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Wyniki wyszukiwania dla: physics
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The dynamics of total outputs of Indonesian industrial sectors: A further study
PublikacjaThe purpose of the current study is to extend the previous studies which analyze the impacts of final demands modifications on the total outputs of industrial sectors of a particular country. More specifically, the study conducts the analysis regarding the impacts on the total outputs of Indonesian industrial sectors. The study employs a demand pull Input-Output (IO) quantity model, one of the calculation instruments in the IO...
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DMI measurements impact on a position estimation with lack of GNSS signals during Mobile Mapping
PublikacjaNowadays, Mobile Laser Scanning is common in use in addition to geodesy measurements. The data which are provided by the system characterizes with high precision and flexibility. To precise mapping, the accuracy of the data should be maintained. In Poland, according to the minister’s dispositions, the accuracy of the data should not exceeded 10 cm. With fully operated system it is easy to uphold, but there is a situation when a...
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Gold nanoparticles and their coatings, their effect on cells and their interaction with radiation
PublikacjaTwo nanometre gold nanoparticles (AuNPs), bearing sugar moieties and/or polyethylene glycolamine (PEG-amine), were synthesised and evaluated for their in vitro toxicity and ability to radiosensitise cells with 220 kV and 6 MV X-rays, using four cell lines representing normal and cancerous skin and breast tissues. In addition to the observed intrinsic cancer-selective chemotoxicity, these AuNPs acted as radiosensitisers in combination with...
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Electron ionization and low energy electron attachment to molecules of biological interest
PublikacjaEthylenediaminetetraacetic acid (EDTA) and 2-amino-2-(hydroxymethyl)-1,3-propanediol (TRIS) were investigated by electron impact ionization and low energy electron attachment. Both compounds are components of biological buffers and often are used as DNA stabilizers in irradiation studies. hus it is of a great importance to understand their potential interactions with radiation. Our results revealed that at least one of them, EDTA, may...
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Understanding the formation of metastable furan dication in collisions with ions
PublikacjaThis work relies on complementary theoretical and experimental studies of the processes induced by ion-furan collisions. Results of the Molecular Dynamics simulations and exploration of the energy profiles combined with coincidence mass spectrometry provide complete picture of the fragmentation of furan dication.
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Determination of energy-transfer distributions in ionizing ion-molecule collisions
PublikacjaThe main objective of this study is to determine the energy transfer occuring in ion-molecule collisions. In order to solve this problem, we followed two approaches; the first one by validating a purely experimental method and the second one by testing a new theoretical model M3C (Microcanonical Metropolis Monte Carlo).
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Contact with coupled adhesion and friction: Computational framework, applications, and new insights
PublikacjaContact involving soft materials often combines dry adhesion, sliding friction, and large deformations. At the local level, these three aspects are rarely captured simultaneously, but included in the theoretical models by Mergel et al., (2019). We here develop a corresponding finite element framework that captures 3D finite-strain contact of two deformable bodies. This framework is suitable to investigate sliding friction even...
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Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
PublikacjaThe knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...
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Generation of the vorticity mode by sound in a vibrationally relaxing gas
PublikacjaW badaniu została przedstawiona procedura wyprowadzenia nowego równania dla modu wirowego generowanego przez ultradźwięki w gazach z pobudzonymi stopniami swobody. Pokazano, że w pewnych warunkach kierunek linii prądu dla modu wirowego jest przeciwny w porównaniu do płynów ze standardowym tłumieniem. Teoria została zilustrowana na przykładzie generowania modu wirowego przez okresową wiązkę akustyczną ze słabą dyfrakcją poprzeczną.
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Early models of DNA damage formation
PublikacjaPrzeanalizowano jedne z pierwszych modeli opisujących uszkodzenia nici DNA. Przeanalizowano uszkodzenia powstające w pojedynczych i podwójnych niciach, pod wpływem czynników fizycznych i chemicznych.
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Influence of temperature and interactions with ligands on dissociation of dsDNA and ligand-dsDNA complexes of various types of binding : an electrochemical study.
PublikacjaSeveral medicinally important compounds that bind to dsDNA strands via intercalation (C-1311, C-1305, EtBr), major groove binding (Hoechst 33258) and covalent binding (cis-Pt) were examined. The obtained results suggest that both the transfer of conformation B to C and the denaturation process, for the ligand-dsDNA complexes, except for covalently bound cis-Pt, took place at higher temperatures compared to the unbound helix. Furthermore,...
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Possible schemes of photoassociation processes in the KLi molecule with newly calculated potential energy curves
PublikacjaWe present four promising schemes for photoassociative formation of KLi molecule in its ground electronic state. Analysis is based on newly calculated adiabatic potentials supported by transition dipole moments and Franck-Condon factors.
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The study of structure and surface morphology of lithium titanate sol-gel derived thin films
PublikacjaIn this paper the structure and the surface morphology of lithium titanate (LTO) thin films are presented. Nanocrystalline thin films were prepared by sol–gel method. To examine the influence of the annealing time on as-prepared films crystallization, the coatings were heated at different temperatures in the range of 500 °C–600 °C for 10, 20, 40 and 80 h. The structure of the obtained material was investigated using the X-ray diffraction...
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Intrinsic asymmetry with respect to adversary: a new feature of Bell inequalities
PublikacjaIt is known that the local bound of a Bell inequality is sensitive to the knowledge of the external observer about the settings statistics. Here we ask how that sensitivity depends on the structure of that knowledge. It turns out that in some cases it may happen that the local bound is much more sensitive to the adversaryʼs knowledge about the settings of one party than the other. Remarkably, there are Bell inequalities which are...
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Constructive entanglement test from triangle inequality
PublikacjaWe derive a simple lower bound on the geometric measure of entanglement for mixed quantum states in the case of a general multipartite system. The main ingredient of the presented derivation is the triangle inequality applied to the root infidelity distance in the space of density matrices. The obtained bound leads to entanglement criteria with a straightforward interpretation. The proposed criteria provide an experimentally accessible,...
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Interaction of cisplatin and two potential antitumoral platinum(ii) complexes with a model lipid membrane: a combined NMR and MD study
PublikacjaIn this study, the interaction of cisplatin (1) and two potential antitumoral Pt(II) complexes (2 and 3) with a model DMPC bilayer was investigated by multinuclear NMR spectroscopy and MD simulations in order to understand its implication for the different antitumoral properties shown by the three complexes. In particular, 31P, 13C and 2H solid state NMR experiments were performed to obtain information on the phase structure, phase...
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The vortex flow caused by sound in a bubbly liquid
PublikacjaGeneration of vorticity in the field of intense sound in a bubbly liquid in the free half-space is considered. The reasons for generation of vorticity are nonlinearity, diffraction, and dispersion. Acoustic streaming differs from that in a Newtonian fluid. Under some conditions, the vortex flow changes its direction. Conclusions concern streaming induced by a harmonic or an impulse Gaussian beam.
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Quantum corrections to quasi-periodic solution of Sine-Gordon model and periodic solution of phi^4 model
PublikacjaAnalytical form of quantum corrections to quasi-periodic solution of Sine-Gordon model and periodic solution of phi^4 model is obtained through zeta function regularisation with account of all rest variables of a d-dimensional theory. Qualitative dependence of quantum corrections on parameters of the classical systems is also evaluated for a much broader class of potentials u(x) = b^2 f(bx) + C with b and C as arbitrary real constants
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Investigation of the aerodynamics of an innovative verticalaxis wind turbine
PublikacjaThis paper presents a preliminary three dimensional analysis of the transient aerodynamic phenomena occurring in the innovative modification of classic Savonius wind turbine. An attempt to explain the increased efficiency of the innovative design in comparison with the traditional solution is undertaken. Several vorticity measures such as enstrophy, absolute helicity and the integral of the velocity gradient tensor second invariant...
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Crystal structure and electronic structure of CePt2In7
PublikacjaWe report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt–In stacking along the c-direction in this layered material than was previously reported. In addition, all of the atomic sites are fully occupied with no evidence of atom site mixing, resolving a discrepancy between the observed high resistivity ratio of...
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Superconducting properties and electronic structure of NaBi
PublikacjaResistivity, dc magnetization, and heat capacity measurements are reported for superconducting NaBi. Tc, the electronic contribution to the specific heat γ, the ΔCp/γTc ratio, and the Debye temperature are found to be 2.15 K, 3.4 mJ mol−1 K−2, 0.78, and 140 K respectively. The calculated electron–phonon coupling constant (λep = 0.62) implies that NaBi is a moderately coupled superconductor. The upper critical field and coherence...
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237Np Mössbauer effect study on NpFeAsO
PublikacjaWe report 237Np Mössbauer measurements on NpFeAsO. The Np atoms were found to occupy only one crystallographic site. The value of the isomer shift (δ ∼ 9.1 mm s−1 versus NpAl2) indicates a 5f4 electronic configuration (Np3+ ions). The magnetic ordering of the Np sublattice below 60 K is established and the saturated ordered magnetic moment is determined to be 1.73μB at 3.6 K. The unique set of hyperfine parameters exclude a modulated...
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Integrable zero-range potentials in a plane
PublikacjaWe examine general statements in the Wronskian representation of Darboux transformations for plane zero-range potentials. Such expressions naturally contain scattering problem solution. We also apply Abel theorem to Wronskians for differential equations and link it to chain equations for Darboux transforms to fix conditions for further development of the underlying distribution concept. Moutard transformations give a convenient...
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A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
PublikacjaIn this theoretical work, we present a spectroscopic analysis of the cis/trans-isomers of a molecular switch, penta-2,4-dienoic acid, attached to gold clusters of different size (1, 2 and 20 gold atoms). We have simulated 4 different spectroscopic techniques: Infrared spectroscopy, normal Raman scattering, absorption spectra and resonance Raman scattering. We discuss how the position and the conformation of the molecule determine...
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Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy
PublikacjaThe thermally induced self-healing mechanisms in metallopolymers based on bisterpyridine complexes of iron(II) sulfate and cadmium(II) bromide, respectively, were studied by means of combined quantum mechanical/molecular mechanical (QM/MM) simulations and Raman spectroscopy. Two possible healing schemes, one based on a decomplexation of the cross-linking complexes and a second one relying on the dissociation of ionic clusters,...
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Are stabilizing osmolytes preferentially excluded from the protein surface? FTIR and MD studies
PublikacjaInteractions between osmolytes and hen egg white lysozyme in aqueous solutions were studied by means of FTIR spectroscopy and molecular dynamics. A combination of difference spectra method and chemometric analysis of spectroscopic data was used to determine the number of osmolyte molecules interacting with the protein, and the preferential interaction coefficient in presented systems. Both osmolytes – L-proline and trimethylamine-N-oxide...
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Wave propagation in damage assessment of ground anchors
PublikacjaThe inspection possibilities of ground anchors are limited to destructive test such as pull-out test. Guided wave propagation gives an opportunity to develop an inspection system dedicated to determine the condition of inspected element without violation of their integrity. In this paper the experimental study on wave propagation in laboratory models of ground anchors are presented. Experiments were conducted for different bonding...
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Semi-definite programming and quantum information
PublikacjaThis paper presents a comprehensive exploration of semi-definite programming (SDP) techniques within the context of quantum information. It examines the mathematical foundations of convex optimization, duality, and SDP formulations, providing a solid theoretical framework for addressing optimization challenges in quantum systems. By leveraging these tools, researchers and practitioners can characterize classical and quantum correlations,...
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Tuning the work function of graphite nanoparticles via edge termination
PublikacjaGraphite nanoparticles are important in energy materials applications such as lithium-ion batteries (LIBs), supercapacitors and as catalyst supports. Tuning the work function of the nanoparticles allows local control of lithiation behaviour in LIBs, and the potential of zero charge of electrocatalysts and supercapacitors. Using large scale density functional theory (DFT) calculations, we find that the surface termination of multilayer...
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Raman spectroscopic study of Ni2+-DNA interactions in aqueous systems
PublikacjaMetodą ramanowskich widm różnicowych określono sposób oddziaływania jonu Ni2+ z DNA(CT) w układach wodnych. Kation Ni(II) koordynuje w pozycjach N7 guaniny (G) i adeniny (A) w powtarzających się sekwencjach GG, AA i GA cząsteczki DNA. Jednocześnie Ni2+ oddziałuje zewnątrz sferowo poprzez cząsteczki wody z grupami fosforanowymi DNA.
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Testing interaction models by using x-ray absorption spectroscopy: solid Pb
PublikacjaPraca prezentuje zastosowanie metody EXAFS jako narzędzia do testowania potencjałów oddziaływań międzyatomowych używanych w symulacjach dynamiczno-molekularnych na przykładzie czystego ołowiu w fazie stałej (od temperatury pokojowej do temperatury topnienia). Testowaniu poddano następujące potencjały: dwuciałowy empiryczny potencjał Dzugutova, Larssona i Ebbsjo (DLE), potencjał ciasnego wiązania (TB) i potencjał w modelu osadzonego...
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Preferential solvation in (amide+alcohol) binary mixtures. Part 2. The N-methylpyrrolidinone+methanol mixture at T = 313.15 K: thermodynamic resultsand molecular dynamics calculations.
PublikacjaBadano zjawisko preferencyjnej solwatacji amidu (N-metylopyrrolidonu) przez metanol wykorzystując dwie uzupełniające się metody: bezpośrednich pomiarów własności termodynamicznych roztworu oraz symulacji komputerowych. W metodzie pierwszej dokonano pomiarów wielkości termodynamicznych takich jak: nadmiarowa energia swobodna mieszania, nadmiarowa objętość mieszania oraz współczynnika ściśliwości izotermicznej mieszaniny,...
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Preferential solvation in (amide+alcohol) binary mixtures. Part 1. The N- methylpyrrolidinone+ethanol mixture at T = 313.15 K: thermodynamic resultsand molecular dynamics calculations.
PublikacjaBadano zjawisko preferencyjnej solwatacji amidu (N-metylopyrrolidonu) przez etanol wykorzystując dwie uzupełniające się metody: bezpośrednich pomiarów własności termodynamicznych roztworu oraz symulacji komputerowych. W metodzie pierwszej dokonano pomiarów wielkości termodynamicznych takich jak: nadmiarowa energia swobodna mieszania, nadmiarowa objętość mieszania oraz współczynnika ściśliwości izotermicznej mieszaniny,...
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Modulated photocurrents in a sandwich-cell structure: II. Influence of biasillumination intensity and carrier diffusion
PublikacjaPodano przybliżone wyrażenia opisujące modulowane fotoprądy (na podstawiemodelu wielokrotnego pułapkowania) w uwzględnieniem czynników wymienionych wtytule. Zbadano numerycznie ich wpływ na modulowane fotoprądy dla modelowychrozkładów pułapek. Otrzymano wzór - kryterium zaniedbania wpływu dyfuzji nafotoprądy.
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Optical and electrical properties of Pr0.8Sr0.2MnO3 thin films.
PublikacjaPrzedstawiono preparatykę, strukturę oraz optyczne i elektryczne właściwości cienkowarstwowego Pr0.8Sr0.2MnO3. Gęste filmy o grubości 50-70nm zostały naniesione na monokrystaliczne podłoże szafirowe metodą odwirowania prekursora polimerowego. Wyniki optycznych pomiarów zostały skorelowane z temperaturą syntezy filmów. Pokazano, że optyczne spektra zmieniają kształt wraz ze zmianą struktury filmu z amorficznej do krystalicznej....
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Structural studies of bismuth nanocrystals embedded in SiO2 or GeO2 matrices.
PublikacjaW wyniku wygrzewania w atmosferze wodoru szkieł bizmutowych i germanowych otrzymano warstwę nanogranul bizmutu w otoczeniu amorficznej matrycy oraz powierzchniową warstwę bizmutowych granul. Grubość i struktura tak otrzymanych warstw silnie zależy od czasu i temperatury redukcji.
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Surface morphology of PrBa2Cu3O7-ë single crystals after the long lasting high temperature reduction. .
PublikacjaZaprezentowano wyniki szczegółowej analizy powierzchni kryształów poddanych długotrwałej redukcji wysokotemperaturowej. Badania za pomocą skaningowej mikroskopii (SEM) wykazały obecność niestabilnych strukturalnie krystalitów powstałych w wyniku rozpadu powierzchni kryształów. Zanikanie zaindukowanego przy pomocy obróbki wysokotemperaturowej nadprzewodnictwa może być spowodowane migracją defektów podsieci Pr-Ba z wnętrza...
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On entaglement distillation and quantum error correction of unknown states and channels.
PublikacjaBadano niezmienniczości splątania kwantowego oraz pojemności kwantowego kanału ze względu na ewentualną utratę informacji o pojedynczej kopii kwantowego stanu. Pokazano, że jeżeli dany kwantowy kanał ma pewne pojemności niezerowe, to odpowiadające mu stany posiadają niezerowe destylowalne splątanie. Postawiono pewne otwarte problemy dotyczące destylowalności splątania.
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On the tolerance modelling of heat conduction in functionally graded laminated media
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New model simulations of the global atmospheric electric circuit driven by thunderstorms and electrified shower clouds: The roles of lightning and sprites
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A global atmospheric electricity monitoring network for climate and geophysical research
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Ridging, strength, and stability in high-resolution sea ice models
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Improving osteoblasts cells proliferation via femtosecond laser surface modification of 3D-printed poly-ε-caprolactone scaffolds for bone tissue engineering applications
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Deposition, morphology and functional properties of layers based on DLC:Si and DLC:N on polyurethane
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Correction to: Investigation of cationic distribution, Y–K angles, and optical and dielectric properties of as-synthesized cerium-doped cobalt nano-ferrites prepared by co-precipitation method
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Piecewise continuous distribution function method: Fluid equations and wave disturbances at stratified gas
PublikacjaUkład równań typu hydrodynamicznego dla warstwowych gazów w polu grawitacyjnym pochodzi od równania BGK metodą częściowej ciągłej funkcji dystrybucji. Otrzymany system równań uogólnia układ Naviera-Stokesa w dowolnych liczbach Knudsena. Rozwiązania WBK dla ultradźwięku wprowadza się w przypadku stratyfikacji exponecjalnej.
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Optimal assignment of workers to supporting services in a hospital
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Aluminium surface treatment with ceramic phases using diode laser
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The influence of laser alloying on the structure and mechanical properties of AlMg5Si2Mn surface layers
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The impact of laser surface treatment on the microstructure, wear resistance and hardness of the AlMg5 aluminum alloy
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