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Search results for: charge density waves
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Charge Loss in Gas-Phase Multiply Negatively Charged Oligonucleotides
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Doping-Induced Immobile Charge Carriers in Polyazomethine: A Spectroscopic Study
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Charge Distribution and Hyperfine Interactions in GdBa2Cu3O7 from First Principles
PublicationW rozdziale przedstawiono wyniki obliczeń "z zasad pierwszych" (''ab initio'') struktury elektronowej, rozkładu ładunku i struktury nadsubtelnej, w szczególności gradientu pola elektrycznego (EFG) i składnika kontaktowego pola nadsubtelnego (HFF), nadprzewodnika wysokotemperaturowego o wzorze GdBa2Cu3O7 (Gd123). Do obliczeń wykorzystano metodę FP-LAPW (full-potential linearized augmented plane wave). Efekty związane z oddziaływaniami...
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Reversible electron charge transfer in single-wall carbon nanotubes
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Magnetic hyperfine modulation of charge photogeneration in solid films of Alq3.
PublicationZewnętrzne pole magnetyczne (B=100mT) zwiększa fotoprzewodnictwo w hydro-sychinolinowym kompleksie aluminium (Alq3) o 6%. W silniejszych polach magnetycznych (B>100mT) wielkość efektu osiąga stałą wartość. Zaobserwowane wyniki doświadczalne wyjaśniono biorąc pod uwagę magnetyczno-polową modulację oddziaływań nadsubtelnych singletowych i trypletowych par elektron-dziurawy tworzonych w procesie fotogeneracji ładunku.
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Cell Density-Dependent Cytological Stage Profile and Its Application for a Screen of Cytostatic Agents Active Toward Leukemic Stem Cells
PublicationProliferation and expansion of leukemia is driven by leukemic stem cells (LSCs). Multidrug resistance (MDR) of LSCs is one of the main reasons of failure and relapses in acute myeloid leukemia (AML) treatment. In this study, we show that maintaining HL-60 at low cell culture density or applying a 240-day treatment with anthrapyridazone (BS-121) increased the percentage of primitive cells, which include LSCs determining the overall...
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Heart irradiation reduces microvascular density and accumulation of HSPA1 in mice
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Self-normalized density map (SNDM) for counting microbiological objects
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Influence of mesh density on 2D viscous flutter in a turbomachinery cascade
PublicationIn this study numerical simulations of 2D viscous flutter were performed and compared with available experimental results for various mesh densities and flow parameters. Calculations were carried out for the bending oscillations of an Eleventh Standard Configuration cascade. ANSYS CFX code was used for the SST, SA and k-ω turbulence model calculations.
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Spectral density distribution moments as novel descriptors for QSAR/QSPR
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Analysis of Factors Influencing the Density of Fatalities on National Roads in Poland
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Technical State Assessment of Charge Exchange System of Self-Ignition Engine, Based On the Exhaust Gas Composition Testing
PublicationThis paper presents possible use of results of exhaust gas composition testing of self - ignition engine for technical state assessment of its charge exchange system under assumption that there is strong correlation between considered structure parameters and output signals in the form of concentration of toxic compounds (ZT) as well as unambiguous character of their changes. Concentration of the analyzed ZT may be hence considered...
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Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
PublicationAbstract A series of diaminium thiosulfates, derivatives of diamines: NH2CH2CH(CH3)NH2 (1) and NH2(CH2)nNH2, n = 3-6 (2-5 respectively)and thiosulfuric acid were prepared and their structures determined by crystal X-ray diffraction analysis. Compounds 1, 2 and 4 turned out to be hydrates. The crystal structure of 1,2-proylenediaminium thiosulfate is chiral and exhibits spontaneous resolution. Crystals for both enantiomers...
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A Comprehensive Survey on Antennas On-Chip Based on Metamaterial, Metasurface, and Substrate Integrated Waveguide Principles for Millimeter-Waves and Terahertz Integrated Circuits and Systems
PublicationAntennas on-chip are a particular type of radiating elements valued for their small footprint. They are most commonly integrated in circuit boards to electromagnetically interface free space, which is necessary for wireless communications. Antennas on-chip radiate and receive electromagnetic (EM) energy as any conventional antennas, but what distinguishes them is their miniaturized size. This means they can be integrated inside...
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Validation study on a new semi-empirical method for the prediction of added resistance in waves of arbitrary heading in analyzing ship speed trial results
PublicationThis paper describes an open and extensive validation study carried out by the Specialist Committee on Ships in Operation at Sea (SOS) of the International Towing Tank Conference (ITTC) on the newly developed SHOPERA-NTUA-NTU-MARIC (SNNM) wave-added resistance prediction method. The SNNM method aims at a simple, fast and transparent determination of the added resistance in regular waves of arbitrary encounter directions, even when...
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Ground lemon and stevia leaves as renewable functional fillers with antioxidant activity for high-density polyethylene composites
PublicationThe development of new sustainable material solutions in the processing of thermoplastic polymers concerns both the application of biopolymers and the use of valorized plant derivatives as fillers and modifiers of petrochemical polymers. Herein, the possibility of using unprocessed raw parts of two commonly used in the food industry leaves, i.e., lemon (LL) and stevia (ST), as active and functional fillers for high-density polyethylene...
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Deep learning approach for delamination identification using animation of Lamb waves
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Deep learning super-resolution for the reconstruction of full wavefield of Lamb waves
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Guided waves in steel rails - experimental works and wavelet signal processing
PublicationW artykule zaprezentowano analizę falkową pomierzonych eksperymentalnie fal sprężystych wzbudzanych w szynach kolejowych.
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Propagation of elastic waves in structural elements by spectral finite element methods
PublicationW pracy przedstawiono metodę elementów spektralnych w zastosowaniu do analizy propagacji fal sprężystych w elementach konstrukcyjnych.
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Weakly nonlinear dynamics of short acoustic waves in exponentially stratified gas
PublicationRozpatruje się dynamika krótkich (w porównywaniu z charakterystyczną skalą zmiany gęstości gazu atmosferycznego) fal akustycznych. Wyprowadzone nowe równanie ewolucyjne, które uwzględnia dyspersję i nieliniowy charakter propagacji tych fal. Porównuje sie liniowa i nieliniowa dynamika. Ilustracje propagacji, numeryczne wyliczione na podstawie nowych wzorów, są przedstawione. Indexed and abstracted (from vol. 32(1) 2007) in Science...
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Model research and numerical calculations of the buoy for capturing of the sea-waves energy
Publicationw pracy przedstawiono konstrukcję i zasadę działania modelu 1:5 boi do pozyskiwania energii fal morskich oraz wyniki badań eksperymentalnych prowadzonych w dużym basenie w Centrum techniki Okrętowej w Gdańsku.Ponadto przedstawiono numeryczny model obliczeniowy i wybrane wyniki symulacji zachowania się boi na fali regularnej.
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Guided Waves in Steel Rails – Experimental Works and Wavelet Signal Processing
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Acousto-optic interaction with the use of cylindrical ultrasonic waves in the laser cavity
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Propagation of guided elastic waves in shell-type aircraft structural elements
PublicationW pracy przedstawiony powłokowy spektralny element skończony do analizy zjawiska propagacji fal sprężystych w elementach konstrukcyjnych typu powłokowego.
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Experimental Investigation of Elastic Waves Propagation in 1D and 2D Structures with Faults.
PublicationW pracy omówiono wyniki pomiarów fal sprężystych w prętach, belkach i płytach z uszkodzeniami.
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Guided waves for monitoring of plate structures with linear cracks of variable length
PublicationDamage occurring at the work of plate structures may grow to a considerable size. The joint action – the detection of a defect at the earliest possible stage, the monitoring of its growth and the determination of its critical size in the context of structural reliability allows optimizing the cost of the maintenance and repair of structural elements. Thus the development of monitoring systems for permanent observation of fault...
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Waves Along Fractal Coastlines: From Fractal Arithmetic to Wave Equations
PublicationBeginning 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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TRAVELLING WAVES FOR LOW–GRADE GLIOMA GROWTH AND RESPONSE TO A CHEMOTHERAPY MODEL
PublicationLow-grade gliomas (LGGs) are primary brain tumours which evolve very slowly in time, but inevitably cause patient death. In this paper, we consider a PDE version of the previously proposed ODE model that describes the changes in the densities of functionally alive LGGs cells and cells that are irreversibly damaged by chemotherapy treatment. Besides the basic mathematical properties of the model, we study the possibility of the...
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Modelling of the finite amplitude waves interaction problem inside truncated cone.
PublicationModel matematyczny zjawiska oddziaływania fal o dużej amplitudzie dla przetwornika kołowego zbudowanego w oparciu o równanie KZK. Rozwiązania zagadnienia poszukiwano wewnątrz stożka ściętego. Do rozwiązania zagadnienia zastosowano metodę różnic skończonych. Podano przykładowe wyniki badań numerycznych.
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Interaction of vortical and acoustic waves: from general equations to integrable cases
PublicationWyprowadzono operatory rzutu przepływu w warstwie lepkiej przyściennej na podstawowe typy ruchów. Wyprowadzono również układy równań dynamicznych sterujących przepływem. Zaproponowano metody analityczne dalszego rozwiązywania tych równań.
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Magnetic properties of charge ordered complex TCNQ salts with lattice distortions
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Influence of material properties of charge on electrical parameters of induction heating setup
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Video component of a computer system to supervise of charge position by induction heating
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The stand for determining of thermal‐electrical material properties of induction heated charge
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Coexistence of dissociation and annihilation of excitons on charge carriers in organic phosphorescent emitters
PublicationW pracy badano elektrycznopolową dysocjację ekscytonów i wygaszanie ekscytonów na nośnikach ładunku elektrycznego w organicznym kompleksie irydu (III), umieszczonego w matrycy poliwęglan : dwuamina TPD. Proces dysocjacji ekscytonów jest zgodny z trójwymiarowym modelem Onsagera. Analiza ilościowa wygaszenia ładunkowego fotoluminescencji pozwoliła wyznaczyć stałe oddziaływania ekscyton - ładunek elektryczny.
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Charge photogeneration effect on the exciplex emission from thin organic films
PublicationZaobserwowano silne wygaszenie fluorescencji i fosforescencji ekscypleksowej w układzie dwuamina TPD (donor elektronu): pochodna fenantroliny BPT (akceptor elektronu) w zewnętrznym polu elektrycznym. Efekt ten przypisano wygaszaniu molekularnych ekscytonów singletowych TPD na elektronach akceptorów BPT.
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Charge dependence of fragmentation process induced by ion collisions with furan molecule
PublicationThe goal of this work is to describe the system evolution after ion-molecule interaction. We combine different quantum chemistry and statistical mechanics approaches in order to give extended description of the process. Herein we report on a recent study of the fragmentation mechanism of neutral, singly- and doubly-ionized furan molecule in the gas phase.
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Is the Solid Electrolyte Interphase an Extra-Charge Reservoir in Li-Ion Batteries?
PublicationAdvanced metal oxide electrodes in Li-ion batteries usually show reversible capacities exceeding the theoretically expected ones. Despite many studies and tentative interpretations, the origin of this extra-capacity is not assessed yet. Lithium storage can be increased through different chemical processes developing in the electrodes during charging cycles. The solid electrolyte interface (SEI), formed already during the first...
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Dependence of the charge carries photogeneration yield on the bimolecular recombination in tetracene layers
PublicationBadano mechanizmy generacji nośników ładunku dwóch znaków w warstwie tetracenu. Rezultaty pomiarów doświadczalnych oraz prowadzona analiza wykazały, że rekombinacja wpływa znacząco na produkcję nośników ujemnych.
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Ab initio molecular treatment for charge transfer by S3+ ion on hydrogen.
PublicationPoliczono adiabatyczne potencjały oddziaływania między jonem siarki i wodoru. Dokonano obliczeń nieadiabatycznych sprzężeń pomiędzy tymi potencjałami. Obliczenia wykazały, że należy wziąć pod uwagę niezbadany wcześniej poziom energetyczny jonu siarki aby dokładnie wyjaśnić mechanizm przechwytu ładunku.
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Sano-Tachiya-Noolandi-Hong, Onsager and Braun models vs Monte Carlo simulation of charge photogeneration in organic solids
PublicationThe Sano-Tachiya-Noolandi-Hong (STNH), Onsager, and Braun models as well as Monte Carlo (MC) simulations of charge recombination/separation have been applied for the first time to reproduce the results of the electromodulated photoluminescence measurements in vacuum-evaporated films of fluorescent materials commonly used in optoelectronic devices. The values of the electron-hole pair final recombination speed in the monomer emitters:...
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Collective modes of the extended Hubbard model with negativeUand arbitrary electron density
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Influence of initial density of cohesionless soil on evolution of passive earth pressure
PublicationArtykuł porusza problem odporu bezkohezyjnego gruntu. Obliczenia wykonano wykorzystując metodę elementów skończonych na bazie mikropolarnego prawa hipolastycznego. W obliczeniach przyjęto różne początkowe zagęszczenia oraz średnice cząstek gruntu.
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Energetic density of states in copper phthalocyanine studied by modulated photocurrent method
PublicationPrzy pomocy metody modulowanych fotoprądów określono różniczkowy i całkowy rozkład stanów pułapkowych w naparowanej ftalocyjaninie miedzi w koplanarnej konfiguracji elektrod próbki.
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Structure and elastic properties of Mg(OH)2from density functional theory
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Direct estimation of functional and density operators by local operations and classical communication.
PublicationWykazano, że można dokonywać detekcji splątania w paradygmacie odległych laboratoriów. Pokazano, jak można fizycznie zaimplementować strukturalne przybliżenie fizyczne niefizycznego odwzorowania w tym paradygmacie.
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Poly-L-Lysine-functionalized fluorescent diamond particles: pH triggered fluorescence enhancement via surface charge modulation
PublicationRecently, the interest in applying fluorescent diamond particles (FDPs) containing nitrogen-vacancy (NV) centers for enhancing the mechanical and chemical properties of some materials, biological imaging, and sensing has been expanding rapidly. The unique properties of NV centers such as intensive, time-stable fluorescence, and an electron spin, which exhibits long coherence time and may be manipulated using external stimuli, such...
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublicationIterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using...