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Search results for: ATOMIC FORCE MICROCOPY
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Replica Exchange and Multicanonical Algorithms with the Coarse-Grained United-Residue (UNRES) Force Field
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Force-induced structural changes in non-sulfated carrageenan based oligosaccharides – a theoretical study
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Experimental determination of impact stiffness parameters for the non-linear viscoelastic model of pounding force
PublicationNieliniowy model lepko-sprężysty umożliwia dokładną symulację siły zderzenia w czasie oraz symulację odpowiedzi konstrukcji podatnej na zderzanie podczas trzęsień ziemi. Celem tego artykułu jest eksperymentalne wyznaczenie wartości współczynnika sztywności zderzenia jako parametru tegoż modelu.
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Stark effect of atomic helium second triplet series in electric fields up to 1600 kV cm−1
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Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin
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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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Mechanical analysis of eccentric defected bilayer graphene sheets considering the van der Waals force
PublicationIn this article, we have tried to simulate nonlinear bending analysis of a double-layered graphene sheet which contains a geometrical imperfection based on an eccentric hole. The first-order shear deformation theory is considered to obtain the governing equations. Also, the nonlinear von Kármán strain field has been assumed in order to obtain large deformations. Whereas the double-layered graphene sheet has been considered, the...
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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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Problems of Atomic Science and Technology
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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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Jacek Tejchman prof. dr hab. inż.
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API 5L X65 steel - CMOD-force record in -10°C, along rolling direction
Open Research DataSteel designated as API 5L X65 is often used for oil and gas transportation pipelines. It is caused due to its high ductility, weldability and good corrosion resistance. API 5L X65 is a low alloy steel with carbon content less than 0.3% (depends on delivery condition). Once installed, a pipeline remains in place for many years. Throughout its life,...
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API 5L X65 steel - CMOD-force record in -10°C, across rolling direction
Open Research DataSteel designated as API 5L X65 is often used for oil and gas transportation pipelines. It is caused due to its high ductility, weldability and good corrosion resistance. API 5L X65 is a low alloy steel with carbon content less than 0.3% (depends on delivery condition). Once installed, a pipeline remains in place for many years. Throughout its life,...
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EH36 steel for shipbuilding (plate thicnkness 50mm) - CMOD - force record, a0/W = 0.6
Open Research DataThe basic method of ductility designation of structural steels is the Charpy impact test. The test consists of a single strike of the specimen using a Charpy pendulum. Its result is the value of work necessary to break a specimen at a test temperature. Despite its many advantages, such as its short implementation time and low costs, it has its disadvantages,...
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Jerzy Konorski dr hab. inż.
PeopleJerzy Konorski received his M. Sc. degree in telecommunications from Gdansk University of Technology, Poland, and his Ph. D. degree in computer science from the Polish Academy of Sciences, Warsaw, Poland. In 2007, he defended his D. Sc. thesis at the Faculty of Electronics, Telecommunications and Informatics, Gdansk University of Technology. He has authored over 150 papers, led scientific projects funded by the European Union,...
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Towards a universal embedded-atom method: empirically adjusted and consistent set of atomic densities for all elements of the periodic table
PublicationModel atomu HFS został zmodyfikowany poprzez wyznaczenie indywidualnych parametrów αex dla atomów. Parametry αex wyznaczono w oparciu o energię jonizacji atomów. W oparciu o tak zmodyfikowaną metodę HFS wyznaczono rozkłady gęstości elektronów w atomach.
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Yuanzineng Kexue Jishu/Atomic Energy Science and Technology
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Problems of Atomic Science and Technology, Series Thermonuclear Fusion
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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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The estimation of cutting forces and specific force coefficients during finishing ball end milling of inclined surfaces
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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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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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EH36 steel for shipbuilding (plate thicnkness 40 mm) - CMOD - force record, a0/W = 0.5
Open Research DataThe basic method of ductility designation of structural steels is the Charpy impact test. The test consists of a single strike of the specimen using a Charpy pendulum. Its result is the value of work necessary to break a specimen at a test temperature. Despite its many advantages, such as its short implementation time and low costs, it has its disadvantages,...
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EH36 steel for shipbuilding (plate thicnkness 40 mm) - CMOD - force record, a0/W = 0.6
Open Research DataThe basic method of ductility designation of structural steels is the Charpy impact test. The test consists of a single strike of the specimen using a Charpy pendulum. Its result is the value of work necessary to break a specimen at a test temperature. Despite its many advantages, such as its short implementation time and low costs, it has its disadvantages,...
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EH36 steel for shipbuilding (plate thicnkness 30 mm) - CMOD - force record, a0/W = 0.6
Open Research DataThe basic method of ductility designation of structural steels is the Charpy impact test. The test consists of a single strike of the specimen using a Charpy pendulum. Its result is the value of work necessary to break a specimen at a test temperature. Despite its many advantages, such as its short implementation time and low costs, it has its disadvantages,...
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EH36 steel for shipbuilding (plate thicnkness 60 mm) - CMOD - force record, a0/W = 0.6
Open Research DataThe basic method of ductility designation of structural steels is the Charpy impact test. The test consists of a single strike of the specimen using a Charpy pendulum. Its result is the value of work necessary to break a specimen at a test temperature. Despite its many advantages, such as its short implementation time and low costs, it has its disadvantages,...
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EH36 steel for shipbuilding (plate thicnkness 50 mm) - CMOD - force record, a0/W = 0.5
Open Research DataThe basic method of ductility designation of structural steels is the Charpy impact test. The test consists of a single strike of the specimen using a Charpy pendulum. Its result is the value of work necessary to break a specimen at a test temperature. Despite its many advantages, such as its short implementation time and low costs, it has its disadvantages,...
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EH36 steel for shipbuilding (plate thicnkness 30 mm) - CMOD - force record, a0/W = 0.5
Open Research DataThe basic method of ductility designation of structural steels is the Charpy impact test. The test consists of a single strike of the specimen using a Charpy pendulum. Its result is the value of work necessary to break a specimen at a test temperature. Despite its many advantages, such as its short implementation time and low costs, it has its disadvantages,...
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Molecularly imprinted stir bar sorptive extraction coupled with atomic absorption spectrometry for trace analysis of copper in drinking water samples
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Mo93m isomer depletion via nuclear excitation by electron capture in resonant transfer into highly excited open-shell atomic states
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Solid phase extraction and sequential elution for pre-concentration of traces of Mn and Zn in analysis of honey by flame atomic absorption spectrometry
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Element analysis of bee-collected pollen and bee bread by atomic and mass spectrometry – Methodological development in addition to environmental and nutritional aspects
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Why do G-quadruplexes dimerize through the 5’-ends? Driving forces for G4 DNA dimerization examined in atomic detail
PublicationG-quadruplexes (G4) are secondary structures formed by guanine-rich nucleic acid sequences and shown to exist in living cells where they participate in regulation of gene expression and chromosome maintenance. G-quadruplexes with solvent-exposed guanine tetrads show the tendency to associate together through cofacial stacking, which may be important for packaging of G4-forming sequences and allows for the design of higher-order...
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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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Investigating the combined impact of plasticizer and shear force on the efficiency of low temperature reclaiming of ground tire rubber (GTR)
PublicationIn the present work, ground tire rubber (GTR) was mechano-chemically reclaimed at ambient temperature using two-roll mills. Road bitumen and styrene-butadiene-styrene (SBS)-modified bitumen at variable content (in range: 2.5–20 phr) were applied as reactive plasticizers to enhance reclaiming of GTR. For better understanding the plasticizing effect of bitumen on the quality of obtained reclaimed rubber, mechano-chemically reclaimed...
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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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Determination of methylcyclopentadienyl-manganese tricarbonyl in gasoline and water via ionic-liquid headspace single drop microextraction and electrothermal atomic absorption spectrometry
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Magnetic Molecularly Imprinted Polymer Nanoparticles for Selective Extraction of Copper from Aqueous Solutions Prior to Its Flame Atomic Absorption Determination
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Magnetic molecularly imprinted polymer nanoparticles for selective extraction of copper from aqueous solutions prior to its flame atomic absorption determination
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Solid phase extraction with flame atomic absorption spectrometry for determination of traces of Ca, K, Mg and Na in quality control of white sugar
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Prediction of Stress and Deformation Caused by Magnetic Attraction Force in Modulation Elements in a Magnetically Geared Machine Using Subdomain Modeling
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