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MERPSYS: An environment for simulation of parallel application execution on large scale HPC systems
PublikacjaIn this paper we present a new environment called MERPSYS that allows simulation of parallel application execution time on cluster-based systems. The environment offers a modeling application using the Java language extended with methods representing message passing type communication routines. It also offers a graphical interface for building a system model that incorporates various hardware components such as CPUs, GPUs, interconnects...
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T-colorings, divisibility and circular chromatic number
PublikacjaLet T be a T-set, i.e., a finite set of nonnegative integers satisfying 0 ∈ T, and G be a graph. In the paper we study relations between the T-edge spans espT (G) and espd⊙T (G), where d is a positive integer and d ⊙ T = {0 ≤ t ≤ d (max T + 1): d |t ⇒ t/d ∈ T} . We show that espd⊙T (G) = d espT (G) − r, where r, 0 ≤ r ≤ d − 1, is an integer that depends on T and G. Next we focus on the case T = {0} and show that espd⊙{0} (G) =...
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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublikacjaThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
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Domination subdivision and domination multisubdivision numbers of graphs
PublikacjaThe domination subdivision number sd(G) of a graph G is the minimum number of edges that must be subdivided (where an edge can be subdivided at most once) in order to increase the domination number of G. It has been shown [10] that sd(T)<=3 for any tree T. We prove that the decision problem of the domination subdivision number is NP-complete even for bipartite graphs. For this reason we define the domination multisubdivision number...
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Graphs with equal domination and 2-distance domination numbers
PublikacjaW publikacji scharakteryzowane są wszystkie te drzewa i grafy jednocykliczne, w których liczba dominowania oraz liczba 2-dominowania na odległość są sobie równe.
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Non-quadratic quality criteria in parameter estimation of continuous-time models
PublikacjaW pracy wykorzystuje się procedury estymacji parametrycznej do identyfikacji modeli z czasem ciągłym. Rozważane algorytmy minimalizują wskaźnik jakości w postaci sumy lub całki wartości bezwzględnej błędu predykcji. Zastosowanie techniki zmiennych instrumentalnych umożliwia ponadto znaczące polepszenie dokładności ocen parametrów, a wprowadzony do w procedur estymacji mechanizm ważenia błędów predykcji pozwala identyfikować modele...
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On quasi-compact Markov nets
PublikacjaAnalizuje się strukturę ergodyczną netów Markowa. W szczególności podano charakteryzację ściśle ergodycznych minimalnych (L-R) netów markowskich na zwartej przestrzeni fazowej. Uzyskano warunki równoważne quasi-zwartości (L-R) netów Markowa, rozszerzając tzw. ergodyczne twierdzenie Lotz'a.
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The Maslov index and the spectral flow—revisited
PublikacjaWe give an elementary proof of a celebrated theorem of Cappell, Lee and Miller which relates the Maslov index of a pair of paths of Lagrangian subspaces to the spectral flow of an associated path of self-adjoint first-order operators. We particularly pay attention to the continuity of the latter path of operators, where we consider the gap-metric on the set of all closed operators on a Hilbert space. Finally, we obtain from Cappell,...
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A note on polynomial algorithm for cost coloring of bipartite graphs with Δ ≤ 4
PublikacjaIn the note we consider vertex coloring of a graph in which each color has an associated cost which is incurred each time the color is assigned to a vertex. The cost of coloring is the sum of costs incurred at each vertex. We show that the minimum cost coloring problem for n-vertex bipartite graph of degree ∆≤4 can be solved in O(n^2) time. This extends Jansen’s result [K.Jansen,The optimum cost chromatic partition problem, in:...
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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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Bernstein-type theorem for ϕ-Laplacian
PublikacjaIn this paper we obtain a solution to the second-order boundary value problem of the form \frac{d}{dt}\varPhi'(\dot{u})=f(t,u,\dot{u}), t\in [0,1], u\colon \mathbb {R}\to \mathbb {R} with Sturm–Liouville boundary conditions, where \varPhi\colon \mathbb {R}\to \mathbb {R} is a strictly convex, differentiable function and f\colon[0,1]\times \mathbb {R}\times \mathbb {R}\to \mathbb {R} is continuous and satisfies a suitable growth...
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Periodic Points for Sphere Maps Preserving MonopoleFoliations
PublikacjaLet S^2 be a two-dimensional sphere. We consider two types of its foliations with one singularity and maps f:S^2→S^2 preserving these foliations, more and less regular. We prove that in both cases f has at least |deg(f)| fixed points, where deg(f) is a topological degree of f. In particular, the lower growth rate of the number of fixed points of the iterations of f is at least log|deg(f)|. This confirms the Shub’s conjecture in...
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Convex universal fixers
PublikacjaPraca dotyczy dominowania wypukłego w grafach pryzmowych.
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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublikacjaThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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Some variations of perfect graphs
PublikacjaWe consider (ψk−γk−1)-perfect graphs, i.e., graphs G for which ψk(H) =γk−1(H) for any induced subgraph H of G, where ψk and γk−1 are the k -path vertex cover number and the distance (k−1)-domination number, respectively. We study (ψk−γk−1)-perfect paths, cycles and complete graphs for k≥2. Moreover, we provide a complete characterisation of (ψ2−γ1)-perfect graphs describing the set of its forbidden induced subgraphs and providing...
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On-line P-coloring of graphs
PublikacjaFor a given induced hereditary property P, a P-coloring of a graph G is an assignment of one color to each vertex such that the subgraphs induced by each of the color classes have property P. We consider the effectiveness of on-line P-coloring algorithms and give the generalizations and extensions of selected results known for on-line proper coloring algorithms. We prove a linear lower bound for the performance guarantee function...
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Optimal backbone coloring of split graphs with matching backbones
PublikacjaFor a graph G with a given subgraph H, the backbone coloring is defined as the mapping c: V(G) -> N+ such that |c(u)-c(v)| >= 2 for each edge uv \in E(H) and |c(u)-c(v)| >= 1 for each edge uv \in E(G). The backbone chromatic number BBC(G;H) is the smallest integer k such that there exists a backbone coloring with max c(V(G)) = k. In this paper, we present the algorithm for the backbone coloring of split graphs with matching backbone.
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Total outer-connected domination in trees
PublikacjaW pracy przedstawiono dolne ograniczenie na liczbę dominowania totalnego zewnętrznie spójnego w grafach oraz scharakteryzowano wszystkie drzewa osiągające to ograniczenie.
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Nordhaus-Gaddum results for the weakly convex domination number of a graph
PublikacjaArtykuł dotyczy ograniczenia z góry i z dołu (ze względu na ilość wierzchołków) sumy i iloczynu liczb dominowania wypukłego grafu i jego dopełnienia.
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On incidence coloring of coloring of complete multipartite and semicubic bipartite graphs
PublikacjaIn the paper, we show that the incidence chromatic number of a complete k-partite graph is at most ∆+2 (i.e., proving the incidence coloring conjecture for these graphs) and it is equal to ∆+1 if and only if the smallest part has only one vertex.
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Amplifying the Randomness of Weak Sources Correlated With Devices
PublikacjaThe problem of device-independent randomness amplification against no-signaling adversaries has so far been studied under the assumption that the weak source of randomness is uncorrelated with the (quantum) devices used in the amplification procedure. In this paper, we relax this assumption, and reconsider the original protocol of Colbeck and Renner using a Santha-Vazirani (SV) source. To do so, we introduce an SV-like condition...
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Interval incidence coloring of subcubic graphs
PublikacjaIn this paper we study the problem of interval incidence coloring of subcubic graphs. In [14] the authors proved that the interval incidence 4-coloring problem is polynomially solvable and the interval incidence 5-coloring problem is N P-complete, and they asked if χii(G) ≤ 2∆(G) holds for an arbitrary graph G. In this paper, we prove that an interval incidence 6-coloring always exists for any subcubic graph G with ∆(G) = 3.
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Keep It Flexible: Driving Macromolecular Rotary Motions in Atomistic Simulations with GROMACS
PublikacjaWe describe a versatile method to enforce the rotation of subsets of atoms, e.g., a protein subunit, in molecular dynamics (MD) simulations. In particular, we introduce a “flexible axis” technique that allows realistic flexible adaptions of both the rotary subunit as well as the local rotation axis during the simulation. A variety of useful rotation potentials were implemented for the GROMACS 4.5 MD package. Application to the...
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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublikacjaThe importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized...
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Equitable coloring of corona multiproducts of graphs
PublikacjaWe give some results regarding the equitable chromatic number for l-corona product of two graphs: G and H, where G is an equitably 3- or 4-colorable graph and H is an r-partite graph, a cycle or a complete graph. Our proofs lead to polynomial algorithms for equitable coloring of such graph products provided that there is given an equitable coloring of G.
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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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TOTAL DOMINATION MULTISUBDIVISION NUMBER OF A GRAPH
PublikacjaThe domination multisubdivision number of a nonempty graph G was defined in [3] as the minimum positive integer k such that there exists an edge which must be subdivided k times to increase the domination number of G. Similarly we define the total domination multisubdivision number msd_t (G) of a graph G and we show that for any connected graph G of order at least two, msd_t (G) ≤ 3. We show that for trees the total domination...
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Invariant Measures for Uncountable Random Interval Homeomorphisms
PublikacjaA necessary and sufficient condition for the iterated function system { f (·, ω) | ω ∈ } with probability P to have exactly one invariant measure μ∗ with μ∗((0, 1)) = 1 is given. The main novelty lies in the fact that we only require the transformations f (·, ω) to be increasing homeomorphims, without any smoothness condition, nei- ther we impose conditions on the cardinality of . In particular, positive Lyapunov exponents conditions...
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Predyspozycje zawodowe artysty a cechy przedsiębiorcze
PublikacjaArtykuł stanowi analizę porównawczą cech osobowości przypisywanych artystom z charakterystyką skutecznego przedsiębiorcy. Podstawą zestawienia jest profil osobowości twórczej, typy osobowości zawodowych oraz profil osobowości przedsiębiorcy. Celem artykułu jest wskazanie zakresu kompetencji, które mogą być niedostępne dla twórców, a które warunkują realizację przedsięwzięć biznesowych. Potwierdzeniem konieczności integracji sylwetki...
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Waves Along Fractal Coastlines: From Fractal Arithmetic to Wave Equations
PublikacjaBeginning with addition and multiplication intrinsic to a Koch-type curve, we formulate and solve wave equation describing wave propagation along a fractal coastline. As opposed to examples known from the literature, we do not replace the fractal by the continuum in which it is embedded. This seems to be the first example of a truly intrinsic description of wave propagation along a fractal curve. The theory is relativistically...
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On the Bending of Multilayered Plates Considering Surface Viscoelasticity
PublikacjaWe discuss the bending resistance of multilayered plates taking into account surface/interfacial viscoelasticity. Within the linear surface viscoelasticity we introduce the surface/interfacial stresses linearly dependent on the history of surface strains. In order to underline the surface viscoelasticity contribution to the bending response we restrict ourselves to the elastic behaviour in the bulk. Using the correspondence principle...
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Reply to Maarit Johnson's Letter to the Editor
PublikacjaWe wrote in response to the Letter to the Editor from Maarit Johnson regarding our article “Exploring the factor structure and the validity of the abbreviated Basic and Earning self-esteem Scales” (Dåderman & Basinska, 2013). We discussed two main issues: (a) the theory underlying the development of the longer (i.e., original) versions of the Basic and Earning SES, as well as the role of earning SE; and (b) the selection of items...
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A study on transverse shear correction for laminated sandwich panels
PublikacjaThe paper presents a study on an application of the First Order Shear Deformation Theory in a linear static analysis of elastic sandwich panels. A special attention has been given to the issue of the transverse shear correction. Two benchmark examples of sandwich plate problems with known reference solutions have been selected for a comparative analysis performed with own Finite Element codes. Interesting results allowed for drawing...
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Behavior of residual current devices at frequencies up to 50 kHz
PublikacjaThe use of residual current devices (RCDs) is obligatory in many types of low-voltage circuits. They are devices that ensure protection against electric shock in the case of indirect contact and may ensure additional protection in the case of direct contact. For the latter purpose of protection, only RCDs of a rated residual operating current not exceeding 30 mA are suitable. Unfortunately, modem current-using equipment supplied...
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Procognitive activity of nitric oxide inhibitors and donors in animal models
PublikacjaNitric oxide is a small gaseous molecule that plays important roles in the majority of biological functions. Impairments of NO-related pathways contribute to the majority of neurological disorders, such as Alzheimer’s disease (AD), and mental disorders, such as schizophrenia. Cognitive decline is one of the most serious impairments accompanying both AD and schizophrenia. In the present study, the activities of NO donors, slow (spermine...
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Algoritmically improved microwave radar monitors breathing more acurrate than sensorized belt
PublikacjaThis paper describes a novel way to measure, process, analyze, and compare respiratory signals acquired by two types of devices: a wearable sensorized belt and a microwave radar-based sensor. Both devices provide breathing rate readouts. First, the background research is presented. Then, the underlying principles and working parameters of the microwave radar-based sensor, a contactless device for monitoring breathing, are described....
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Reliability and Validity of Optoelectronic Method for Biophotonical Measurements
PublikacjaReliability and validity of measurements is of utmost importance when assessing measuring capability of instruments developed for research. In order to perform an experiment which is legitimate, used instruments must be both reliable and valid. Reliability estimates the degree of precision of measurement, the extent to which a measurement is internally consistent. Validity is the usefulness of an instrument to perform accurate...
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Influence of finishing colour on the efficiency of automated production line for wooden doors
PublikacjaPorta KMI Poland S.A. company has implemented a fully automated intelligent technological line TechnoPORTA for customized mass-production of technical door leaves. Each door leaf is provided with a unique QR code. It allows the line modules to individually adjust the machining parameters to the currently processed element according to the IT controlling system. Before en-tering the TechnoPorta line, the door leaves are not sorted,...
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Projekt stanowiska badawczego do wyznaczania charakterystyki ogólnej silnika spalinowego ZS przy wykorzystaniu hydraulicznego układu odbioru mocy
PublikacjaPrzedstawiono projekt stanowiska badawczego służącego do wyznaczania charakterystyki ogólnej silnika pojazdu ciężarowego, wykorzystując przystawkę odbioru mocy do napędu układu hydraulicznego generującego obciążenie silnika w różnych punktach jego pracy. Przedstawiono założenia projektowe oraz ograniczenia konstrukcyjne. Omówiono zasadę działania stanowiska i metodę wyznaczania charakterystyki. Opisano układ hydrauliczny oraz układ...
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Chemometric methods for determination of mechanisms of action of anticancer compounds
PublikacjaW 1990 amerykański Narodowy Instytut Raka (NCI) wprowadził szeroki test przesiewowy in vitro mający na celu poszukiwanie nowych związków przeciwnowotworowych. Test został wdrożony po przebadaniu 171 standardowych związków przeciwnowotworowych. Przedmiotem niniejszej pracy jest próba stworzenia reguł klasyfikacji związków standardowych ze względu na ich mechanizm działania przeciwnowotworowego na podstawie wyników z testu NCI. Potwierdzono...
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Fracture of aluminium joints bonded with epoxy adhesive reinforced by mmt nanoparticles
PublikacjaCrack propagation behavior was studied for aluminium/aluminum adhesive joints bonded with two epoxy adhesives: pure and reinforced with clay nanoparticles. The focus was also on the novel use of the constant displacement rate test to study adhesion/adhesives efficiency. The epoxy systems studied were: Epidian E6 produced from bisphenol A and epichlorohydrin, (''Organika -Sarzyna'' Poland); pure or strengthened with montmorillonit...
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Feedback Control of Multiphase Induction Machines with Backstepping Technique
PublikacjaThe paper presents the control possibility of five phase induction machines. In the proposed solution the machine model vector form is not transformed to the (dq)-coordinate system, that is connected to rotor flux vector, but utilizes the stationary system ( αβ ). Moreover, the nonlinear model linearization is based on demonstrated nonlinear variables transformation for i-orthogonal ( αβ )(n) planes. By introducing the backstepping...
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Considerations of Adaptive Digital Communications in Underwater Acoustic Channel
PublikacjaDown-link communication (DLC) and air transportable communication (ATAC) buoys as well as autonomous underwater vehicles (AUV) use acoustic links for gathering oceanographic data from underwater monitoring systems. The underwater channel propagation conditions are diverse in nature and require a special adaptive approach to the communication system design. The article presents a methodology for the communication systems design,...
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Virtual Engineering Object (VEO): Toward Experience-Based Design and Manufacturing for Industry 4.0
PublikacjaIn this article we propose the concept, its framework, and implementation methodology for Virtual Engineering Objects (VEO). A VEO is the knowledge representation of an engineering object that embodies its associated knowledge and experience. A VEO is capable of adding, storing, improving, and sharing knowledge through experience. Moreover, it is demonstrated that VEO is a specialization of a Cyber-Physical System (CPS). In this...
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Szybka identyfikacja harmonicznych na podstawie oszczędnego próbkowania
PublikacjaW pracy przedstawiono implementację szybkiego algorytmu rekonstrukcji sygnału, opartego na teorii oszczędnego próbkowania, który może wykrywać harmoniczne w sygnale wejściowym. Zagadnienie rekonstrukcji sygnału jest problemem optymalizacyjnym rozwiązywanym za pomocą algorytmu programowania liniowego. Dodatkowo, aby przyspieszyć zbieżność rozwiązania zastosowano w rzadkiej dziedzinie sygnału filtr typu K-rank-order. Przeprowadzona...
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Mechanical analysis of eccentric defected bilayer graphene sheets considering the van der Waals force
PublikacjaIn this article, we have tried to simulate nonlinear bending analysis of a double-layered graphene sheet which contains a geometrical imperfection based on an eccentric hole. The first-order shear deformation theory is considered to obtain the governing equations. Also, the nonlinear von Kármán strain field has been assumed in order to obtain large deformations. Whereas the double-layered graphene sheet has been considered, the...
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Robust four-node elements based on Hu–Washizu principle for nonlinear analysis of Cosserat shells
PublikacjaMixed 4-node shell elements with the drilling rotation and Cosserat-type strain measures based onthe three-field Hu–Washizu principle are proposed. In the formulation, apart from displacement and rotationfields, both strain and stress resultant fields are treated as independent. The elements are derived in the frame-work of a general nonlinear 6-parameter shell theory dedicated to the analysis of multifold irregular shells.The...
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Cognitive motivations and foundations for building intelligent decision-making systems
PublikacjaConcepts based on psychology fit well with current research trends related to robotics and artificial intelligence. Biology-inspired cognitive architectures are extremely useful in building agents and robots, and this is one of the most important challenges of modern science. Therefore, the widely viewed and far-reaching goal of systems research and engineering is virtual agents and autonomous robots that mimic human behavior in...
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Theoretical designing of selenium heterocyclic non-fullerene acceptors with enhanced power conversion efficiency for organic solar cells: a DFT/TD-DFT-based prediction and understanding
PublikacjaIn this study, we have designed and explored a new series of non-fullerene acceptors for possible applications in organic solar cells. We have designed four molecules named as APH1 to APH4 after end-capped modification of recently synthesized Y6-Se-4Cl molecule. Density functional theory and time dependent-density functional theory have been employed for computing geometric and photovoltaic parameters of the designed molecules....
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Electromodulation of monomer and excimer phosphorescence in vacuum-evaporated films of platinum (II) complexes of 1,3-di(2-pyridyl)benzenes
PublikacjaElectric field-modulated photoluminescence (EML) measurements are presented for vacuum-evaporated films of cyclometallated Pt (II) complexes of 1,3-di(2-pyridyl) benzenes used as triplet emitters in organic light-emitting diodes (OLEDs). The excimer phosphorescence is quenched by the external electric field of 2.5 MV/cm up to 25% but the same effect on monomer phosphorescence is one order of magnitude smaller. The higher quenching...