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Wyniki wyszukiwania dla: Atomic Force Microscope
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The Mesoporous Porphyrinic Zirconium Metal-Organic Framework for Pipette-Tip Solid-Phase Extraction of Mercury from Fish Samples Followed by Cold Vapor Atomic Absorption Spectrometric Determination
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Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. IV. Pairs of Different Hydrophobic Side Chains
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Implementation of Molecular Dynamics and Its Extensions with the Coarse-Grained UNRES Force Field on Massively Parallel Systems: Toward Millisecond-Scale Simulations of Protein Structure, Dynamics, and Thermodynamics
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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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Magnetizabilities of relativistic hydrogenlike atoms in some arbitrary discrete energy eigenstates
PublikacjaWe present the results of numerical calculations of magnetizability of the relativistic hydrogenlike atoms. Exploiting the analytical formula for $\chi$ we have found the values of the magnetizability for the ground state and for the first and the second set of excited states of the atom. The results for ions with the atomic number $0
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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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Nuclear magnetic shielding constants of Dirac one-electron atoms in some low-lying discrete energy eigenstates
PublikacjaWe present tabulated data for the nuclear magnetic shielding constants (σ) of the Dirac one-electron atoms with a pointlike, motionless and spinless nucleus of charge Ze. Utilizing the exact general analytical formula for σ derived by us (Stefańska, 2016) valid for an arbitrary discrete energy eigenstate, we have computed the numerical values of the magnetic shielding factors for the ground state and for the first and the second...
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Low to intermediate energy elastic electron scattering from dichloromethane (CH2Cl2)
PublikacjaWe report a theoretical-experimental investigation of electron scattering by dichloromethane (CH2Cl2) in the low- and intermediate energy ranges. Experimental elastic differential cross sections (DCS), in the incident electron energy range of 0.5-800 eV and scattering angle range of 10°–130°, were measured using a crossed beam relative flow technique. Integral and momentum- transfer cross sections were determined from the experimental...
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Potential energy curves, transition and permanent dipole moments of KRb
PublikacjaWe present extensive calculations of 48 adiabatic potential energy curves of the KRb molecule. Efforts have been focused on preparing the appropriate basis sets. Compared to previous approaches, the set of new potential energy curves is extended to higher excitations, including the single-excited K(4s2S)+Rb(5d2D) and double-excited K(4p2P)+Rb(5p2P) atomic limits. Larger distances between nuclei are also taken into account. New...
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Superexcited states in the vacuum-ultraviolet photofragmentation of isoxazole molecules
PublikacjaThe photofragmentation of isoxazole molecules producing excited atomic and molecular fragments has been investigated over the energy range 16-50 eV, using photon-induced fluorescence spectroscopy. The following fragments have been identified by their fluorescence: the excited hydrogen atoms H(n), n = 3-7 and the diatomic CH(A2Δ, B2Σ−), CN(B2Σ+) and C2(d3Πg) fragments. The diatomic fragments are vibrationally and highly rotationally...
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The Effect of Long Term Service at Elevated Temperatures on Microstructure Degradation of Austenitic Reformer Tubes
PublikacjaThe paper analyses the relationship between an increase of the inner diameter of tubes made of Manaurite XM cast steel and transformations occurring in their microstructure due to long-lasting operation in methane reformer. Examinations included metallographic analysis with light microscope (LM), scanning electron microscope (SEM) and microanalysis of the chemical composition of precipitates (EDX). It was indicated that there is...
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Static electric and magnetic multipole susceptibilities for Dirac one-electron atoms in the ground state
PublikacjaWe present tabulated data for several families of static electric and magnetic multipole susceptibilities for hydrogenic atoms with nuclear charge numbers from the range $1\leq Z\leq137$. Atomic nuclei are assumed to be point-like and spinless. The susceptibilities considered include the multipole electric polarizabilities $\alpha_{\mathrm{E}L\to\mathrm{E}L}$ and magnetizabilities (magnetic susceptibilities) $\chi_{\mathrm{M}L\to\mathrm{M}L}$...
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Determination of Failure Causes of a Steam Turbine Casing
PublikacjaThe paper presents results of research and failure analysis undertaken to determine failure causes of a steam turbine casing. After 130,000 hours of service the crack in a outer shell of the turbine casing was found. The inner shell of the casing was made of cast steel grade G21CrMoV5-7, and the outer shell of grade G20CrMo4-5. Following research were performed in order to determine causes of the casing failure: chemical analysis;...
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Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations
PublikacjaInteraction 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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Effect of microstructure on mechanical properties of BA1055 bronze castings
PublikacjaThe article presents research results performed on aluminum bronze CuAl10Fe5Ni5 (BA1032) castings used for marine propellers. Metallographic studies were made on light microscope and a scanning electron microscope to assess quantitatively and qualitatively the alloy microstructure. It has been shown that the shape, size and distribution of the iron-rich phase precipitates in bronze microstructure significantly affect its mechanical...
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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
PublikacjaThis 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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The Creation of an Antimicrobial Coating on Contact Lenses by The Use of Nanocopper
PublikacjaThe aim of the research was to creation an antimicrobial coating on contact lens and examine the ability of copper nanoparticles to decrease microbial adhesion and prevent the growth of bacteria. The creation was based on the immersion method in solution with dispersed nanoparticles of copper at concentration 200 pm. There were evaluated follows factors: time of immersion and base to dispersed nanoparticles. Three solutions: ethyl...
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Continuum wave functions for estimating the electric dipole moment: Calculation based on a multiconfiguration Dirac-Hartree-Fock approximation
PublikacjaThe 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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Failure of austenitic stainless steel tubes during steam generator operation
PublikacjaThe article presents the failure process of austenitic stainless steels used in power devices, such as heat exchangers, steam generators, in terms of local corrosion: pitting, stress and intergranular corrosion, paying particular attention to welded joints area. The effect of steel chemical composition, microstructure, welding process and work environment was analyzed. The second part of the article presents the results of the...
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Synthesis of reduced graphene oxide nanosheets using nanofibers from methane and biogas thermal decomposition with various catalysts
PublikacjaReduced graphene oxide and graphene oxide (rGO, GO) were synthesised from carbon nanofibers, which were formed in catalytic thermal decomposition of methane (CDM) and biogas with different catalysts used in the process. The aim of the work was valorization of CDM carbon nanofiber products. The samples were characterized using Raman spectra, a scanning electron microscope and a transmission electron microscope. As a result, we observe...
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Quasirelativistic potential energy curves and transition dipole moments of NaRb
PublikacjaWe report on extensive calculations of quasi-relativistic potential energy curves and, for the first time, transition dipole moments including spin-orbit and scalar-relativistic effects of the NaRb molecule. The calculated curves of the 0+, 0-, 1, 2 and 3 molecular states correlate for large internuclear separation with the fourteen lowest atomic energies up to the Na(3s ^2S_{1/2}) + Rb(7s ^2S_{1/2}) atomic limit. Several new features...
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Electron impact fragmentation of pyrrole molecules studied by fluorescence emission spectroscopy
PublikacjaThe 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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Influence of Spatial Structures of 316L Stainless Steel on Its Cavitation Erosion Resistance
PublikacjaCavitation erosion performance of modified macroscopic internal structure 316L stainless steel was investigated. The samples processed by means of SLM method were subjected to cavitation erosion test. The scanning electron microscope Philips 30/ESEM was used to examine morphology of eroded surface.
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Physics-Based Coarse-Grained Modeling in Bio- and Nanochemistry
PublikacjaCoarse-grained approaches, in which groups of atoms are represented by single interaction sites, are very important in biological and materials sciences because they enable us to cover the size- and time-scales by several orders of magnitude larger than those available all-atom simulations, while largely keeping the details of the systems studied. The coarse-grained approaches differ by the scheme of reduction and by the origin...
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Rzadka reprezentacja sygnału niestacjonarnego w technice oszczędnego próbkowania
PublikacjaPrzedstawiono 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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Ho2Pd1.3Ge2.7 – a ternary AlB2-type cluster glass system
PublikacjaWe 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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Combined numerical and experimental approach to determine numerical model of abdominal scaffold
PublikacjaA proper junction of the prosthesis and the abdominal wall is important in successful hernia repair. The number of tacks should be balanced to assure appropriate mesh fixation and not to induce post-operative pain. Numerical simulations help to find this balance. The study is aimed at creating a proper numerical model of a knitted surgical mesh subjected to boundary conditions and load occurring in the abdominal cavity. Continuous,...
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Analytical chemistry in technical approaches: immobilization of biosorbent waste containing heavy metals in cemented materials
PublikacjaAn 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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EXPERIMENTAL AND NUMERICAL INVESTIGATIONS OF CONCRETE BEHAVIOUR AT MESO-LEVEL DURING QUASI-STATIC SPLITTING TENSION
PublikacjaThe paper describes experimental and numerical results of quasi-static splitting tensile tests on concrete specimens at meso-scale level. The loading strip was made of plywood or steel. Fracture in concrete was detected at the aggregate level by means of three non-destructive methods: 3D x-ray micro-computed tomography, 2D scanning electron microscope and manual 2D digital microscope. The discrete element method was used to directly...
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Closed-form expression for the magnetic shielding constant of the relativistic hydrogenlike atom in an arbitrary discrete energy eigenstate: Application of the Sturmian expansion of the generalized Dirac–Coulomb Green function
PublikacjaWe present analytical derivation of the closed-form expression for the dipole magnetic shielding constant of a Dirac one-electron atom being in an arbitrary discrete energy eigenstate. The external magnetic field, by which the atomic state is perturbed, is assumed to be weak, uniform, and time independent. With respect to the atomic nucleus we assume that it is pointlike, spinless, motionless, and of charge Ze. Calculations are...
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Extended duration running and impulse loading characteristics of an acoustic bearing with enhanced geometry
PublikacjaThis paper presents performance during prolonged running of the acoustic bearing when PZTs are switched off and when they are switched on. The effect of active PZT on shaft’s displacements in X and Y directions is clearly demonstrated. Performance of the acoustic bearing was also assessed when an impulse force was applied to the running shaft at speed. Once again the benefits of having PZTs active are beyond doubt. The instability...
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Jednoelektronowy atom Diraca w słabym polu magnetycznym
PublikacjaW rozprawie przedstawiono opis wpływu zewnętrznego stałego, słabego, jednorodnego pola magnetycznego na jednoelektronowy atom Diraca. Wykorzystując funkcje gęstości ładunku elektrycznego oraz gęstości prądu elektrycznego, rozważono procesy indukowania się w atomie dodatkowych elektromagnetycznych momentów multipolowych. Dokonano analizy indukowanego momentu dipolowego, w wyniku której uzyskano wyrażenie dla magnetyzowalności atomu....
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Synchrotron radiation photoemission spectroscopy of the oxygen modified CrCl3 surface
PublikacjaWe 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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Wpływ strat mechanicznych w siłowniku teleskopowym zespołu zagęszczającego w pojeździe do usuwania odpadów z pojemników na skuteczność prasowania odpadów
PublikacjaHydraulic telescopic cylinders are used to power the moving wall of rear loader garbage trucks equipped with the traditional "sweep and slide" system. As the garbage compression force is directly dependent on the resistance force of the moving wall, losses in the hydraulic telescopic cylinder influence the compaction process. Taking them into account in the control system may improve the operation of the compaction...
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Comparison of PM10 concentration in Gdansk and London using electron microscopy
PublikacjaParticulate matter (PM) has been considered as one of the most dangerous elements of air pollution. Multiply analytical methods are employed to identify the composition of particles present in the air. The theoretical part of this work is a description of different research centres all over the world where particulate matter is being analyzed using various techniques. The purpose of this project is to analyze and compare particles...
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Nanotubular Oxide Layer Formed on Helix Surfaces of Dental Screw Implants
PublikacjaSurface modification is used to extend the life of implants. To increase the corrosion resistance and improve the biocompatibility of metal implant materials, oxidation of the Ti-13Nb- 13Zr titanium alloy was used. The samples used for the research had the shape of a helix with a metric thread, with their geometry imitating a dental implant. The oxide layer was produced by a standard electrochemical method in an environment of...
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Discrete element method simulations of fracture in concrete under uniaxial compression based on its real internal structure
PublikacjaThe paper describes experimental and numerical results of concrete fracture under quasi-static uniaxial compression. Experimental uniaxial compression tests were performed on concrete cubic specimens. Fracture in concrete was detected at the aggregate level by means of three non-destructive methods: three-dimensional X-ray microcomputed tomography, two-dimensional scanning electron microscope and manual two-dimensional digital...
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The significance of the properties of water for the working cycle of the kinesin molecular motor
PublikacjaExplicit solvent molecular dynamics simulations were performed in this study to investigate and discuss several aspects of the influence of the properties of water on the working cycle of a molecular motor from the kinesin superfamily. The main objects of attention were: the binding of the neck linker and the association of the kinesin and the tubulin. The docking of the neck linker is considered a crucial event during the working...
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Relativistic two-dimensional hydrogen-like atom in a weak magnetic field
PublikacjaA two-dimensional (2D) hydrogen-like atom with a relativistic Dirac electron, placed in a weak, static, uniform magnetic field perpendicular to the atomic plane, is considered. Closed forms of the first- and second-order Zeeman corrections to energy levels are calculated analytically, within the framework of the Rayleigh–Schrödinger perturbation theory, for an arbitrary electronic bound state. The second-order calculations are...
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High-Temperature Tensile Behaviour of GTAW Joints of P92 Steel and Alloy 617 for Two Different Fillers
PublikacjaThis study explores the high-temperature (HT) tensile rupture characteristics of a dissimilar gas-tungsten-arc-welded (GTAW) joint between P92 steel and Alloy 617, fabricated using ER62SB9 and ERNiCrCoMo-1 fillers. The high-temperature tensile tests were performed at elevated temperatures of 550 ◦C and 650 ◦C. An optical microscope (OM) and a field emission scanning electron microscope (FESEM) were utilized to characterize the...
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Analysis of the Surface Stereometry of Alloyed Austenitic Steel after Fibre Laser Cutting using Confocal Microscopy
PublikacjaThe paper extends the concept of cut edge quality and examines the fibre laser cutting process. A Prima Power Platino Fiber Evo device with a reference speed (RS) of 3500 mm/min was used for laser cutting. In order to analyse the influence of the laser cutting speed on the cut edge quality of X5CrNi18-10 stainless steel sheets, macroscopic studies were conducted on a stereoscopic microscope and surface stereometry on a confocal...
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Właściwości złączy różnoimiennych stopu niklu Incoloy 800H ze stalą odporną na korozję 316L
PublikacjaW artykule przedstawiono problemy związane z wykonywaniem połączeń różnoimiennych typu Incoloy 800HT – austenityczna stal odporna na korozję 316L. Wykonano badania nieniszczące oraz niszczące, których wyniki pozwoliły na weryfikacje jakości wykonanych złączy próbnych. Nie stwierdzono występowania niezgodności spawalniczych oraz uzyskano wysokie właściwości wytrzymałościowe złączy. Badania metalograficzne ujawniły poprawne struktury...
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Determination of Local Corrosion Current from Individual Harmonic Components
PublikacjaHarmonic analysis has been used in corrosion measurements for several decades. During this period the method has been refined and developed. Nevertheless, the technique has not been applied to properties determination in local scale yet. This paper is focused on local corrosion current measurements based on harmonic analysis. For this purpose, a non-linear nature of electrode processes is used and measured in local scale applying...
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Stability of truss with side - supports. The case of linear and rotational elastic supports
PublikacjaThe research is devoted to study lateral buckling of truss with linear and rotational elastic side-supports. Geometrically nonlinear analysis of example truss with linear and rotational elastic sidesupports is carried out. The limit normal force in compressed chord of the truss due to stiffness of side supports is calculated. The elastic support reaction in relation to force in compressed chordand coefficient of buckling length...
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Lattice-commensurate skyrmion texture in a centrosymmetric breathing kagome magnet
PublikacjaSkyrmion lattices (SkL) in centrosymmetric materials typically have a magnetic period on the nanometer-scale, so that the coupling between magnetic superstructures and the underlying crystal lattice cannot be neglected. We reveal the commensurate locking of a SkL to the atomic lattice in Gd3Ru4Al12 via high-resolution resonant elastic x-ray scattering (REXS). Weak easy-plane magnetic anisotropy, demonstrated here by a combination...
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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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Theoretical calculation of the physico-chemical properties of 1-butyl-4-methylpyridinium based ionic liquids
PublikacjaACCEPTED MAIonic liquids (ILs) have attracted much attention for their unique physicochemical properties, which can be designed as needed by altering the ion combinations. Besides experimental work, numerous computational studies have been concerned with prediction of physical properties of ILs. The results of molecular dynamics simulations of ILs depend strongly on the proper force field parameterization. Classical force fields...
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Impact damage in SiO2 nanoparticle enhanced epoxy – Carbon fibre composites
PublikacjaLow velocity impact behaviour of nano-SiO2 enhanced carbon fibre/epoxy composites for naval applications is reported. Epoxy resin matrix was enhanced by 1- 8 wt% SiO2 nanoparticles, based on industrial surface-modified nanosilica. Impact parameters: force, deformation, energy, damage size were recorded. The most pronounced effect was damage size decrease; e.g. ∼28% recorded by infrared thermography and X-ray computed radiography...
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Molecular Dynamics to Predict Cryo-EM: Capturing Transitions and Short-Lived Conformational States of Biomolecules
PublikacjaSingle-particle cryogenic electron microscopy (cryo-EM) has revolutionized the field of the structural biology, providing an access to the atomic resolution structures of large biomolecular complexes in their near-native environment. Today’s cryo-EM maps can frequently reach the atomic-level resolution, while often containing a range of resolutions, with conformationally variable regions obtained at 6 Å or worse. Low resolution...
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Application of dynamic impedance spectroscopy to scanning probe microscopy.
PublikacjaDynamic impedance spectroscopy, designed for measuring nonstationary systems, was used in combination with scanning probe microscopy. Using this approach, impedance mapping could be carried-out simultaneously with topography scanning. Therefore, correlation of electrical properties with particular phases of an examined sample was possible. The sample used in this study was spheroidal graphite cast iron with clearly defined phases...