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Search results for: MECHANIKA KWANTOWA
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Theoretical study of the energetics of the reactions of triplet dioxygen with hydroquinone, semiquinone, and their protonated forms: relation to the mechanism of superoxide generation in the respiratory chain = Badanie teoretyczne energii z energii reakcji dioksygenu potrójnego z wodorem, półkiną i ich formami protony: relacja z mechanizmem wytwarzania supertlenku w łańcuchu oddechowym
PublicationW pracy prezentujemy wyniki obliczeń kwantowych ab initio i półempirycznych energetyki reakcji redukcji jednoelektronowej tlenu trypletowego. Zaproponowaliśmy cztery możliwe mechanizmy redukcji i przeprowadziliśmy obliczenia kwantowe. Z obliczeń wynika, że najprawdopodobniejszy mechanizm reakcji wiedzie poprzez przeniesienie elektronu z anionu hydrochinonu po deprotonacji lub też z rodnika semichinonowego na tlen cząsteczkowy,...
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Magdalena Rucka prof. dr hab. inż.
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Journal of Applied Fluid Mechanics
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Journal of Mechanical and Energy Engineering
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Macroscopic models for quantum systems and computers
PublicationOpisano układy makroskopowe realizujące dwubitowe operacje kwantowe.
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Dariusz Karkosiński dr hab. inż.
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Instytut Mechaniki Górotworu Polskiej Akademii Nauk
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Apatite-coated Ag/AgBr/TiO2 nanocomposites: Insights into the antimicrobial mechanism in the dark and under visible-light irradiation
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Study of the selection mechanism of heavy metal (Pb 2+, Cu 2+, Ni 2+ and Cd2+) adsorption on clinoptilite
PublicationBadano proces adsorpcji jonów metali ciężkich (w warunkach statycznych) z wodnych roztworów jednoskładnikowych i wieloskładnikowych na klinoptylolicie zarówno surowym jak i po wstępnej obróbce. Proces sorpcji ma charakter procesu jonowymiennego i składa sie z trzech etapów:- adsorpcji na powierzchni mikokryształów,- inwersji,- adsorpcji wewnątrz mikrokryształów.Proces sorpcji może być dobrze opisany zarówno za pomocą modelu Frendlicha...
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Influence of retrogression and reaging on microstructure, mechanical properties and susceptibility to stress corrosion cracking of an Al-Zn-Mg alloy.
PublicationPrzedmiotem badań był stop AlZn5Mg1 poddany nawrotowi i starzeniu w różnej temperaturze i przez różny czas. Badano podatność na korozję naprężeniową przy stałej prędkości rozciągania 10-6 s-1. Obróbka cieplna, która polepsała własności, pogarszała odporność na korozję naprężeniową. Efekty te przypisano zmianiom wielkości i rozkładu wydzieleń.
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A Mesh Deformation Technique Based on Solid Mechanics for Parametric Analysis of High-Frequency Devices With 3-D FEM
PublicationIn this paper, a versatile technique for mesh defor- mation is discussed, targeted at the electromagnetic (EM) field simulation of high-frequency devices using the 3-D finite element method (FEM). The approach proposed applies a linear elasticity model to compute the displacements of the internal mesh nodes in 3-D when the structure geometry is changed. The technique is compared with an alternative approach...
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Effect of Compounding Conditions on Static and Dynamic Mechanical Properties of High Density Polyethylene/Ground Tire Rubber Blends
PublicationSearching for new and cost-effective methods of waste rubber recycling is a subject of research in many scientific centers in the world. In this paper there are presented results of the research of the extrusion process of cheap and environmentally friendly thermoplastic compositions containing 50 % wt. of masses of ground tire rubber (GTR). The aim of this study was to determine the relationship between the mixing conditions and...
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Electrical and mechanical characterization of two-phase alloys by means of scanning probe microscopy in dynamic impedance spectroscopy mode
PublicationDynamic impedance spectroscopy, evaluated for measuring non-stationary systems, was used in combination with scanning probe microscope. Using this approach, localized impedance measurements in the AFM contact mode could be carried out. Additionally, impedance–force curves were made at each phase of investigated materials to illustrate the relation between impedance and the force applied to a probe. Therefore, correlation of electrical...
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Exploring Mechanism of Corrosion Inhibition of WE43 and AZ31 Alloys by Aqueous Molybdate in Hank’s Solution by Multisine Impedimetric Monitoring
PublicationThe concept of utilizing multisine dynamic electrochemical impedance spectroscopy to monitor effectiveness of a model molybdate inhibitor for AZ31 and WE43 Mg alloys is proposed. The corrosion kinetics and instantaneous values of inhibition efficiency (IE) of molybdate at concentrations up to 150 mM were examined. The inhibitor provides inhibition in Hank’s solution at concentrations starting from ca. 25 mM, with the IE of about...
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Influence of retrogression and reaging (RRA) heat treatment on microstructure, mechanical and chemical behaviour of an Al-Zn-Mg alloy
PublicationBadano metodą stałego wolnego rozciągania w wodzie morskiej wpływ czasu i temperatury nawrotu oraz powtórnego starzenia na czas do zniszczenia, energię zniszczenia, przewężenie i odkształcenie. Stwierdzono ogólnie niewielki wpływ, przy czym wzrostowi odporności na korozję naprężeniową towarzyszył spadek właściwości mechanicznych. Obserwowane zmiany właściwości przypisano zmianom struktury dyslokacyjnej i mikrostruktury.
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Mechanical and structural behavior of high-strength low-alloy steel pad welded by underwater wet welding conditions
PublicationThe aim of the paper was to determine the metallurgical and mechanical behaviors of a high-strength low-alloy (HSLA) steel pad-welded specimen used in the structures of industrial and naval parts. Then to predict the metallurgical consequences (nature of the phases present) and the mechanical properties (hardness and impact strength) of the pad-welded steel obtained by underwater wet welding with different heat input values. The...
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A procedure for the identification of effective mechanical parameters of additively manufactured elements using integrated ultrasonic bulk and guided waves
PublicationThe subject of the current work was a simple but robust novel two-stage procedure for the non-destructive determination of effective elastic constants using ultrasonic wave propagation. First, ultrasonic bulk wave velocities measured on cubic samples were used to calculate most of the elements of the stiffness matrix. Secondly, the remaining elements were determined using the dispersion curves of elastic guided waves measured on...
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Thermal Buckling Analysis of Circular Bilayer Graphene sheets Resting on an Elastic Matrix Based on Nonlocal Continuum Mechanics
PublicationIn this article, the thermal buckling behavior of orthotropic circular bilayer graphene sheets embedded in the Winkler–Pasternak elastic medium is scrutinized. Using the nonlocal elasticity theory, the bilayer graphene sheets are modeled as a nonlocal double–layered plate that contains small scale effects and van der Waals (vdW) interaction forces. The vdW interaction forces between the layers are simulated as a set of linear springs...
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A new hyperbolic-polynomial higher-order elasticity theory for mechanics of thick FGM beams with imperfection in the material composition
PublicationA drawback to the material composition of thick functionally graded materials (FGM) beams is checked out in this research in conjunction with a novel hyperbolic‐polynomial higher‐order elasticity beam theory (HPET). The proposed beam model consists of a novel shape function for the distribution of shear stress deformation in the transverse coordinate. The beam theory also incorporates the stretching effect to present an indirect...
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Cross-Linking, Morphology, and Physico-Mechanical Properties of GTR/SBS Blends: Dicumyl Peroxide vs. Sulfur System
PublicationIn this work, ground tire rubber and styrene–butadiene block copolymer (GTR/SBS) blends at the ratio of 50/50 wt%, with the application of four different SBS copolymer grades (linear and radial) and two types of cross-linking agent (a sulfur-based system and dicumyl peroxide), were prepared by melt compounding. The rheological and cross-linking behavior, physico-mechanical parameters (i.e., tensile properties, abrasion resistance,...
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Mechanical Properties and Wear Susceptibility Determined by Nanoindentation Technique of Ti13Nb13Zr Titanium Alloy after “Direct Laser Writing”
PublicationLaser treatment has often been applied to rebuild the surface layer of titanium and its alloys destined for long-term implants. Such treatment has always been associated with forming melted and re-solidified thin surface layers. The process parameters of such laser treatment can be different, including the patterning of a surface by so-called direct writing. In this research, pulse laser treatment was performed on the Ti13Nb13Zr...
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Imidazoacridinone antitumor agent, c-1311, as a selective mechanism-based inactivator of human recombinant cytochrome P450 1A2
PublicationPrzedmiotem badań była przeciwnowotworowa pochodna imidazoakrydonu, C-1311, która pod nazwą Symadex R, znajduje się aktualnie w II fazie badań klinicznych. Wcześniejsze wyniki pozwoliły stwierdzić, że związek ten jest selektywnym inhibitorem niektórych enzymów cytochromowych. Podjęto zatem próbę wyjaśnienia mechanizmu inhibicji izoenzymów cytochromu P450 przez C-1311. Wykazano, że utrata aktywności katalitycznej obu izoenzymów...
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Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment
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Mechanical and thermodynamic properties of Aβ42, Aβ40, and α-synuclein fibrils: a coarse-grained method to complement experimental studies
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Acute Effects of Different Intensities during Bench Press Exercise on the Mechanical Properties of Triceps Brachii Long Head
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Insight into the microbial and genetic response of anammox biomass to broad range concentrations of different antibiotics: Linking performance and mechanism
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Acute Effects of High-Load vs. Plyometric Conditioning Activity on Jumping Performance and the Muscle-Tendon Mechanical Properties
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Correction: Simultaneously improving the thermal stability, flame retardancy and mechanical properties of polyethylene by the combination of graphene with carbon black
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Combination of fumed silica with carbon black for simultaneously improving the thermal stability, flame retardancy and mechanical properties of polyethylene
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Pollution characteristics, mechanism of toxicity and health effects of the ultrafine particles in the indoor environment: Current status and future perspectives
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Activation mechanism and activity of globupain, a thermostable C11 protease from the Arctic Mid-Ocean Ridge hydrothermal system
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The Influence of the Morphology and Mechanical Properties of Polymer Inclusion Membranes (PIMs) on Zinc Ion Separation from Aqueous Solutions
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Mechanism of selective anticancer activity of isothiocyanates relies on differences in DNA damage repair between cancer and healthy cells
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Bacteria Residing at Root Canals Can Induce Cell Proliferation and Alter the Mechanical Properties of Gingival and Cancer Cells
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TMSCl Promoted Acylation of Amines with 5-(α-amino- α'-hydroxy)methylene Meldrum's Acids - Elucidation of Mechanism.
PublicationRecently we have observed accelerating influence of trimethyl silyl chloride addition on the rate of the reactions of 5-(α-amino- α'-hydroxy)methylene Meldrum's Acids with amines, particularly in the case of highly basic amines. However the nature of the aforementioned process remain unexplained. In proposed communication we wish to report insightful elucidation of this mechanism. The reaction under investigation involves simply...
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Determination of the adsorption mechanism of imidazolium type ionic liquids onto kaolinite: implications for their fate and transport in the soil environment
PublicationNiniejsza publikacja szczegółowo opisuje sorpcję cieczy jonowych na powierzchni glin kaolinowych. Uzyskane wyniki wskazują na występowanie zjawiska sorpcji wielowarstwowej. Przy całkowitym wysyceniu najwyższy współczynnik podziału został zaaobserwowany dla cieczy jonowych podstawionych długim łańcuchem alkilowym. Średnie wartości energii swobodnej wyznaczone dla procesu sorpcji cieczy jonowych są niższe niż typowe energie swobodne...
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Physical and Mechanical Evaluation of Silicone-Based Double-Layer Adhesive Patch Intended for Keloids and Scar Treatment Therapy
PublicationGrowing interest in silicone elastomers for pharmaceutical purposes is due to both theirbeneficial material effect for scar treatment and their potential as drug carriers. Regarding their morphological structure, silicone polymers possess unique properties, which enable a wide range of applicability possibilities. The present study focused on developing a double-layer adhesive silicone film (DLASil) by evaluating its physical...
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Działalność naukowego "Koła Mechaników i Elektrotechników Studentów Polaków Politechniki Gdańskiej" w latach 1923-1939
PublicationArtykuł przedstawia historię powstania
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Mechanical and Thermal Properties of W-Ta-B Coatings Deposited by High-Power Impulse Magnetron Sputtering (HiPIMS)
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Physical and Mechanical Evaluation of Silicone-Based Double-Layer Adhesive Patch Intended for Keloids and Scar Treatment Therapy
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Comparison of the effect of montmorillonite, magnesium hydroxide and a mixture of both on the flammability properties and mechanism of char formation of HDPE composites
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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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Corrosion Resistance and Mechanical Properties of TIG and A-TIG Welded Joints of Lean Duplex Stainless Steel S82441 / 1.4662
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Chemically Bonded Silica Stationary Phases: Synthesis, Physicochemical Characterization, and Molecular Mechanism of Reversed-Phase HPLC Retention
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Experimental investigation and optimization of compression moulding parameters for MWCNT/glass/kevlar/epoxy composites on mechanical and tribological properties
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Electrocatalytic performance of oxygen-activated carbon fibre felt anodes mediating degradation mechanism of acetaminophen in aqueous environments
PublicationCarbon felts are flexible and scalable, have high specific areas, and are highly conductive materials that fit the requirements for both anodes and cathodes in advanced electrocatalytic processes. Advanced oxidative modi- fication processes (thermal, chemical, and plasma-chemical) were applied to carbon felt anodes to enhance their efficiency towards electro-oxidation. The modification of the porous anodes results in increased...
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Optimization of biocorrosion resistance and mechanical properties of PM Ti–XAl–2Fe–3Cu alloys by response surface methodology
PublicationIn the current study, the biocorrosion resistance and mechanical properties of the Ti–XAl–2Fe–3Cu (wt%) (X = 6, 4, 2 wt%) alloy produced by powder compact extrusion of blended elemental powders were optimized by using the response surface methodology in order to gain the best combination of processing parameters. To run the optimization process, central composite design with three equal levels of oxygen, hydrogen and aluminum was...
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Molecular mechanism and energetics of coupling between substrate binding and product release in the F 1 -ATPase catalytic cycle
PublicationF1-ATPase is a motor protein that couples the rotation of its rotary γ subunit with ATP synthesis or hydrolysis. Single-molecule experiments indicate that nucleotide binding and release events occur almost simultaneously during the synthesis cycle, allowing the energy gain due to spontaneous binding of ADP to one catalytic β subunit to be directly harnessed for driving the release of ATP from another rather than being dissipated...
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Monitoring of crosslinking of a DGEBA-PAMAM adhesive in composite/aluminium bonded joint using mechanical and ultra-sound techniques
PublicationAdhesive cure is an important and determining aspect of strength and stability of bonded structures. Crosslinking of the polymer leads to the adhesive strength, stiffness and durability. Depending on the resin and curing agent used, cure time can vary from minutes to weeks, even then 100% crosslinking not being guaranteed. Standard methods based on dynamic mechanical analysis (DMA) or calorimetric techniques (DSC, DTA) are valuable...
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Study on Microstructure and Mechanical Properties of Laser Welded Dissimilar Joint of P91 Steel and INCOLOY 800HT Nickel Alloy
PublicationThis investigation attempts to explore the weld characteristics of a laser welded dissimilar joint of ferritic/martensitic 9Cr-1Mo-V-Nb (P91) steel and Incoloy 800HT austenitic nickel alloy. This dissimilar joint is essential in power generating nuclear and thermal plants operating at 600–650 °C. In such critical operating conditions, it is essential for a dissimilar joint to preserve its characteristics and be free from any kind...