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Search results for: IMPACT FORCE
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Force-induced structural changes in non-sulfated carrageenan based oligosaccharides – a theoretical study
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Dynamic Formation and Breaking of Disulfide Bonds in Molecular Dynamics Simulations with the UNRES Force Field
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Replica Exchange and Multicanonical Algorithms with the Coarse-Grained United-Residue (UNRES) Force Field
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Differentiating between Inactive and Active States of Rhodopsin by Atomic Force Microscopy in Native Membranes
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Photodegradation of lauric acid at an anatase single crystal surface studied by atomic force microscopy
PublicationBadania obejmowały obserwację zmian topografii powierzchni, za pomocą mikroskopii sił atomowych, cienkiej warstwy kwasu laurynowego osadzonego na monokrysztale anatazu. Warstwę kwasu laurynowego o grubości 80-90 nm naświetlano promieniowaniem z zakresu UV-Vis. Zauważono, że kwas laurynowy osadzany metodą wirującego dysku tworzy na powierzchni monokryształów TiO2 struktury domenowe. Stwierdzono, że podczas naświetlania nie ulega...
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Reappraisal of European guidelines on hypertension management: a European Society of Hypertension Task Force document
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Reappraisal of European guidelines on hypertension management: a European Society of Hypertension Task Force document
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Influence of sonication on Warner-Bratzler shear force, colour and myoglobin of beef (m. semimembranosus)
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Implementation and Validation of Multisinusoidal, Fast Impedance Measurements in Atomic Force Microscope Contact Mode.
PublicationThis study presents a novel approach to impedance measurements. The methodology discussed is limited to contact in the sample-probe system under ambient conditions without the presence of electrolyte. Comparison with results of direct and alternating current measurements for well-defined metallic surfaces are made. In spite of idealization related to the type of contact examined, the proposed technique provides an improvement of...
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Study of particle - bubble interaction using atomic force microscopy - current possibilities and challenges
PublicationBadania oddziaływań pomiędzy cząstkami mineralnymi i pęcherzykami powietrza są kluczowe do zrozumienia przebiegu flotacji. Wykorzystanie mikroskopii sił atomowych (AFM) i techniki próbnika koloidalnego umożliwia pomiar takich oddziaływań.
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Numerical Analysis of a Steel Frame Building with Soft-storey Failure under Ground Motion Excitation
PublicationThe aim of this paper is to show the results of a numerical analysis focused on the behaviour of multi-storey steel frame building that suffers from a soft-storey failure under ground motion excitation. A numerical model of the structure was created in FEM computer software and was exposed to an impact that would have been generated after a soft-storey failure due to falling of the upper floors. During the analysis, the whole structure...
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Linear viscoelastic modelling of damage-involved structural pounding during earthquakes
PublicationDamage-involved structural pounding during earthquakes has been recently intensively studied using different impact force models. The results of the previous studies indicate that the linear viscoelastic model is relatively simple yet accurate in modelling pounding-involved behaviour of structures during earthquakes. The only shortcoming of the model is a negative value of the pounding force occurring just before separation, which...
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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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Topographic AFM imaging of the leaf surface with magnification of details of its morphological structure
Open Research DataTopographic imaging of the leaf surface with magnification of details of its morphological structure. Measurements in semi-contact mode. NTEGRA Prima (NT-MDT) device. NSG 01 probe.
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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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Computational Fluid Dynamic study on the wind characteristics of a multifunctional building system model in developed coastal cities
PublicationThis paper presents an approach for providing innovative technology by applying fluid mechanics to the field of architectural design. The aim is to make a building’s shape profitable and strengthen environmental protection by using the wind force to create an integrated wind absorption definition for a multifunctional building system model. Furthermore, taking control of the wind flow over an object can have an impact on not only...
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Physics Comes to the Aid of Medicine—Clinically-Relevant Microorganisms through the Eyes of Atomic Force Microscope
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Prediction of the structures of proteins with the UNRES force field, including dynamic formation and breaking of disulfide bonds
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Implementation of a Serial Replica Exchange Method in a Physics-Based United-Residue (UNRES) Force Field
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The effect of an active force while slide diamond burnishing of wooden shafts upon process quality
PublicationThe quality of the surface of wooden elements that have been turned and burnished has got a crucial meaning in the whole production process flow, since the obtained effects affect the quality of the wooden surface after finishing (coating, painting). In the paper, selected results of the investigation of the effect of the burnishing process on the surface quality of the elements after turning are presented. Research experiments...
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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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Exemplary AFM application in cosmetology
Open Research DataAtomic force microscopy can be used in the diagnosis of the condition of human tissues such as skin, nails and hair. This is obviously related to the use of a variety of cosmetic products and can be understood as an attempt to assess their long-term impact on human appearance and health. An example may be the studies presented in [1] indicating the...
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Assessment of the impact of bacteria Pseudomonas denitrificans, Pseudomonas fluorescens, Bacillus subtilis and yeast Yarrowia lipolytica on commercial poly(ether urethanes)
PublicationThe assessment of the impact of the bacteria Pseudomonas denitrificans, Pseudomonas fluorescens, Bacillus subtilis and yeast Yarrowia lipolytica on commercial poly(ether urethanes) Tecoflex® and Tecothane® is presented. The polyurethane samples were incubated with pure cultures of the microorganisms at 30 °C for five months. The changes in the chemical structure of the polymers were evaluated using loss of weight and contact angle...
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Modelling of laminated glass PVB walls of buildings exposed to vehicle impact with different speeds
PublicationThis paper presents an analytical model, developed for laminated glass subjected to a low-velocity impact. It has the ability to capture glass cracks as well as large non-linear deformations. It is based mathematically on the firstorder deformation concept, which considers the effect of membrane and transverse shear as well as bending. This theory uses damage mechanics to capture the glass cracking. For this purpose, several experiments...
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A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III. Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-field calibration and validation
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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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Sensing the onset of epoxy coating degradation with combined Raman spectroscopy/atomic force microscopy/electrochemical impedance spectroscopy
PublicationThe paper presents the results of investigation on epoxy resin durability upon 12-week exposure to UV radiation. The aim was early determination of the onset of epoxy degradation and for this purpose an epoxy film on steel substrate systems were periodically inspected using Raman spectroscopy, atomic force microscopy and electrochemical impedance spectroscopy. The behaviour of examined polymer could be divided into three periods: immunity,...
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Atomic force microscopy technique for the surface characterization of sol–gel derived multi-component silica nanocomposites
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Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers
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Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13
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Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements
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Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment
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Solid-State Dewetting as a Driving Force for Structural Transformation and Magnetization Reversal Mechniasm in FePd Thin Films
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Modeling of the fascia-mesh system and sensitivity analysis of a junction force after a laparoscopic ventral hernia repair
PublicationW pracy rozpatrywano prosty model cięgnowy układu powięż-siatka do oszacowania siły połączenia siatki z powięzią po operacji laparoskopowej przepukliny brzusznej. Cięgno obciążone jest ciśnieniem wewnątrz brzusznym, symulującym kaszel, oraz przemieszczeniami jego końców wywołanymi skłonami pacjenta. Wpływ poszczególnych parametrów cięgna na siłę połączenia określono za pomocą analizy wrażliwości. Sformułowano pewne wnioski ważne...
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The estimation of cutting forces and specific force coefficients during finishing ball end milling of inclined surfaces
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Effect of mean grain diameter on vortices, force chains and local volume changes in granular shear zones
PublicationW artykule pokazano rozwój różnych zjawisk mikrostrukturalnych na poziomie ziarna materiału granulowanego podczas parcia pasywnego piasku na sztywną ściankę przemieszczającą się poziomo. Obliczenia wykonano stosując metodę DEM. Wyniki na poziomie globalnym porównano z wynikami MES. Szczególna uwagę zwrócono na rozwój wirów i łańcuchów sił miedzy ziarnami.
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Cumulant-based expressions for the multibody terms for the correlation between local and electrostatic interactions in the united-residue force field
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Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins
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A method for optimizing potential-energy functions by a hierarchical design of the potential-energy landscape: Application to the UNRES force field
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Optimization of the UNRES Force Field by Hierarchical Design of the Potential-Energy Landscape. 3. Use of Many Proteins in Optimization
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Density Functional Theory Studies on Ir Spectra of the Triphenylene Derivatives. A Scaled Quantum Mechanical Force Field Approach
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Determination of occurrence of anodic excursion peaks by dynamic electrochemical impedance spectroscopy, atomic force microscopy and cyclic voltammetry
PublicationStruktura oraz skład warstw anodowych na ołowiu najbardziej zależy od; dodatków stopowych, stężenia kwasu siarkowego oraz od zakresu potencjału. Zjawisko powstawania pików "anodic excursion peaks" od zawsze było w centrum uwagi wielu naukowców. W tej pracy zachowanie się powyższego zjawiska (AEP) zostało zbadane metodami dynamicznej elektrochemicznej spektrokopii impedancyjnej, mikroskopu sił atomowych oraz chronowoltamperometrii....
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Contact force network evolution in active earth pressure state of granular materials: photo‑elastic tests and DEM
PublicationArtykuł omawia ewolucję sieci sił kontaktowych w materiałach granulowanych podczas quasi-statycznego stanu aktywnego. Doświadczenia foto sprężyste zostały wykonane dla kulek szklanych. Doświadczenia zostały symulowane stosując metodę elementów dyskretnych (DEM). Model DEM prawidłowo przewidział strukturę sił kontaktowych i ich wielkość, lokalizację odkształceń oraz obszary zmian fazowych.
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Non-Coaxially Rotating Motion in Casson Martial along with Temperature and Concentration Gradients via First-Order Chemical Reaction
PublicationThe effect of non-coaxial rotation on the transport of mass subjected to first-order chemical reaction is studied analytically. The effects of thermal radiation, buoyancy, constructive and destructive chemical reactions along with Casson fluid in rotating frame are discussed. Time evolution of primary and secondary velocities, energy and solute particles are analyzed. The behavior of flow under the variation of intensity of magnetic...
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Mechanizm współpracy z gruntem pali prefabrykowanych wbijanych w świetle próbnych obciążeń pali oprzyrządowanych
PublicationOpis badań i wyniki próbnych obciążeń statycznych dwóch pali prefabrykowanych wbijanych oprzyrządowanych w aparaturę do pomiaru rozkładu siły osiowej wzdłuż trzonu pala. Analiza wpływu czasu i procesu wbijania na charakterystykę osiadania pali prefabrykowanych wbijanych. Identyfikacja siły rezydualnej w palu prefabrykowanym wbijanym i jej wpływ na interpretację pomiarów ekstensometrycznych w próbnym obciążeniu pala. Wnioski na...
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Dynamic analysis of lightweight structure of the Viaduct Millau in France subjected to the wind fluctuations described by Karman’s and Davenport’s spectrum
PublicationThe article presents numerical simulations for wind impact modelling on the Millau Viaduct structure in France performed with two independent spectrum generation methods. The viaduct's construction in affected by strong forces, as it is situated in the Tarn river's valley. Thus, the loading coming from the wind cannot be modelled, the way it is in case of simple structures as static loading, but as a loading in a form of a spectrum...
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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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Damage-Involved Structural Pounding in Bridges under Seismic Excitation
PublicationDuring severe earthquakes, pounding between adjacent superstructure segments of highway elevated bridges was often observed. It is usually caused by the seismic wave propagation effect and may lead to significant damage. The aim of the present paper is to show the results of the numerical analysis focused on damage-involved pounding between neighbouring decks of an elevated bridge under seismic excitation. The analysis was carried...
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Comparison of two approaches to potential of mean force calculations of hydrophobic association: particle insertion and weighted histogram analysis methods
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