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Search results for: relativistic atomic physics
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FLAME ATOMIC ABSORPTION SPECTROMETRIC DETERMINATION OF TRACE AMOUNTS OF SILVER IN RADIOLOGICAL WASTE SAMPLES AFTER SOLID PHASE EXTRACTION USING MULTI-WALLED CARBON NANO-TUBES MODIFIED BY SODIUM DODECYL SULFATE
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Application of polyethylene glycol-coated iron oxide nanoparticles for magnetic solid phase extraction of copper from seawater samples and its determination by graphite furnace atomic absorption spectrometry using response surface methodology for optimization of extraction
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Satellite Laser Ranging technique as a tool for the determination of the Schwarzschild, de Sitter and Lense-Thirring effects
PublicationSatellite Laser Ranging (SLR) is a modern technique used in various research areas and applications related to geodesy and geodynamics. It is commonly used for tasks such as establishing the International Terrestrial Reference Frame (ITRF), monitoring Earth Orientation Parameters (EOP), determining the geocenter, measuring fundamental physical constants, calibrating microwave tracking techniques, conducting time transfer experiments,...
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Synchrotron radiation photoemission spectroscopy of the oxygen modified CrCl3 surface
PublicationWe investigate the experimentally challenging CrCl3 surface by photon energy dependent photoemission (PE). The core and valence electrons after cleavage of a single crystal, either in a ultrahigh vacuum (UHV) or in air, are studied by keeping the samples at 150 1C, aiming at confirming the atomic composition with respect to the expected bulk atomic structure. A common spectroscopic denominator revealed by data is the presence of...
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Crystal structure and electronic structure of CePt2In7
PublicationWe 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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Quantum corrections to phi^4 model solutions and applications to Heisenberg chain dynamics
PublicationThe Heisenberg spin chain is considered in φ^4 model approximation. Quantum corrections to classical solutions of the one-dimensional φ^4 model within the correspondent physics are evaluated with account of rest d−1 dimensions of a d-dimensional theory. A quantization of the model is considered in terms of spacetime functional integral. The generalized zeta-function formalism is used to renormalize and evaluate the functional integral...
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Quantum corrections to 4 model solutions and applications to Heisenberg chain dynamics
PublicationThe Heisenberg spin chain is considered in φ^4 model approximation. Quantum corrections to classical solutions of the one-dimensional φ^4 model within the correspondent physics are valuated with account of rest d − 1 dimensions of a d-dimensional theory. A quantization of the model is considered in terms of space- time functional integral. The generalized zeta-function formalism is used to renormalize and evaluate the functional...
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Comment on "On accurate capacitance characterization of organic photovoltaic cells"
PublicationIn the 100th volume of Applied Physics Letters Carr and Chaudhary have presented a work on capacitance characterization of organic photovoltaic cells. The work concerns small signal measurements of various organic photovoltaic structures. The authors however limit their considerations to one part of small signal response, namely to capacitance measured either in parallel mode or in series mode. This attitude generally does not...
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Quantum Coherence as a Resource
PublicationThe coherent superposition of states, in combination with the quantization of observables, represents one of the most fundamental features that mark the departure of quantum mechanics from the classical realm. Quantum coherence in many-body systems embodies the essence of entanglement and is an essential ingredient for a plethora of physical phenomena in quantum optics, quantum information, solid state physics, and nanoscale thermodynamics....
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Beyond the helium buffer: 12C−2 rotational cooling in cold traps with H2 as a partner gas: interaction forces and quantum dynamics
Publicationabstract = { The scattering cross-sections and corresponding rate coefficients for rotationally inelastic collisions of $^{12}$C$_2$^-$ ($^2 \Sigma_g^+$) with H$_2$ ($^1 \Sigma_g^+$) are presented over a broad range of cold-trap temperatures. They have been calculated using quantum scattering theory that employs a new ab initio potential energy surface. The rate coefficients for the inelastic processes in the anionic partner are...
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From fluid mechanics backgrounds to modern field theory
PublicationOur presentation keeps a historical line of reasoning, since we start from old concepts of fluid mechanics and finish on concepts of modern field theory. We want to show that some facts from the nature phenomena, which have firstly been discovered on the ground of fluid mechanics, were next incorporated into physics and later become the important pattern for whole mathematical physics. Especially, well-known continuum models, which...
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Collision-induced luminescence spectra of pyridine bombarded by 1000 eV He+ cations
PublicationHere we show collision-induced luminescence spectra measured for collisions of the He+cations with thearomatic six-membered ring of the pyridine molecule (C5H5N). Distinct emission bands due to the CH(A2Δ→X2Πr;B2Σ+→X2Πr;C2Σ+→X2Πr), CN(B2Σ+→X2Σ+), C2(d3Πg→a3Πu), and NH(A3Π→X3Σ−) transitions, aswell as atomic H, He, and C lines have been observed. Apart from the He atoms, all the emitters arise from thefragmentation of the pyridine...
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Proton transfer reactions for ionized water clusters
PublicationCalculations of formation energies of the ionized water clusters and energies of reactions between small (including less than eight water molecules) neutral and positively ionized water clusters are presented. Moreover, we discuss some reaction paths between neutral and positively charged dimers, trimers and tetramers and proton transfer reactions (PTR) between cyclic clusters and H3O+ ions which can appear in beam experiments...
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Biomedical Engineering at Gdansk University of Technology
PublicationShort history of education in Biomedical Engineering at Gdansk University of Technology is presented. The last initiative- implementation of the new programme, Biomedical Engineering - an interfaculty direction of study, supported by a grantfinanced by the European Social Fund is presented. Curricula of four specializations: Chemistry in Medicine, run by the Facultyof Chemistry; Electronics in Medicine and Informatics in Medicine,...
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Local hidden–variable models for entangled quantum states
PublicationWhile entanglement and violation of Bell inequalities were initially thought to be equivalent quantum phenomena, we now have different examples of entangled states whose correlations can be described by local hidden-variable models and, therefore, do not violate any of the Bell inequalities. We provide an up-to-date overview of the existing literature regarding local hidden-variable models for entangled quantum states, in both...
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Charge transfer and formation of complexes in the He+ collisions with the furan molecules
PublicationCharge transfer and formation of the collision complexes have been studied experimentally in fragmentation of the furan molecules in collisions with He+ cations. The excited atomic and diatomic fragments of furan have been identified using collision-induced luminescence spectroscopy. Charge transfer ionization of the furan molecules has been observed in production of helium atoms in the excited 1s4d 1D2, 3D1,2,3 states. The fragmentation...
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Electronic structure and time-dependent description of rotational predissociation of LiH
PublicationThe adiabatic potential energy curves of the ^1Sigma+ and ^1Pi states of the LiH molecule were calculated. They correlate asymptotically to atomic states, such as 2s + 1s, 2p + 1s, 3s + 1s, 3p + 1s, 3d + 1s, 4s + 1s, 4p + 1s and 4d + 1s. A very good agreement was found between our calculated spectroscopic parameters and the experimental ones. The dynamics of the rotational predissociation process of the 1^1Pi state were studied...
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Spontaneous electron emission vs dissociation in internally hot silver dimer anions
PublicationReferring to a recent experiment, we theoretically study the 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. The ground state potential energy curves of the silver molecules of diatomic neutral and negative ion were calculated using proper pseudo-potentials and atomic basis sets. We also estimated the non-adiabatic...
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Can architecture be 11-dimensional? The nature of space in the architecture of the digital world era
PublicationThis research aims to explore the development of architectural theories about ‘architectural dimensions’ and look at architecture as a multidimensional space. It is important to understand that with today's development of virtual reality technology and through the combination of theories of physics and architecture, a new possibility of creating space has emerged. The arguments are made through inductive reasoning and grounded...
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A XAS study of a highly diluted Pt electrocatalyst operating in PEM fuel cells
PublicationWe present an X-ray absorption spectroscopy (XAS) study of a low Pt content catalyst layer(Pt loading 0.1 mg c2) operating at the cathode of a proton exchange membrane fuel cell(PEMFC). This catalyst is based on the use of a mesoporous inorganic matrix as a support forthe catalyst Pt nanoparticles. Due to the high Pt dilution, in situ measurements of itsstructural properties by XAS are challenging and suitable experimental strategies...
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Structural and mechanical properties of hydroxyapatite coatings formed by ion-beam assisted deposition
PublicationThe ion-beam assisted deposition (IBAD) is an advanced method capable of producing crystalline coatings at low temperatures. We determined the characteristics of hydroxyapatite Ca10(PO4)6(OH)2 target and coatings formed by IBAD using X-ray photoemission spectroscopy (XPS), X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM) and energy dispersive X-ray (EDX). The composition of the coatings'...
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Physical properties of homogeneous TiO2 films prepared by high power impulse magnetron sputtering as a function of crystallographic phase and nanostructure
PublicationOptical, photo-electrochemical, crystallographic and morphological properties of TiO2 thin films prepared by high power impulse magnetron sputtering at low substrate temperatures (<65 ◦C) without post-deposition thermal annealing are studied. The film composition-anatase, rutile or amorphous TiO2-is adjusted by the pressure (p ∼ 0.75-15 Pa) in the deposition chamber. The different crystallographic phases were determined with grazing...
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Experimental certification of more than one bit of quantum randomness in the two inputs and two outputs scenario
PublicationOne 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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If Gravity is Geometry, is Dark Energy just Arithmetic?
PublicationArithmetic operations (addition, subtraction, multiplication, division), as well as the calculus they imply, are non-unique. The examples of four-dimensional spaces, R^4 and (−L/2,L/2)^4, are considered where different types of arithmetic and calculus coexist simultaneously. In all the examples there exists a non-Diophantine arithmetic that makes the space globally Minkowskian, and thus the laws of physics are formulated in terms...
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Ellipsometric investigation of nitrogen doped diamond thin films grown in microwave CH4/H2/N2 plasma enhanced chemical vapor deposition
PublicationThe influence of N2 concentration (1%–8%) in CH4/H2/N2 plasma on structure and optical properties of nitrogen doped diamond (NDD) films was investigated. Thickness, roughness, and optical properties of the NDD films in the VIS–NIR range were investigated on the silicon substrates using spectroscopic ellipsometry. The samples exhibited relatively high refractive index (2.6 6 0.25 at 550 nm) and extinction coefficient (0.05 6 0.02...
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Electromodulation of photoluminescence in vacuum-evaporated films of bathocuproine
PublicationElectric field-modulated photoluminescence (EML) was measured in vacuum-evaporated films of bathocuproine (BCP), electron-transporting material commonly used in organic light-emitting diodes (OLEDs). The external electric field of 106 V/cm strength decreases long-wavelength photoluminescence (PL) up to 10% but the same effect on short-wavelength PL is above one order of magnitude smaller. The distinctive difference between the...
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Swapping Space for Time: An Alternative to Time-Domain Interferometry
PublicationYoung's double-slit experiment [1] requires two waves produced simultaneously at two different points in space. In quantum mechanics the waves correspond to a single quantum object, even as complex as a big molecule. An interference is present as long as one cannot tell for sure which slit is chosen by the object. The more we know about the path, the worse the interference. In the paper we show that quantum mechanics allows for...
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Iterative Global Sensitivity Analysis Algorithm with Neural Network Surrogate Modeling
PublicationGlobal sensitivity analysis (GSA) is a method to quantify the effect of the input parameters on outputs of physics-based systems. Performing GSA can be challenging due to the combined effect of the high computational cost of each individual physics-based model, a large number of input parameters, and the need to perform repetitive model evaluations. To reduce this cost, neural networks (NNs) are used to replace the expensive physics-based...
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YADE - An extensible framework for the interactive simulation of multiscale, multiphase, and multiphysics particulate systems
PublicationThis contribution presents the key elements of YADE, an extensible open-source framework for dynamic simulations. During the past 19 years, YADE has evolved from "Yet Another Dynamic Engine"' to a versatile multiscale and multiphysics solver, counting a large, active, and growing community of users and developers. The computationally intense parts of the source code are written in C++, using flexible object models that allow for...
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Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations
PublicationInteraction between 2, 3, 5 and 7 atomic layers of gold and a (111) silicon surface was investigated with the molecular dynamics simulation method. The simulation of the diffusion interaction between gold and silicon in the temperature range 425-925 K has been carried out. The peculiarities of the concentration changes of the interacting components and the atomic density at the boundary...
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Electronic structure and rovibrational predissociation of the 2^1Π state in KLi
PublicationAdiabatic potential energy curves of the 3^1Σ^+, 3^3Σ^+, 2^1Π and 2^3Π states correlating for large internuclear distance with the K(4s) + Li(2p) atomic asymptote were calculated. Very good agreement between the calculated and the experimental curve of the 2^1Π state allowed for a reliable description of the dissociation process through a small (∼20 cm−1 for J = 0) potential energy barrier. The barrier supports several rovibrational...
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Effect of heat treatment on the diffusion intermixing and structure of the Cu thin film on Si (111) substrate: a molecular dynamics simulation study
PublicationThis work is devoted to the study of the diffusion process at the interface between copper films with a thickness of 2, 3, 4, 7 and 10 atomic monolayers and silicon substrate by molecular dynamics simulation method. For this purpose, the variation of the concentration of copper and silicon along the perpendicular direction to the interface was investigated. An analysis of the density profile along this direction made it possible...
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Research of chitosan coatings deposited by electrophoretic deposition method at various voltage and time parameters
PublicationThe aim of this research is to estimate the electrophoretic deposition main parameters, such as voltage and time duration, that will provide optimal characteristics of the surface layer. Chitosan coatings were synthesized on biomedical Ti13Zr13Nb alloys at 20 V and 30 V and with deposit times of 2min, 5 min, 10 min, and 15 min. Evaluation of the coating was performed by using Scanning Electron Microscope (SEM), Energy-Dispersive...
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Continuum wave functions for estimating the electric dipole moment: Calculation based on a multiconfiguration Dirac-Hartree-Fock approximation
PublicationThe multiconfiguration Dirac-Hartree-Fock method is employed to calculate the continuum electron wave functions, which are then used to estimate their contribution to the atomic electric dipole moment (EDM) of 129Xe. The EDM arises from (P,T)-odd electron-nucleon tensor-pseudotensor and pseudoscalar-scalar interactions, the nuclear Schiff moment, the interaction of the electron electric dipole moment with nuclear magnetic moments,...
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Kinetics of molecular decomposition under irradiation of gold nanoparticles with nanosecond laser pulses—A 5-Bromouracil case study
PublicationABSTRACT Laser illuminated gold nanoparticles (AuNPs) efficiently absorb light and heat up the surrounding medium, leading to versatile applications ranging from plasmonic catalysis to cancer photothermal therapy. Therefore, an in-depth understanding of the thermal, optical, and electron induced reaction pathways is required. Here, the electrophilic DNA nucleobase analog 5-Bromouracil (BrU) has been used as a model compound to...
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Optimizing the computation of a parallel 3D finite difference algorithm for graphics processing units
PublicationThis paper explores the possibilities of using a graphics processing unit for complex 3D finite difference computation via MUSTA‐FORCE and WENO algorithms. We propose a novel algorithm based on the new properties of CUDA surface memory optimized for 2D spatial locality and compare it with 3D stencil computations carried out via shared memory, which is currently considered to be the best approach. A case study was performed for...
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Electron impact fragmentation of pyrrole molecules studied by fluorescence emission spectroscopy
PublicationThe fluorescence emission spectroscopy using electron impact excitation technique was employed to study fragmentation processes of the gas phase pyrrole molecules. The following excited fragmentation species were observed by detection of their fluorescence decay: the atomic hydrogen H(n), n = 4-7 and the diatomic CH(A2Δ), CN(B2Σ+), NH(A3Π) and C2(d3Πg) fragments. These atomic and molecular products differ from those previously...
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Application of multisine nanoscale impedance microscopy to heterogeneous alloy surface investigations
PublicationIn the recent years atomic force microscopy is recognized as valuable tool for investigation of surficial features of construction materials. It concerns, among other things, studies of changes caused by such phenomena as galvanic corrosion, passivation associated with the growth of oxide layers, or sensitization of austenitic steels with the formation of carbide phases. In addition, atomic forcemicroscopy allows easy coupling...
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Rzadka reprezentacja sygnału niestacjonarnego w technice oszczędnego próbkowania
PublicationPrzedstawiono zastosowanie techniki oszczędnego próbkowania do rekonstrukcji sygnału niestacjonarnego na podstawie skompresowanych próbek w dziedzinie czas-częstotliwość. Zastosowano nadmiarowy algorytm z różnymi słownikami aby znaleźć rzadką reprezentację sygnału. Wyniki symulacji potwierdzają, że zastosowanie oszczędnego próbkowania pozwala na rekonstrukcję sygnału niestacjonarnego z małej liczby losowo pobranych próbek, z niewielką...
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Electron attachment to representative cations composing ionic liquids
PublicationUsing ab initio electronic structure methods with flexible atomic orbital basis sets, we investigated the electronic structure and stability of reduction products of selected representative cations (C+) constituting ionic liquids. We found that an electron attachment to such cations leads to the neutral radicals, whereas a subsequent attachment of another (i.e., excess) electron leads to adiabatically stable anions only in two...
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Ho2Pd1.3Ge2.7 – a ternary AlB2-type cluster glass system
PublicationWe report a successful synthesis of a ternary AlB2-type intermetallic compound. The phase purity was obtained by fine-tuning the Pd-Ge ratio out of the idealized 1-3. Attempts to synthesize an Er analogue were not successful. We discuss the instability of the Er analogue based on the atomic size ratio and also suggest that the increased stability of Ho2Pd1+xGe3−x in the Pd-rich range likely stems from a combination of atomic size...
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The ONETEP linear-scaling density functional theory program
PublicationWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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Phase Transition in a Sequence-Structure Channel
PublicationWe study an interesting channel which maps binary sequences to self-avoiding walks in the two-dimensional grid, inspired by a model of protein folding from statistical physics. The channel is characterized by a Boltzmann/Gibbs distribution with a free parameter corresponding to temperature. We estimate the conditional entropy between the input sequence and the output fold, giving an upper bound which exhibits an unusual phase transition...
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Impedance evaluation of coatings from biobased material
PublicationThe authors propose a modification of sodium caseinate edible coating for foodstuff protection. The aim was to improve the film’s barrier properties. It was achieved by the addition of propolis, which is a natural, environmentally friendly product known from its intrinsic sealing action. In the next step, propolis-admixed sodium caseinate films were exposed to elevated temperature for 10 min. This approach was meant to improve...
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Analytical chemistry in technical approaches: immobilization of biosorbent waste containing heavy metals in cemented materials
PublicationAn ecologically safe and economically justified method of stabilization of the used biosorbents was developed. Sorbent contaminated with heavy metals has been successfully solidified/stabilized using a hydraulic binder. The test results indicated that up to 1% of the biosorbent residue used could be added without compromising the compressive strength of the mortar. The compressive strength of the modified mortars did not change...
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Crystallization of space: Space-time fractals from fractal arithmetic
PublicationFractals such as the Cantor set can be equipped with intrinsic arithmetic operations (addition, subtraction, multiplication, division) that map the fractal into itself. The arithmetics allows one to define calculus and algebra intrinsic to the fractal in question, and one can formulate classical and quantum physics within the fractal set. In particular, fractals in space-time can be generated by means of homogeneous spaces associated...
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The Dynamical Projectors Method Hydro and Electrodynamics
PublicationThe dynamical projectors method proves to reduce a multicomponent problem to the simplest one-component problem with its solution determined by specific initial or boundary conditions. Its universality and application in many different physical problems make it particularly useful in hydrodynamics, electrodynamics, plasma physics, and boundary layer problems. A great variety of underlying mechanisms are included making this book...
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Evolution of chemotaxis in single-cell artificial organisms
PublicationThe model of a liquid two-dimensional environment, which is based on physics of diffusion, allows us to simulate the diffusion of morphogenes. Artificial organisms move using a chemotaxis reacting to concentration difference. Organisms are controlled by a gene regulatory network coded in a linear genome and reproduce by division. We made a lot of experiments presenting organisms’ behaviour in various environment conditions. We...
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Performance of organic coatings upon cyclic mechanical load
PublicationA number of engineering structures fail due to the fatigue damage resulting from cyclic mechanical stress. However, as far as organic coatings are concerned this degradation factor remains underestimated. In the paper the authors propose a methodology combining global electrochemical impedance spectroscopy and local atomic force microscopy measurements for evaluation of coating resistance to an impact of repetitive mechanical stress. Typical...
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Homoclinic and Heteroclinic Orbits for a Class of Singular Planar Newtonian Systems
PublicationThe study of existence and multiplicity of solutions of differential equations possessing a variational nature is a problem of great meaning since most of them derives from mechanics and physics. In particular, this relates to Hamiltonian systems including Newtonian ones. During the past thirty years there has been a great deal of progress in the use of variational methods to find periodic, homoclinic and heteroclinic solutions...