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Search results for: Atomic Force Microscope
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Potential of novel atomic emission techniques as a tool for investigation of the possibilities of using industrial waste as additives in construction materials
PublicationNowadays, due to the global ecological crisis and ways to prevent a climate disaster, more and more attention is paid to green techno-logies and green Chemistry, which are part of the so-called “The Green Deal.” The main assumption is the optimization of the processes of producing necessary goods and the implementation of methods of managing postproduction waste in the least environmentally harmful manner. In the presented research,...
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Nonlinear planar modeling of massive taut strings travelled by a force-driven point-mass
PublicationThe planar response of horizontal massive taut strings, travelled by a heavy point-mass, either driven by an assigned force, or moving with an assigned law, is studied. A kinematically exact model is derived for the free boundary problem via a variational approach, accounting for the singularity in the slope of the deflected string. Reactive forces exchanged between the point-mass and the string are taken into account via Lagrange...
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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment
PublicationThe UNited RESidue (UNRES) force field was tested in the 14th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP14), in which larger oligomeric and multimeric targets were present compared to previous editions. Three prediction modes were tested (i) ab initio (the UNRES group), (ii) contact-assisted (the UNRES- contact group), and (iii) template-assisted (the UNRES-template...
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Determination of Peak Impact Force for Buildings Exposed to Structural Pounding during Earthquakes
PublicationStructural pounding between adjacent, insufficiently separated buildings, or bridge segments, has been repeatedly observed during seismic excitations. Such earthquake-induced collisions may cause severe structural damage or even lead to the collapse of colliding structures. The aim of the present paper was to show the results of the study focused on determination of peak impact forces during collisions between buildings exposed...
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Atomic-Scale Finite-Element Modeling of Elastic Mechanical Anisotropy in Finite-Sized Strained Phosphorene Nanoribbons
PublicationNanoribbons are crucial nanostructures due to their superior mechanical and electrical properties. This paper is devoted to hybrid studies of the elastic mechanical anisotropy of phosphorene nanoribbons whose edges connect the terminals of devices such as bridges. Fundamental mechanical properties, including Young’s modulus, Poisson’s ratio, and density, were estimated from first-principles calculations for 1-layer, 3-layer, and...
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Standing Waves in One-Dimensional Resonator Contaning an Ideal Isothermal Gas Affected by the Constant Mass Force
PublicationThe study is devoted to standing acoustic waves in one-dimensional planar resonator which containing an ideal gas. A gas is affected by the constant mass force. Two types of physically justified boundary conditions are considered: zero velocity or zero excess pressure at both boundaries. The variety of nodal and antinodal points is determined. The conclusion is that the nodes of pressure and antinodes of velocity do not longer...
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Problem of proper decomposition and initialization of acoustic and entropy modes in a gas affected by the mass force
PublicationThe relations connecting perturbations specific for acoustic and entropy modes in an accelerated fluid or in a fluid affected by constant mass force, are derived. They allow to decompose the total vector of perturbations and the overall energy into acoustic and non-acoustic parts uniquely at any instant. In order to do this, three quantities are required, for example total perturbations in entropy, pressure and velocity. The evaluations...
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Decomposition of Acoustic and Entropy Modes in a Non-Isothermal Gas Affected by a Mass Force
PublicationDiagnostics and decomposition of atmospheric disturbances in a planar flow are considered in this work. The study examines a situation in which the stationary equilibrium temperature of a gas may depend on the vertical coordinate due to external forces. The relations connecting perturbations are analytically established. These perturbations specify acoustic and entropy modes in an arbitrary stratified gas affected by a constant...
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Ab initioheat capacity and atomic temperature factors of chalcopyrites
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Defect-induced conductance oscillations in short atomic chains
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Atomic substitution and carbon isotope effect in superconducting MgCNi3
PublicationW pracy analizowany jest wpływ domieszkowania zarówno pozycji niklu, jak i węgla w nadprzewodzącym związku międzymetalicznym MgCNi3. Dodatkowo dyskutowany jest węglowy nadprzewodzący efekt izotopowy.
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Extension of the Force Matching Method to Anisotropic Coarse-Grained Transferable Force Fields: Application to the Unres Model of Proteins
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Relieving the Measuring System of the Trailer for Tyre/Road Rolling Resistance Measurements from the Inertia Force
PublicationIn the article the principle of measuring of tyre/road rolling resistance tyres in road conditions applied in a special measuring trailer is presented. This trailer was built in Faculty of Mechanical Engineering at Gdansk University of Technology. The construction of two special devices used in this trailer was discussed. These devices eliminate the influence of some chosen confounding measurements factors such as: the inertia...
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Parametric method applicable in calculating breakout force and time for lifting axisymmetric objects from seabed.
PublicationThe issue of calculating parameters for lifting objects of axisymmetric shapes from the seabed is studied. The article presents the results of numerical simulation examination of the equation formulated by Foda for the force needed to extricate the object from the seabed depending on soil and water parameters, extrication speed, and object diameter. The simulations were performed within the range of parameters characteristic for...
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Titania Nanotubes/Hydroxyapatite Nanocomposites Produced with the Use of the Atomic Layer Deposition Technique: Estimation of Bioactivity and Nanomechanical Properties
PublicationTitanium dioxide nanotubes/hydroxyapatite nanocomposites were produced on a titanium alloy (Ti6Al4V/TNT/HA) and studied as a biocompatible coating for an implant surface modification. As a novel approach for this type of nanocomposite fabrication, the atomic layer deposition (ALD) method with an extremely low number of cycles was used to enrich titania nanotubes (TNT) with a very thin hydroxyapatite coating. X-ray diffraction (XRD)...
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Salt saturated single drop microextraction of gold from water samples and its determination by graphite furnace atomic absorption spectrometry
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A Maximum-Likelihood Approach to Force-Field Calibration
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41st European Group for Atomic Systems Conference Book of Abstracts
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Building federation of digital libraries basing on concept of atomic services
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Analysis of the image force effects on the recombination at the donor-acceptor interface in organic bulk heterojunction solar cells
PublicationWe consider the influence of image force effects on the recombination at the donor-acceptor interface in organic bulk heterojunction solar cells. The conclusion is that the charge carriers of one sign located in the material with lower permittivity recombine at the boundary between donor and acceptor phases. This process competes with the recombination of opposite sign charge carriers, leading to the reduction of the Langevin-type...
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublicationWe present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...
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Force transfer and stress distribution in short cantilever deep beams loaded throughout the depth with a various reinforcement
PublicationDeep beams used as the main reinforced concrete structural elements which taking over the load and stiffening construction are often found in high-rise buildings. The architecture of these buildings is sometimes sophisticated and varied, arouse the admiration of the majority of recipients, and thus causing an engineering challenge to correctly design the structural system and force transfer. In such structures is important to shape...
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Spectral reflectance modeling of ZnO layers made with Atomic Layer Deposition for application in optical fiber Fabry-Perot interferometric sensors
PublicationSuitability of zinc oxide (ZnO) layers grown using Atomic Layer Deposition for operation in optical-fiber extrinsic Fabry-Perot sensors is investigated using a numerical model. Reflectance spectra obtained using the developed model indicate that the application of these layers in optical-fiber extrinsic Fabry-Perot sensors is difficult as it may require a source whose spectrum width is about 300 nm. A series of ZnO layers grown...
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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...
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ECONOMIC GROWTH AND FEMALE LABOR FORCE PARTICIPATION – VERIFYING THE U-FEMINIZATION HYPOTHESIS. NEW EVIDENCE FOR 162 COUNTRIES OVER THE PERIOD 1990-2012.
PublicationThe paper contributes by providing new insights into relationship between female labor force and economic growth in 162 world countries over the period 1990-2012. It is anticipated uncovering U-shaped relationship between female labor force participation and economic growth. The analysis is run in two different perspectives – first the relationship is examined for sample encompassing 162 countries; and second – the evidence is...
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The protein folding problem: global optimization of force fields
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Simulation of Force Spectroscopy Experiments on Galacturonic Acid Oligomers
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Decomposition of the wall force acting on the single bubble motion.
PublicationW referacie skupiono uwagę na rozkładzie siły hydrodynamicznej działającej na kulę (uproszczony model pęcherzyka) na kierunku prostopadłym do ścianki kanału. Pokazano stanowisko badawcze, omówiono procedurę pomiarową oraz zamiszczono przykładowe wyniki badań eksperymentalnych i modelowania matematycznego.
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Pounding force response spectrum under earthquake excitation
PublicationW artykule przedstawiono możliwość wykorzystania spektrum siły zderzenia jako zaproponowanego przez autora narzędzia pomocnego przy projektowaniu budynków narażonych na zderzenia podczas trzęsień ziemi. Przedstawione wykresy spektrów pokazały, iż właściwy dobór parametrów budowli, takich jak szerokość przerwy pomiędzy budynkami, okres drgań własnych konstrukcji, liczba tłumienia, masa, współczynnik ciągliwości, czy też przesunięcie...
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Advances in assessing the elemental composition of distilled spirits using atomic spectrometry
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Extension of the force-matching method to coarse-grained models with axially symmetric sites to produce transferable force fields: Application to the UNRES model of proteins
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Multimodal Imaging Using Raman Spectroscopy and FTIR in a Single Analytical Instrument with a Microscope (Infrared Raman Microscopy AIRsight, Shimadzu): Opportunities and Applications
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Numerical modeling of force and contact networks in fragmented sea ice
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Potential of Mean Force of Hydrophobic Association: Dependence on Solute Size
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Shape and force control of cable structures with minimal actuators and actuation
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Simulations of impact force spectrum for earthquake-induced structural pounding.
PublicationCelem artykułu jest analiza możliwości zastosowanie tzw. spektrum siły zderzenia przy projektowaniu sąsiadujących ze sobą konstrukcji budowlanych na terenach sejsmicznych, w przypadku zbyt małej przerwy dylatacyjnej między nimi. W artykule przedstawiono wyniki symulacji numerycznych przeprowadzonych dla różnych wartości parametrów dynamicznych konstrukcji.
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Peak impact force for seismic retrofit of pounding-prone structures
PublicationCelem artykułu jest wykorzystanie dwuwymiarowych wykresów pokazujących wartość maksymalnej siły zderzenia (spektrów odpowiedzi) do wzmacniania odporności sejsmicznej budowli narażonych na zderzanie się podczas trzęsień ziemi. Wyniki analizy wskazują, iż wykresy takie mogą być bardzo przydatnym narzędziem przy podejmowaniu decyzji dotyczącej wyboru metody wzmacniania.
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Acoustic radiation force and streaming caused by non periodic acousticsource.
PublicationTeoria i obliczenia numeryczne przepływu rotacyjnego (''streamingu'') towarzyszącemu fali akustycznej w przepływach lepkich nieliniowych. Fala wywołująca może być nieokresowa: impulsowa lub paczka falowa itd. Przykład pojedynczego pulsu rozpatrywany. Ilustracje delikatnej struktury czasowej powstania fal rotacyjnych przedstawione na rysunkach.
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Measurement of transverse force with polarization-maintaining side-hole fibers.
PublicationW pracy badano możliwości wykorzystania przenoszących stan polaryzacji światłowodów typu Side-Hole do pomiaru siły działającej prostopadle do osi symetrii światłowodu. Na podstawie wyników modelowania stwierdzono, ze niektóre światłowody tego typu charakteryzują się większą czułością aniżeli standardowe światłowody przenoszące stan polaryzacji. W wyniku przeprowadzonych pomiarów potwierdzono wyniki modelowania.
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Synthetic jet actuator efficiency based on the reaction force measurement
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Superconducting state in the atomic metallic hydrogen just above the pressure of the molecular dissociation
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Recent achievements in element analysis of bee honeys by atomic and mass spectrometry methods
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Local atomic order in low Pt-content nanocatalysts investigated in situ by XAS
PublicationThe unique features of X-ray absorption spectroscopy allow investigations of nanosized catalysts for fuel cells under working conditions. We present the results of an experiment carried out on a low Pt content electrocatalyst supported by a mesoporous heteropolyacid salt and used at the cathode of a proton exchange membrane fuel cell (PEMFC). The analysis of the EXAFS signal at the Pt L3-edge indicates that upon operating the fuel...
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Optimization of white light interferometric temperature sensor. Workshop on Atomic and Molecular Physics.
PublicationW artykule przedstawiono metodę optymalizacji parametrów niskokoherencyjnego interferometrycznego czujnika temperatury wykorzystującego miniaturowy interferometr Farby Perota, pracujący w modzie odbiciowym.
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Raman and infrared investigation of ferroelectric ceramics. IV Workshop on Atomic and Molecular Physics.
PublicationZastosowano spektroskopię absorbcyjną w podczerwieni i spektroskopię Ramana do badania ceramik ferroelektrycznych o kompozycji Ba(Ti1-xZrx)O3. Ceramiki te charakteryzują się możliwością przestrajania przenikalności elektrycznej za pomocą pola elektrycznego.
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State selective electron capture in the collision of S3+ ions in atomic hydrogen and helium.
PublicationZostało zaprezentowane teoretyczne podejście, uwzględniające obliczenia krytycznych adiabatycznych energii potencjalnych i dynamicznych sprzężeń pomiędzy nimi, do opisu procesu przechwytu elektronu przez jony siarki w zderzeniach z atomami wodoru i helu.
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Evaluation of the potential of Microwave Plasma–Atomic Emission Spectrometry for trace elements leaching assessment from the concrete matrix with sewage sludge ash additives
PublicationThe management of ash generated during the thermal utilization of sewage sludge is a significant environmental problem requiring an effective technological solution. One alternative way to dispose of sewage sludge is to bind it in concrete as a substitute for part of the aggregate. The properties of the C-S-H phase enable effective immobilization of harmful substances that sewage sludge contains. The amount of individual compounds...
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Evaluation of mercury content in combustible tobacco products by employing cold vapor atomic absorption spectroscopy and considering the moisture content: a comprehensive study
PublicationPlants are mainly made up of water, which constitutes between 80 and 90% of their weight. Moisture factor comes across as one of the most important in tobacco products. Rapid determination of moisture content in tobacco products comes at neces- sity in any tobacco management plants (before and after production). Therefore, the concern has been raised in this study to evaluate the moisture content in four kinds of combustible tobacco...
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Different Aspects of the Elemental Analysis of Honey by Flame Atomic Absorption and Emission Spectrometry: A Review
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Determination of total mercury in fish and cormorant using cold vapour atomic absorption spectrometry
PublicationW pracy opisano technikę CV-AAS do oznaczania zawartości rtęci całkowitej w tkankach ryb i kormorana. Przedstawiono proces walidacji zastosowanej procedury analitycznej, w ramach którego wyznaczono takie parametry walidacyjne jak:- selektywność,- liniowość (r>0,993),- zakres pomiarowy (0,29-100 ng),- poprawność (odzysk 98%),- powtarzalność (CV <10%).Wartość rozszerzonej niepewności <13%.Przedstawiono wyniki pomiarów dla 8 gatunków...