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Search results for: HIRSHFELD SURFACE
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Metal dusting phenomena of 501 AISI furnace tubes in refinery fractional distillation unit
PublicationThe purpose of this investigation was to conduct the failure analysis of 501 AISI furnace tubes places before distillation column in fractional distillation unit. The investigated furnace tubes were planned to work for ten years however after just two years of exploitation <30% of the material left. The observed corrosion process had the intense and complex character. The well-adhered shiny black deposits and deep, round pits were...
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Runoff Water
PublicationThis entry summarizes the current state of knowledge on the role of atmospheric pollutants' transport to the surface and transformations of wet deposition on contact with various surfaces. Runoff waters are one of the forms in which precipitation reaches the groundwater and surface water. They are formed when rain or melting snow washes the surfaces of roofs, highways, agricultural areas, or tree canopies. Pollutants present in...
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Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety
PublicationFour sulfonamide derivatives with a methoxyphenyl moiety, namely N-{4-[(2-methoxyphenyl)sulfamoyl] phenyl}acetamide (1a), N-{4-[(3-methoxyphenyl)sulfamoyl]phenyl}acetamide (1b), 4-amino-N-(2- methoxyphenyl)benzenesulfonamide (2a) and 4-amino-N-(3-methoxyphenyl)benzenesulfonamide (2b), have been synthesized and characterized physiochemically by CHNS, MS, FT-IR, 1H NMR, 13C NMR, PXRD and TG methods. Crystal structures were determined...
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An unusual four-nuclear Pb(II)-pyrrole-2-carboxylato polymer: The effect of the lone pair and non-covalent interactions on the supramolecular assembly and fluorescence properties
PublicationThe reaction of Pb(NO3)2 with 1H-pyrrole-2-carboxylic acid (2prCOOH) leads to the formation of a new four-nuclear Pb(II) polymer, [Pb4(2prCOO)8(H2O)]n, which has been characterized by CHN, FT-IR, TG, PL and single-crystal X-ray diffraction methods. In view of the primary Pb–O bonds, Pb1 and Pb3 show hemidirected pentagonal pyramidal geometries, while Pb2 and Pb4 display hemidirected octahedral geometries. The topology of the strongest...
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Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters
PublicationThree new titanium oxo-clusters Ti4O2(OiPr)10(OOCPhMe)2 (I), Ti6O4(OEt)8(OOCPhMe)8 (II) and Ti6O6(OEt)6(OOCCHPh2)6 (III) were obtained by easy one-step solvothermal reactions of titanium(IV) isopropoxide, alcohols and carboxylic acids. The three compounds were characterized by single-crystal and powder X-ray diffraction, TGA/DSC, optical and electron microscopy, and FTIR and NMR spectroscopy. X-ray powder diffraction and spectroscopy...
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Singular curves in the resultant thermomechanics of shells
PublicationSome geometric and kinematic relations associated with the curve moving on the shell base surface are discussed. The extended surface transport relation and the extended surface divergence theorems are proposed for the piecewise smooth tensor fields acting on the regular and piecewise regular surfaces. The recently formulated resultant, two-dimensionally exact, thermodynamic shell relations - the balances of mass, linear and angular...
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Application of Alanine Scanning to Determination of Amino Acids Essential for Peptide Adsorption at the Solid/Solution Interface and Binding to the Receptor: Surface-Enhanced Raman/Infrared Spectroscopy versus Bioactivity Assays
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Absorbciâ vodoroda i povedenie vodoroda v slaâh titanovyh silavov s modificirovannoj poverhnost''û = Hydrogen absorption and hydrogen effects in the modified surface layers of Ti alloys
PublicationW pracy przedstawiono rezultaty badań absorpcji wodoru w stopach tytanu ze zmodyfikowaną za pomocą metod multipleksowych powierzchnią. W wyniku badań stwierdzono, iż po nadtapianiu laserowym w warunkach kriogenicznych, stopy tytanu wykazuja najwyższą zdolność absorpcji wodoru w wytworzonej warstwie wierzchniej.
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Modeling and optimizing the removal of cadmium by Sinapis alba L. from contaminated soil via Response Surface Methodology and Artificial Neural Networks during assisted phytoremediation with sewage sludge
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Novel Versatile Topologies and Design Optimization of Wide-Bandstop Frequency Selective Surfaces for X-Band, Ku-Band and Millimeter-Wave Applications
PublicationNovel designs of frequency selective surface (FSS) are presented for wideband applications in X, Ku and mmWave (millimeter Wave) bands. Two identical metallic layers of FSS are imprinted on both sides of the RO4003 substrate. The geometry parameters are optimized to maximize the bandstop at the specified in-band maximum transmission level of –10 dB; satisfaction of the latter condition is enforced through appropriate formulation...
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Texture or Linker? Competitive Patterning of Receptor Assembly toward Ultra-Sensitive Impedimetric Detection of Viral Species at Gold-Nanotextured Titanium Surfaces
PublicationIn this work, we study the electrodes with a periodic matrix of gold particles pattered by titanium dimples and modified by 3-mercaptopropionic acid (MPA) followed by CD147 receptor grafting for specific impedimetric detection of SARS-CoV-2 viral spike proteins. The synergistic DFT and MM/MD modeling revealed that MPA adsorption geometries on the Au–Ti surface have preferential and stronger binding patterns through the carboxyl...
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Microwave-Reactor-Based Preparation of Red Iron Oxide Pigment from Waste Iron Sulfate
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Integration of the sulfate reduction and anammox processes for enhancing sustainable nitrogen removal in granular sludge reactors
PublicationThe Anammox and Sulfate Reduction Ammonium Oxidation processes were compared in two granular sequencing batch reactors operated for 160 days under anammox conditions. It was hypothesized that increasing the concentration of SO42− may positively influence the rate of N removal under anaerobic conditions and it was tested whether SO42− reduction and anammox occur independently or are related to each other. The cooperation of N-S...
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Sulfate‐reducing bacteria‐assisted hydrogen‐induced stress cracking of 2205 duplex stainless steels
PublicationThe paper presents the results of a laboratory investigation of the microbiologically assisted hydrogen‐induced stress cracking (HISC) of 2,205 duplex stainless steel (DSS). The testing of susceptibility toward HISC was performed with two different methods. Precharged in sulfate‐reducing bacteria (SRB), inoculated medium samples were subjected to slow strain‐rate testing in artificial seawater. In situ constant load tests were...
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Road texture influence on tire rolling resistance
PublicationTire rolling resistance is one of the most important resistive forces acting on road vehicles. It depends on tire and surface characteristics as well as vehicle operating parameters. This paper deals with the influence of road surface texture on rolling resistance of passenger car tires. Results of road measurements performed on variety of road surfaces are presented.
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Synthesis, Characterization and Biological Investigations of Half-Sandwich Ruthenium(II) Complexes Containing Benzimidazole Moiety
PublicationHalf-sandwich Ru(II) complexes belong to group of biologically active metallo-compounds with promising antimicrobial and anticancer activity. Herein, we report the synthesis and characteri- zation of arene ruthenium complexes containing benzimidazole moiety, namely, [(η6-p-cymene)RuC l(bimCOO)] (1) and [(η6-p-cymene)RuCl2(bim)] (2) (where bimCOO = benzimidazole-2-carboxylate and bim = 1-H-benzimidazole). The compounds were characterized...
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Structural motifs in the Cu(II), Mn(II) and Zn(II) complexes based on N,N,N-donor dipodal or N,N,N,N-donor tripodal ligands obtained in situ: Synthesis, crystal structures and xanthine oxidase inhibition properties
PublicationA series of four novel transition metal complexes, [Cu(NCS)2L1] (1), [Mn(NCS)2L1] (2) where L1 = bis(1-(3,5-dimethylpyrazolyl)methyl)amine, [Mn(NCS)2L2] (3) and [Zn(NCS)L2]2[Zn(NCS)4] (4) where L2 = tris(1-(3,5-dimethylpyrazolyl)methyl)amine, has been obtained in situ by a one-step, one-pot synthetic path starting from 1-hydroxymethyl-3,5-dimethylpyrazole (L). The isolated complexes were fully characterised by elemental analysis,...
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Synthesis, structure, DNA binding and anticancer activity of mixed ligand ruthenium(II) complex
PublicationIn order to obtain a potential chemotherapeutic which is not affected on the normal BALB/3T3 cell line, a new arene ruthenium(II) complex {[RuCl(L1)(η6-p-cymene)]PF6}2 · H2O has been synthesized by a direct reaction of precursor, [{(η6-p-cymene)Ru(μ-Cl)}2Cl2], with N,N-chelating ligand (L1 - 2,2′-bis(4,5-dimethylimidazole). The compound has been fully characterized by elemental analysis, X-ray diffraction, IR, UV–Vis and 1H, 13C...
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Development and optimization of simplified method of fast sequential HR-CS-FAAS analysis of apple juices on the content of Ca, Fe, K, Mg, Mn and Na with the aid of response surface methodology
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Application of Box-Behnken design in response surface methodology for the molecularly imprinted polymer pipette-tip solid phase extraction of methyl red from seawater samples and its determination by spectrophotometery
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Separation and determination of ciprofloxacin in seawater, human blood plasma and tablet samples using molecularly imprinted polymer pipette‐tip solid phase extraction and its optimization by response surface methodology
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Tool wear, surface roughness, cutting temperature and chips morphology evaluation of Al/TiN coated carbide cutting tools in milling of Cu–B–CrC based ceramic matrix composites
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The joint effect of electrical conductivity and surface oxygen functionalities of carbon supports on the oxygen reduction reaction studied over bare supports and Mn–Co spinel/carbon catalysts in alkaline media
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Assessment of the Steering Precision of a Hydrographic Unmanned Surface Vessel (USV) along Sounding Profiles Using a Low-Cost Multi-Global Navigation Satellite System (GNSS) Receiver Supported Autopilot
Publicationhe performance of bathymetric measurements by traditional methods (using manned vessels) in ultra-shallow waters, i.e., lakes, rivers, and sea beaches with a depth of less than 1 m, is often difficult or, in many cases, impossible due to problems related to safe vessel maneuvering. For this reason, the use of shallow draft hydrographic Unmanned Surface Vessels (USV) appears to provide a promising alternative method for performing...
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Dual functionality of amphiphilic 1-alkyl-3-methylimidazolium hydrogen sulfate ionic liquids: surfactants with catalytic function
PublicationA series of amphiphilic 1-alkyl-3-methylimidazolium hydrogen sulfate ionic liquids were synthesized. Acidic hydrogen sulfate ionic liquids with the alkyl chains C6–C14 are characterized by good surface properties. Their surface properties (adsorption and micellization parameters, degree of ionization of micelles, Krafft temperatures and thermodynamic parameters) were determined. Synthesized ionic liquids were applied as a co-catalyst...
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Cyclic deformation and fracture behaviour of additive manufactured maraging steel under variable-amplitude loading
PublicationThe cyclic deformation and fracture behaviour of 18Ni300 maraging steel produced by laser beam powder bed fusion is studied under variable-amplitude loading. The tests were conducted under fully-reversed strain-controlled conditions with a loading sequence comprising three ascending cycles and three descending cycles repeated sequentially until failure. After the tests, fracture surfaces were examined using height and volume surface...
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Parametrization of Backbone−Electrostatic and Multibody Contributions to the UNRES Force Field for Protein-Structure Prediction from Ab Initio Energy Surfaces of Model Systems
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Evaluation of the Efficacy of UV-C Radiation in Eliminating Microorganisms of Special Epidemiological Importance from Touch Surfaces under Laboratory Conditions and in the Hospital Environment
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Variations in host surfaces morphology and biology of ciliate epibionts explaining distribution pattern of epibionts in the invasive signal crayfish Pacifastacus leniusculus (Dana, 1852)
Publicationciliates on the signal crayfish Pacifastacus leniusculus in relation to specialized structures of the host’s exoskeleton for the first time. This species is known to maintain a relatively clean carapace, but it is sometimes overgrown by other organisms. Epibionts cover different parts of the signal crayfish body, mainly antennae, antennules, maxillipedes III and pereiopods with inner edges of chelae; however, some parts of the...
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Potential reduction of traffic noise by the means of increased fleet of electric vehicles using a combination of low-noise tyres and low-noise road surfaces
PublicationIn the future, the number of zero-emission vehicles like electric and plug-in hybrid vehicles (in electric mode) is expected to be a substantial part of the vehicle fleet. In Norway, such vehicles already account for approximately 20 % of all new cars sold. Since these vehicles emit negligible noise related to the power-train, the tyre/road noise is the dominating noise source. In the LEO project, tyres designed for such cars have...
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Accurate Modeling of Frequency Selective Surfaces Using Fully-Connected Regression Model with Automated Architecture Determination and Parameter Selection Based on Bayesian Optimization
PublicationSurrogate modeling has become an important tool in the design of high-frequency structures. Although full-wave electromagnetic (EM) simulation tools provide an accurate account for the circuit characteristics and performance, they entail considerable computational expenditures. Replacing EM analysis by fast surrogates provides a way to accelerate the design procedures. Unfortunately, modeling of microwave passives is a challenging...
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Fractal dimension for bending–torsion fatigue fracture characterisation
PublicationFracture surfaces after biaxial fatigue tests were compared using fractal dimension for three types of metallic materials in smooth and notched specimens made of S355J2 and 10HNAP steels and 2017-T4 aluminium alloy, considering both proportional and nonproportional cyclic loading. High-resolution optical 3D measurement studies were performed on the entire fracture surface. A direct correlation between fractal dimension and fatigue...
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Problems of Flaking in Strengthening Shaft Burnishing
PublicationThe article presents the results of testing the surface condition of shafts manufactured by a strengthening rolling burnishing process. The shafts with a hardness about 220 HB were burnished with a roller with different force. Researches were carried out with particular attention to the structure of the outflowing material in the tool zone during burnishing process. The article presents the results of the examinations of burnished...
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A study of the influence of synthesis parameters on the physicochemical properties of iron pigments produced from waste iron sulfate
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Inwestycje w surowce w połączeniu z polskim rynkiem kapitałowym, analiza ryzyka i efektywności
PublicationW artykule przedstawiono główne kategorie i rodzaje inwestycji w surowce. Cel opracowania to zbadanie czy inwestycja w Warszawski Indeks Giełdowy stanowi główny składnik optymalnego tj. cechującego się minimalnym ryzykiem portfela inwestycyjnego. Ponadto ustalono czy wspomniana inwestycja tradycyjna stanowi najważniejszy element portfela inwestycyjnego odznaczającego się najwyższą efektywnością. Stwierdzono, że wszystkie z 29 analizowanych...
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Medium-sized cyclic bis(anisylphosphonothioyl)- disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions
PublicationCyclic 8-, 9-, 10-, and 12-membered bis(anisylphosphonothioyl)disulfanes were synthesized. Next, structurally related 7 to 9-membered cis and trans sulfanes were isolated as a result of sulfur atom extrusion from the parent cyclic disulfanes. The results of the desulfurization of the disulfanes were compared to the results obtained for desulfurization of the respective bis(anisylphosphodithioates). Cyclic disulfanes predominantly...
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Qualification of brazing procedure for furnace brazing of austenitic steel according to requirements of the ASME BPVC section IX
PublicationThe article presents the procedure for qualifying brazing technology in a vacuum furnace on the example of stainless steel elements joined with copper filler material from the F-No group. 105, in accordance with the ASME Sec. IX, part QB (ASME Boiler and Pressure Vessel Code. Qualification Standard for Welding, Brazing and Fusing; Procedures; Welders; Brazers; and Welding, Brazing and Fusing Operators). The essential variables...
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Equations of tribological parameters for liquid flow in boundary layer on the tissue surface in bioreactor = Wyznaczanie parametrów tribologicznych dla przepływu cieczy w warstwie granicznej na powierzchni tkanki w bioreaktorze
PublicationW niniejszej pracy przedstawiony został problem tribologiczny wynikający z przepływu nieustalonego odżywczej cieczy lepkiej w cienkiej warstwie przyściennej w bezpośrednim kontakcie z zewnętrzną powierzchnią warstwy wierzchniej wzrastających komórek (chondrocytów) w trakcie procesu ich hodowli w bioreaktorze. Efektem rozważań będą wartości sił tarcia powstające na powierzchni wzrastającej tkanki. Najnowsze badania wykazały lepszą...
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Toward Mechanosynthesis of diamondoid structures: III. Quantum-chemical study of silylene molecule and silicon atom transfer mechanism from caped SWCNT tip to the reaction center on a hydrogenated Si(111) surface
PublicationOpublikowana wcześniej (Modelling Simul. Mater. Sci. Eng., Vol. 7, 1999, pp. 43-58) strategia mechanosyntezy struktur krzemu na uwodornionej płaszczyźnie Si(111) została poszerzona poprzez uwzględnienie ostrza w postaci zamkniętej SWCNT jako urządzenia kontrolującego położenie cząsteczki sililenu oraz atomu krzemu.
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Exsolution of Ni nanoparticles on the surface of cerium and nickel co-doped lanthanum strontium titanate as a new anodic layer for DIR-SOFC. Anti-coking potential and H2S poisoning resistance of the prepared material
PublicationThe aim of this study was to evaluate a new catalytic material for biogas fueled DIR-SOFC. This material was a perovskite-type SrTiO3 doped with La, Ce and Ni of a general formula La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-σ (LSCNT). Additional preparation steps were undertaken to promote a nickel exsolution process. Heat post-treatment of powders in a humidified H2 resulted in an intensive growth of nickel nanoparticles (NPs) while the temperature...
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Comments to the article by Ramos et al. ‘Collision avoidance on maritime autonomous surface ships: Operators’ tasks and human failure events’ (Safety Science Vol. 116, July 2019, pp. 33–44)
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Modelling and optimisation of MXene-derived TiO2/Ti3C2 synthesis parameters using Response Surface Methodology based on the Box–Behnken factorial design. Enhanced carbamazepine degradation by the Cu-modified TiO2/Ti3C2 photocatalyst
PublicationIn the present study, a hydrothermal method in a water/ethanol environment was used for the first time to obtain novel Cu/TiO2/Ti3C2 composites with high photocatalytic activity for the degradation of carbamazepine (CBZ) under simulated solar light. The Box–Behnken factorial design was coupled with Response Surface Methodology (RSM) for synthesis parameter optimisation. The effect of different synthesis parameters, including temperature, time...
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A comparison of structural and luminescence properties of lead(II) coordination polymers with isomeric thiophenecarboxylate ligands
PublicationTwo new lead(II) coordination polymers with isomeric thiophenecarboxylates, namely [Pb(2tpCOO)2]n (1) and [Pb(3tpCOO)2(H2O)]n (2) (2tpCOO− = thiophene-2-carboxylate, 3tpCOO− = thiophene-3-carboxylate), were synthesized and characterized. Single crystal X-ray crystallography revealed a distorted pentagonal pyramidal geometry {PbO6} around Pb in 1 and a distorted dodecahedral geometry {PbO8} in 2. The distortion derived from the...
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HOW EFFICIENT IS NOISE LABELING OF TIRES?
PublicationSince 2012 all new tires in Europe must be labeled. The label contains general information about tire performance concerning rolling resistance (that corresponds to fuel economy), noise emission and wet grip (only for passenger car tires). Measurements of noise performance of tires must be performed according to the Annex 3 of the Regulation No 117 of the Economic Commission for Europe of the United Nations. The regulation specifies...
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Effect of bending-torsion on fracture and fatigue life for 18Ni300 steel specimens produced by SLM
PublicationIn this study, different fracture surfaces caused by fatigue failure were generated from 18Ni300 steel produced by selective laser melting (SLM). Hollow round bars with a transverse hole were tested under bending-torsion to investigate the crack initiation mechanisms and fatigue life. Next, the post-failure fracture surfaces were examined by optical profilometer and scanning electron microscope. The focus is placed on the relationship...
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The determinants of morphology and properties of the nanohydroxyapatite coating deposited on the Ti13Zr13Nb alloy by electrophoretic techniqe
PublicationThe titanium and its alloys belong at present to the most preferred and commonly applied biomaterials for load- bearing implants. The surfaces of biomaterials are subjected to modification, including the hydroxyapatite coatings deposited in order to ensure corrosion resistance and better joining between an implant and a bone through the possibility of ingrowth bone into the coating. In this paper, the morphology and properties...
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Wpływ nadtapiania laserowego w warunkach kriogenicznych na strukturę warstwy wierzchniej stopu Ti-6Al-4V = Effect of laser melting at cryogenic conditions on structure of the surface layer of the Ti-6Al-4V alloy
PublicationWykonano nadtapianie laserowe stopu Ti-6Al-4V zanurzonego w środowisku ciekłego azotu. Badania mikroskopowe wykazały znaczący wpływ parametrów nadtapiania na grubość, mikrostrukturę i mikrotwardośc warstwy wierzchniej.
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Pomiary naprężeń w warstwie wierzchniej stali duplex metodą dyfrakcji promieniowania rentgenowskiego g-sin2Ψ = Residual stress measurements in duplex steel surface layers by g-sin2Ψ x-ray diffraction method
PublicationPrzedstawiono wyniki pomiarów naprężeń w warstwie wierzchniej z wykorzystaniem metody dyfrakcji promieniowania rentgenowskiego g-sin2. Wyjaśniono zasady przeprowadzania pomiarów naprężeń na próbkach walcowych o małej średnicy. Badania prowadzono na próbkach okrągłych ze stali duplex, poddanych procesom nagniatania. Stwierdzono występowanie naprężeń ściskających w warstwach powierzchniowych wszystkich badanych próbek oraz istotne...
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Method of Monitoring of the Grinding Process with Lapping Kinematics Using Audible Sound Analysis
PublicationUtilising microphones as audible sound sensors for monitoring a single-side grinding process with lapping kinematics is presented in the paper. The audible sound generated during grinding depended on the cutting properties of electroplated tools with D107 diamond grains and different thicknesses of the nickel bond. The tool wear affected the obtained technological effects such as material removal rate and the surface roughness...
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Fractographic-fractal dimension correlation with crack initiation and fatigue life for notched aluminium alloys under bending load
PublicationIn this study, fatigue fracture surfaces of aluminium alloy 2017-T4 notched specimens were investigated under cyclic bending to find an alternative failure loading index.. The surface topographies were measured on the entire fracture area with an optical profilometer for different loading conditions. Fatigue crack initiation life Ni and total fatigue life Nf were examined using standard surface topography parameters (such as, root...