygro-thermal environment
PublikacjaThis work performs a novel quasi three-dimensional (3D) bending analysis for a moderately thick functionally graded material (FGM) made of nanoceramics and metal powders, in presence of porosities due to some incorrect manufacturing processes. Such porosities can appear within the plate in two forms, namely, even and uneven distributions. The modeled system assumes a polymer matrix where both shear and transverse factors coexist....
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On the non-linear dynamics of torus-shaped and cylindrical shell structures
PublikacjaIn this study, the non-linear dynamic analysis of torus-shaped and cylindrical shell-like structures has been studied. The applied material is assumed as the functionally graded material (FGM). The structures are considered to be used for important machines such as wind turbines. The effects of some environmental factors on the analysis like temperature and humidity have been considered. The strain field has been calculated in...
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Workshop on Graph Theory
WydarzeniaThe Gdańsk Workshop on Graph Theory (GWGT) is an annual, informal workshop whose goal is to provide a forum for scientists to meet, present their work, interact, and establish collaborations in the field of Graph Theory
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Model studies to identify input parameters of an algorithm controlling electric supply/consumption process by underground iron ore enterprises
PublikacjaPurpose is the development of the research format of a mathematical model to select and assess input parameters of an algorithm controlling distribution of electric energy flows in the monitoring structure of electricity supply/ consumption by using equipment of mining enterprises engaged in underground iron ore raw materials extraction. Methods. The analytical research involved a theory of random processes adapted to the real...
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Collaborative development model and strategies of multi-energy industry clusters: Multi-indicators analysis affecting the development of coastal energy clusters
PublikacjaThe paper explores Coastal Energy-Based Industrial Clusters (EBICs) and their role in advancing energy efficiency and sustainability through collaborative innovation. Economic growth theory and energy sustainability have been introduced into industrial clusters to illustrate indicators that have a greater impact on the development of EBICs. This paper proposes an EBICs development model based on the Cobb-Douglas function, in which...
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Nonlocal Vibration of Carbon/Boron-Nitride Nano-hetero-structure in Thermal and Magnetic Fields by means of Nonlinear Finite Element Method
PublikacjaHybrid nanotubes composed of carbon and boron-nitride nanotubes have manifested as innovative building blocks to exploit the exceptional features of both structures simultaneously. On the other hand, by mixing with other types of materials, the fabrication of relatively large nanotubes would be feasible in the case of macroscale applications. In the current article, a nonlinear finite element formulation is employed to deal with...
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The coexistence and competition of canonical and comammox nitrite oxidizing bacteria in a nitrifying activated sludge system – Experimental observations and simulation studies
PublikacjaThe second step of nitrification can be mediated by nitrite oxidizing bacteria (NOB), i.e. Nitrospira and Nitrobacter, with different characteristics in terms of the r/K theory. In this study, an activated sludge model was developed to account for competition between two groups of canonical NOB and comammox bacteria. Heterotrophic denitrification on soluble microbial products was also incorporated into the model. Four 5-week washout...
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Usenix Network and Distributed System Security Symposium
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International Conference on Communication System Software and Middleware
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Multiple Objective Decision Support System Conference
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List of initial and final geometries of hybrid organic-inborganic perovskites
Dane BadawczeList of initial and optimized geometries of hybrid organic-inorganic perovskites. Calculations were performed on DFT level of theory. Those results were reported in the Influence of Orientational Disorder on the Optical Absorption Properties of the Hybrid Metal‐Halide Perovskite CH3NH3PbI3 publication. Geometries, HOMO, LUMO, Band gap energies are concatenated...
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Thermodynamics and Intermolecular Interactions of Nicotinamide in Neat and Binary Solutions: Experimental Measurements and COSMO-RS Concentration Dependent Reactions Investigations
PublikacjaIn this study, the temperature-dependent solubility of nicotinamide (niacin) was measured in six neat solvents and five aqueous-organic binary mixtures (methanol, 1,4-dioxane, acetonitrile, DMSO and DMF). It was discovered that the selected set of organic solvents offer all sorts of solvent effects, including co-solvent, synergistic, and anti-solvent features, enabling flexible tuning of niacin solubility. In addition, differential...
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Experimental certification of more than one bit of quantum randomness in the two inputs and two outputs scenario
PublikacjaOne of the striking properties of quantum mechanics is the occurrence of the Bell-type non-locality. They are a fundamental feature of the theory that allows two parties that share an entangled quantum system to observe correlations stronger than possible in classical physics. In addition to their theoretical significance, non-local correlations have practical applications, such as device-independent randomness generation, providing...
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Robust asymptotic super twisting sliding mode observer for non-linear uncertain biochemical systems
PublikacjaThe problem of state estimation (reconstruction of the state vector) for a given class of biochemical systems under uncertain system dynamics has been addressed in this paper. In detail, the bioreactor at a water resource recovery facility represents the considered biochemical systems. The biochemical processes taking place in the bioreactor have been modelled using an activated sludge model. Based on this model, an appropriate...
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Non-ergodic fragmentation upon collision-induced activation of cysteine–water cluster cations
PublikacjaCysteine–water cluster cations Cys(H2O)3,6 + and Cys(H2O)3,6H+ are assembled in He droplets and probed by tandem mass spectrometry with collision-induced activation. Benchmark experimental data for this biologically important system are complemented with theory to elucidate the details of the collisioninduced activation process. Experimental energy thresholds for successive release of water are compared to water dissociation energies...
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Deciphering the Molecular Mechanism of Substrate-Induced Assembly of Gold Nanocube Arrays toward an Accelerated Electrocatalytic Effect Employing Heterogeneous Diffusion Field Confinement
PublikacjaThe complex electrocatalytic performance of gold nanocubes (AuNCs) is the focus of this work. The faceted shapes of AuNCs and the individual assembly processes at the electrode surfaces define the heterogeneous conditions for the purpose of electrocatalytic processes. Topographic and electron imaging demonstrated slightly rounded AuNC (average of 38 nm) assemblies with sizes of ≤1 μm, where the dominating patterns are (111) and...
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Electromagnetic Control and Dynamics of Generalized Burgers’ Nanoliquid Flow Containing Motile Microorganisms with Cattaneo–Christov Relations: Galerkin Finite Element Mechanism
PublikacjaIn our research work, we have developed a model describing the characteristics of the bio-convection and moving microorganisms in the flows of a magnetized generalized Burgers’ nanoliquid with Fourier’s and Fick’s laws in a stretchable sheet. Considerations have been made to Cattaneo–Christov mass and heat diffusion theory. According to the Cattaneo–Christov relation, the Buongiorno phenomenon for the motion of a nanoliquid in...
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Zero-knowledge convincing protocol on quantum bit is impossible
PublikacjaIt is one of fundamental features of quantum formalism that o n one hand it provides a new infor- mation processing resources and on the other hand puts funda mental constraints on the processing of quantum information implying “no-go” theorems for cloni ng [1–3], bit commitment [4, 5] and deleting [6] in quantum theory. Here we ask about possibilit y of “zero knowledge” scenario which, for its simplicity, can be considered as...
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Surrogate-assisted EM-driven miniaturization of wideband microwave couplers by means of co-simulation low-fidelity models
PublikacjaThis article proposes a methodology for rapid design optimization of miniaturized wideband couplers. More specifically, a class of circuits is considered, in which conventional transmission lines are replaced by their abbreviated counterparts referred to as slow-wave compact cells. Our focus is on explicit reduction of the structure size as well as on reducing the CPU cost of the design process. For the sake of computational feasibility,...
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Electrochemistry from first-principles in the grand canonical ensemble
PublikacjaProgress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can benefit from the atomistic understanding of the materials involved by first-principles quantum mechanical simulations with Density Functional Theory (DFT). However, such simulations are...
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Dobór głównych parametrów instalacji grzewczych spalinowych siłowni okrętowych z wykorzystaniem metod i modeli probabilistycznych
PublikacjaPraca doktorska przedstawia nowatorską metodę projektowania okrętowych instalacji grzewczych. Metoda ta powstała dzięki analizie statystycznej danych zebranych z kilkunastu statków dotyczących między innymi wytwarzania pary w kotłach utylizacyjnych i zapotrzebowania na ciepło przez odbiorniki pary. Zaproponowany w pracy proces projektowy wykorzystuje równania korelacji wynikające z analizy statystycznej. Wytwarzanie ciepła oraz...
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A city is not a tree: a multi-city study on street network and urban life
PublikacjaChristopher Alexander, a British-American scholar, differentiated an old (natural) city from a new (planned) one by structure. The former resembles a “semilattice”, or a complex system encompassing many interconnected sub-systems. The latter is shaped in a graph-theoretical “tree”, which lacks the structural complexity as its sub-systems are compartmentalized into a single hierarchy. This structural distinction explains why, or...
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Types of Markov Fields and Tilings
PublikacjaThe method of types is one of the most popular techniques in information theory and combinatorics. However, thus far the method has been mostly applied to one-dimensional Markov processes, and it has not been thoroughly studied for general Markov fields. Markov fields over a finite alphabet of size m ≥ 2 can be viewed as models for multi-dimensional systems with local interactions. The locality of these interactions is represented...
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International Conference on Hardware/Software Codesign and System Synthesis
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Elastic scattering of electrons by water: An ab initio study
PublikacjaIn this work we devise a theoretical and computational method to compute the elastic scattering of electrons from a non-spherical potential, such as in the case of molecules and molecular aggregates. Its main feature is represented by the ability of calculating accurate wave functions for continuum states of polycentric systems via the solution of the Lippmann-Schwinger equation, including both the correlation effects and multi-scattering...
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Proximity and the Cluster Organization
PublikacjaIncluding the category of proximity in theoretical considerations and empirical analyzes in cluster organizations is an attempt to integrate existing approaches to understand and explain the specificity of inter-organizational cooperation developed in geographical proximity. The importance of geographical proximity to create a competitive advantage is emphasized in all theories on the establishment and development of industrial...
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Modeling the Customer’s Contextual Expectations Based on Latent Semantic Analysis Algorithms
PublikacjaNowadays, in the age of Internet, access to open data detects the huge possibilities for information retrieval. More and more often we hear about the concept of open data which is unrestricted access, in addition to reuse and analysis by external institutions, organizations and people. It’s such information that can be freely processed, add another data (so-called remix) and then published. More and more data are available in text...
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Implementation of Non-Probabilistic Methods for Stability Analysis of Nonlocal Beam with Structural Uncertainties
PublikacjaIn this study, a non-probabilistic approach based Navier’s Method (NM) and Galerkin Weighted Residual Method (GWRM) in term of double parametric form has been proposed to investigate the buckling behavior of Euler-Bernoulli nonlocal beam under the framework of the Eringen's nonlocal elasticity theory, considering the structural parameters as imprecise or uncertain. The uncertainties in Young’s modulus and diameter of the beam are...
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Minimal number of periodic points for smooth self-maps of simply-connected manifolds
Dane BadawczeThe problem of finding the minimal number of periodic points in a given class of self-maps of a space is one of the central questions in periodic point theory. We consider a closed smooth connected and simply-connected manifold of dimension at least 4 and its self-map f. The topological invariant D_r[f] is equal to the minimal number of r-periodic points...
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Potential energy curves and spectroscopic parameters of the diatomic silver anion and neutral silver dimer
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...