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Structure and Bonding
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Chalcogen bonding interactions in a series of aromatic selenocyanates
PublicationSelenium atoms in aromatic selenocyanates are characterized by the occurrence of two σ-holes, a stronger one in the prolongation of the NC–Se bond and a weaker one in the prolongation of the Ar–Se bond. The crystal structures of several bis(selenocyanato) derivatives, prepared by a method originally developed for ortho bis-substituted derivatives, illustrate very well this difference, with a short NC–Se⋯NC ChB interaction organizing...
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Influence of compaction effectiveness on interlayer bonding of asphalt layers
PublicationThe paper presents the results of research on the interlayer bonding of asphalt layers compacted in the laboratory and in the field. To measure the interlayer bonding at a temperature of 20°C the Leutner test apparatus was used and load was applied at a rate of 50 mm/minute. Three types of interlayer interfaces were tested: no tack coat and tack coats made of two types of the pure bitumen emulsions. Four compaction techniques were...
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Effect of interlayer bonding quality of asphalt layers on pavement performance
PublicationThe quality of interlayer bonding at the interfaces between the asphalt layers in flexible pavements affects the overall pavement performance. Lack or partial lack of interlayer bonding between asphalt layers can cause pavement's premature failures such as rutting, slippage of the wearing course, cracking or simply a reduction in the calculated fatigue life of the pavement structure. This paper shows the case studies of investigation...
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Cross-Bonding of MV Cable Lines for Energy Losses Decrease
PublicationCurrently, almost all medium voltage cable lines (MV) operate with the return wires earthed at both ends of the cable. Such a way of operation causes that during normal states of operation as well as during disturbances, e.g. short-circuits, in the return wires induce currents whose values mainly depend on the currents flowing in the phase wires. These currents in normal operating states are a source of additional energy losses...
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A new approach to cross-bonding in medium voltage cable lines
PublicationThe medium voltage underground cable sheaths are usually bonded and earthed in every substation on the cable route. This results in additional power losses in the sheaths. The paper presents an idea of reducing power losses caused by sheaths cross-bonding. The idea of sheaths cross-connecting only in selected MV/LV substations is given instead of a typical solution, where sheaths cross-bonding requires installing additional joints...
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Bonding of doxorubicin to nanosilica and human serum albumin in various media
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NMR and MD Analysis of the Bonding Interaction of Vancomycin with Muramyl Pentapeptide
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Nanotubular Ti Oxide Layers for Enhancement of Bone-Implant Bonding and Bioactivity
PublicationAbstrakt artykułu pt. ''Nanotubular Ti Oxide Layers for Enhancement of Bone-Implant Bonding and Bioactivity''. The paper describes techniques to improve the bioactivity of titanium and ehnahnce the bone-implant bonding ability by the electrochemical anodization to fabricate titania nanotubular oxide layer.
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Guided wave propagation for assessment of adhesive bonding between steel and concrete
PublicationAdhesive bonding is becoming more increasingly important in joining of structural elements. In civil engineering, there is a growing interest in connection by adhesive bonding in steel-concrete flexural members. This study concerns the guided wave propagation technique applied to condition assessment of an adhesive connection between a steel member and a concrete beam. Various states of degradation were considered by producing...
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Nanotubular Titanium Oxide Layers for Enhancement of Bone-Implant Bonding and Bioactivity
PublicationThe present paper describes the techniques to improve the bioactivity of titanium and enhance the bone-implant bonding ability by the electrochemical anodization to fabricate titania nanotube arrays (TiO2).
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Interplay of hydrogen bonding and aryl-perfluoroaryl interactions in construction of supramolecular aggregates
PublicationThe stacking between aryl and perfluoroaryl units is an important class of the aromatic – aromatic interactions that has attracted rapidly growing interest in recent years. Continuing interest of our group in this subject it had been prepared three new complexes of pentafluorobenzoic acid with benzyl alcohol, 4-methylbenzyl alcohol and 4-tert-butylbenzyl alcohol and in the next step investigated their self-assembly modes by...
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Two tests for adhesive bonding long term characterization: principles and applications
PublicationThis article describes recent refinement of the traditional wedge test technique used to characterize durability of the adhesive joints. We propose two types of measuring protocols to monitor precisely and continuously the propagation of an "effective" crack during long term mode I fracture mechanic test. First method is directly derived from the traditional wedge test technique and consist in monitoring the surface strain of adherent...
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Bonding interactions in oxydiacetate and thiodiacetate cobalt(II) and nickel(II) complexes
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Crystal structure, chemical bonding, and physical properties of layered AIrSn2 (A = Sr and Ba)
PublicationWe report the experimental and theoretical investigation of structure, chemical bonding interactions, and physical properties of new ternary stannides AIrSn2 (A = Sr and Ba). AIrSn2 (A = Sr and Ba) crystallizes in the orthorhombic Re3B-type structure with the space group Cmcm (No. 64). According to single-crystal X-ray diffraction results, the structure of AIrSn2 (A = Sr and Ba) can be considered as a Zintl-type compound with heterogeneous...
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The Use of Direct Shear Test for Optimization of Interlayer Bonding Under a Poroelastic Layer
PublicationPoroelastic Road Surfaces (PERS) are characterised by porous structure with air void content of 20% or higher and stiffness almost 10 times lower than that of a standard asphalt course. Such properties enable noise reduction by up to 12 dB in comparison to SMA 11 mixture. However, the disadvantage of a poroelastic pavement is its low durability, which partially results from delamination from the lower layer. The paper aims to investigate...
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Intermolecular Hydrogen Bonding Directed by Aryl–Perfluoroaryl π–π Stacking Interactions
PublicationThe crystal structures of five compounds capable of forming self-complementary hydrogen bonds but crystallizing as catemers or creating more complex crystal structures were compared with their complexes prepared by cocrystallization with perfluoroaryl compounds. The results of X-ray diffraction revealed that in all the cases the π–π stacking interactions caused reorganization of hydrogen bonds and induced creation of the expected...
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A chemo-mechano-thermodynamical contact theory for adhesion, friction, and (de)bonding reactions
PublicationThis work presents a self-contained continuum formulation for coupled chemical, mechanical, and thermal contact interactions. The formulation is very general and, hence, admits arbitrary geometry, deformation, and material behavior. All model equations are derived rigorously from the balance laws of mass, momentum, energy, and entropy in the framework of irreversible thermodynamics, thus exposing all the coupling present in the...
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Analysis of coupled coplanar waveguide with ideal bonding wires between ground conductors
PublicationPrzedstawiono zmodyfikowaną analizę sprzężonych linii koplanarnych prowadzącą do uproszczenia procesu modelowania struktur wieloprzewodowych zawierających poprzecznie ułożone względem kierunku propagacji fali mostki dla wyrównania potencjałów na odseparowanych przestrzennie przewodach. Wyniki analizy teoretycznej zweryfikowano doświadczalnie uzyskując potwierdzenie poprawności zastosowanego podejścia.
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Induction of chirality in 4,4'-azopyridine by halogen-bonding interaction with optically active ditopic donors
PublicationOptically active ditopic halogen bond donors bearing two 4-iodotetrafluorophenyl groups were obtained by reaction of chiral diols with iodopentafluorobenzene. Co-crystallization of these donors with anti-4,4′-azopyridine afforded binary complexes containing infinite chains of the alternating component molecules connected by halogen bonds. The solid state CD measurements confirmed that complexation induces optical activity of the...
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Incomplete Cross-Bonding in the MV Line. Experience from the Operation of MV Single Cable Lines
PublicationCable lines are one of the basic components of power systems. Medium and high voltage cables mainly comprise a metallic sheath, which is concentric to the main core conductor. There are several operating schemes of such cable lines, which differ in the place of earthing of sheaths and the possible use of the sheaths and/or conductors crossing. The sheaths cross-bonding is typically done in two places of one cable line section,...
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Interplay between Aryl···Perfluoroaryl and Hydrogen Bonding Interactions in Cocrystals of Pentafluorophenol with Molecules of Trigonal Symmetry
PublicationCocrystals of seven star-shaped triaryl compounds with pentafluorophenol (pfp) were prepared and structurally characterized by the single-crystal X-ray diffraction method. Cocrystallization of pfp with planar (or almost planar) compounds gave six 3:1 molecular complexes with well-defined layered structures. The layers are composed of alternating pfp3 trimers, linked by hydrogen bonding, and triaryl molecules held together in planes...
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Bonding in Phosphanylphosphinidene Complexes of Transition Metals and their Correlation with Structures, 31 P NMR Spectra, and Reactivities
PublicationTheoretical studies of the bonding interactions and most important properties are carried out for isolable phosphanylphosphinidene complexes of transition metals. Three main types of phosphanylphosphinidene complexes are distinguished, based on the way in which the phosphanylphosphinidene ligand bonds to the metal center: (i) side-on complexes of platinum, where the R2Pβ–Pα ligand mimics structural features of free singlet phosphanylphosphinidenes...
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Topochemical, Single‐Crystal‐to‐Single‐Crystal [2+2] Photocycloadditions Driven by Chalcogen‐Bonding Interactions
PublicationThe face-to-face association of (E)-1,2-di(4-pyridyl)ethylene (bpen) molecules into rectangular motifs stabilized for the first time by chalcogen bonding (ChB) interactions is shown to provide photoreactive systems leading to cyclobutane formation through single-crystal-to-single-crystal [2+2] photodimerizations. The chelating chalcogen bond donors are based on original aromatic, ortho-substituted bis(selenocyanato)benzene derivatives...
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Role of nitrogen in evolution of sp2/sp3 bonding and optical band gap in hydrogenated carbon nitride
PublicationDrastic changes in the bonding are found in amorphous hydrogenated carbon nitride (a-CNx:H) film as a function of nitrogen concentration (or N/C ratio). The total C-sp3 fraction and hardness shows a sharp decrease (at N/C = 0.40) whereas optical band gap and resistivity shows a gradual increase as nitrogen concentration increases from 0.07 to 0.58. Raman spectrum of a-CNx:H film is fitted with both Gaussian (integrated intensity...
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Supramolecular Synthesis Based on a Combination of Se···N Secondary Bonding Interactions with Hydrogen and Halogen Bonds
PublicationExamination of the solid state structures of 2,1,3-benzoselenadiazole complexes with hydrogen or halogen bond donors has demonstrated that the 2,1,3-benzoselenadiazole molecules preferably form centrosymmetric dimers with use of [Se–N]2 supramolecular synthon, whereas the two remaining nitrogen atoms not involved in the [Se–N]2 supramolecular interactions can act as acceptors of hydrogen or halogen bonds. Cocrystallization of selenadiazoles...
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Peculiar hydrogen bonding behaviour of water molecules inside the aqueous nanochannels of lyotropic liquid crystals
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Analysis of coplanar-type printed lines including parasitic effects of bonding wires between ground conductors
PublicationW pracy przedstwiono wyniki analizy propagacji sygnałów prostokątnych w strukturach sprzężonych falowodów koplanarnych z uwzględnieniem nieidealności połączeń pomiędzy przewodnikami masy. Wyniki analiz numerycznych dla wybranych struktur linii sprzężonych zweryfikowano pozytywnie w oparciu o rezultaty badań eksperymentalnych prowadzonych technikami czasowymi (TDR/TDT).
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Paternal Postpartum Bonding and Its Predictors in the Early Postpartum Period: Cross-Sectional Study in a Polish Cohort
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Green`s function methods for Mathematical modeling of unidirectional diffusion process in isothermal metals bonding process
PublicationPodano wykorzystanie funkcji Greena w rozwiązaniu matematycznego modelu dyfuzji jednowymiarowej podczas izotermicznego łączenia metali.
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Analysis of Induced Voltages and Power Losses in High Voltage Power Cables for Selected Methods of Cables Sheaths Bonding
PublicationPower is increasingly supplied to city centres with 110 kV cable lines. This is a convenient way to supply power, and practically the only one possible in areas of dense urban development. A high-voltage cable contains a coaxial metallic sheath, in which in normal operation and in fault conditions (during short-circuits) significant line-to-earth voltages can be induced, which threatens electric shock and/or damage to the cable’s...
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The role of hydrogen bonding on tuning hard-soft segments in bio-based thermoplastic poly(ether-urethane)s
PublicationThis work describes the preparation of bio-based thermoplastic poly(ether-urethane)s (TPU) via a prepolymer method and investigates the effect of varying the interphase hydrogen-bonding (H-bonding) on physicochemical, thermal and mechanical properties. This was achieved by varying the glycol type and molar ratio of [NCO]/[OH] groups used during the prepolymer chain extending step. The TPUs’ chemical structure was analyzed by Fourier...
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Weak hydrogen bonding interaction S-H···O=C studied by FT-IR spectroscopy and DFT calculations
PublicationInteractions between the thiolate group of tri-tert-butoxysilanethiol (TBST) and carbonyl group of acetone are studied with the use of FT-IR spectroscopy and DFT calculations.
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Effects of manufacturing and face /core bonding on impact damage in glass/polyester - PVC foam core sandwich panels
PublicationZbadano podatność na inicjację uszkodzeń pod wpływem spadającego obciążenia w konstrukcjach przekładkowych poliestrowo szklanych z rdzeniem z pianki PVC przy dwóch sposobach łączenia okładek z rdzeniem: przy pomocy 2 klejów proponowanych do tego celu przez ich producentów oraz czystej żywicy. Zastosowano oprzyrządowany młot spadowy , określając rozmiar zniszczeń na powierzchni próbki metodą wizualna i ultradźwiękową. Inicjacja...
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Hydrogen bonding part sigma profile of deep eutectic solvents and pure components
Open Research DataThe set includes raw data of hydrogen bonding part sigma profiles of deep eutectic solvents and pure components generated by the ADF COSMO-RS software (SCM, Netherlands).
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Hopping or Tunneling? Tailoring the Electron Transport Mechanisms through Hydrogen Bonding Geometry in the Boron-Doped Diamond Molecular Junctions
PublicationMechanisms of charge transport in molecular junctions involving hydrogen bonds are complex and remain mostly unclear. This study is focused on the elucidation of the electron transfer in a molecular device consisting of two boron-doped diamond interfaces bound with an aromatic linker and a hydrogen bonding surrogating molecule. The projected local density of states (PLODS) analysis coupled with transmission spectra and current−voltage...
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Aryl-perfluoroaryl stacking interactions: hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N'-diaryloxalamides
PublicationOtrzymano kilka struktur supramolekularnych N,N'-diarylooksamidów z silnymi donorami protonów tj. pentafluorofenolem (pfp) i kwasem pentafluorobenzoesowym (pfba), w celu zilustrowania roli współdziałania wiązań wodorowych i oddziaływań pi-elektronowych w tworzeniu uporządkowanych faz stałych. Wprowadzenie do struktury oksamidów objętościowych podstawników arylowych utrudniało tworzenie występujących pomiędzy cząsteczkami oksamidów...
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Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl-perfluoroaryl interactions
PublicationWspółkrystalizacja pentafluorojodobenzenu z metylowymi pochodnymi pirydyny prowadzi do powstania heterodimerów stabilizowanych wiązaniem halogenowym C-I...N, które organizują się w dwuwymiarowe struktury typu brick-wall, utrzymywane oddziaływaniami pi-pi pomiędzy jednostkami arylowymi i perfluoroarylowymi.
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Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N'-bis(2-pyridyl)aryldiamines
PublicationOtrzymano pięć krystalicznych kompleksów fenazyny z N,N'-bis(2-pirydylo)arylodiaminami i N'N'-difenylo-1,4-diamino-benzenem o różnej stechiometrii. Badania struktur tych kompleksów za pomocą metod rentgenograficznych wykazały, że powiązane wiązaniami wodorowymi typu NH...N cząsteczki fenazyny i arylodiamin układają się w stosy, które stabilizowane są poprzez oddziaływaniami typu π-π płaszczyzna-krawędź pierścieni aromatycznych....
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublicationThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Bonding of Molybdenum(V) to Poly(ethylene-co-methacrylic acid) Ionomers from X- and W-Band ESR and IR Spectroscopies
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Novel complexes possessing Hg–(Cl, Br, I)⋯O=C halogen bonding and unusual Hg₂S₂(Br/I)₄ kernel. The usefulness of τ₄′ structural parameter
PublicationOne mononuclear and two binuclear Hg(II) complexes have been synthesized and characterized by X-ray diffraction, ATR IR and Hirshfeld surface analysis. Single-crystal X-ray diffraction showed that binuclear compounds are centrosymmetric and isostructural. All complexes form bifurcated intermolecular N–H···O hydrogen bonds that contribute to a formation of the centrosymmetric dimers. In binuclear complexes, sulfur atoms of thiourea...
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Cooperativity of Halogen- and Chalcogen-Bonding Interactions in the Self-Assembly of 4‑Iodoethynyl- and 4,7-Bis(iodoethynyl)benzo-2,1,3-chalcogenadiazoles: Crystal Structures, Hirshfeld Surface Analyses, and Crystal Lattice Energy Calculations
PublicationSeveral new 4-iodoethynyl- and 4,7-bis- (iodoethynyl)benzo-2,1,3-chalcogenadiazoles were prepared, and a comprehensive analysis of the most prominent secondary bonding interactions responsible for the crystal self-assembly was performed using X-ray diffraction. The presence of both the iodoethynyl and chalcogenadiazole moieties allows an evaluation of the preference of these molecules to aggregate through either chalcogen- or halogen-bonding...
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The Ellenbogen's "Matter as Software" Concept for Quantum Computer Implementation: II Bonding Between the C60 and X@C60 Molecules as Available Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Quantum Computing Devices
PublicationThe binding energy, BE of the X@C60-X@C60 homodimer and the X@C60-Y@C60 heterodimer resulting from the bond formation between the occupied X@C60 MBB and the C60 molecule was studied by means of semiempirical PM7 calculations, where X and Y denote atoms from H to Bi, excluding Tc and lanthanides. All possible combinations of N = 68 guest atoms were considered, which resulted in K = 2346 of different calculated dimers of (X@C60-Y@C60)...
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Piotr Jaskuła dr hab. inż.
PeopleI am a Faculty member (Associate Professor, Highway and Transportation Research Department) at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland).My main research interests include: pavement structures, interlayer bonding, pavement materials, recycling of road pavements, asphalt mixtures, bitumens, construction and maintenance of pavement structures.My lectures at the University include:...
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Zastosowanie specjalnego uziemienia żył powrotnych w liniach kablowych SN
PublicationW artykule porównano metody uziemiania żył powrotnych kabli średniego napięcia. Głównym kryterium oceny poszczególnych rozwiązań było ograniczenie strat w przesyle energii elektrycznej oraz zapewnienie ochrony przeciwprzepięciowej osłon kabli. Na podstawie symulacji kabli zamodelowanych w programie CYMCAP i otrzymanych wyników obciążalności prądowej i strat w linii zaprezentowano metodę krzyżowania żył powrotnych (CB – cross-bonding...
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Induced Sheath Voltages In 110 Kv Power Cables – Case Study
PublicationThe paper considers shock hazard due to induced sheath voltages in 110 kV power cables. Various configurations of the metallic sheaths bonding and earthing (single-point bonding, both-ends bonding, cross-bonding) are analysed. Taking into account shock hazard and ability of the system to power transfer an optimal configuration is proposed.
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Raman spectra for pyrolized natural compounds
Open Research DataThe presented data showcases the results of Raman spectroscopy analysis conducted on pyrolyzed natural compounds both with and without the inclusion of graphene. The study delved into four specific compounds: methylcellulose with lysine (ML), methylcellulose with lysine-graphene composite (MLG), algae (A), and algae-graphene composite (AG). Raman spectra...
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Induced sheath voltages in 110 kV power cables – case study
PublicationThis paper considers electric shock hazard due to induced sheath voltages in 110 kV power cables. The purpose of this paper is to find an optimal configuration of the power cable system, taking into account electric shock hazard and ability of the system to transfer maximal power. A computer simulations on a computer model of the local power system, comprising high voltage power cables, were carried out. This model enables to analyse...
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Sczepność międzywarstwowa w nowobudowanych nawierzchniach w Polsce
PublicationW artykule przedstawiono analizę wyników badań sczepności międzywarstwowej warstw asfaltowych przeprowadzonych na podstawie danych z monitoringu właściwości fizyko-mechanicznych warstw asfaltowych z lat 2012-2013. Monitoring prowadziły Laboratoria Drogowe oddziałów GDDKiA w ramach własnych badań kontrolnych podczas realizowanych inwestycji. Analizie poddano 7043 wyników badań sczepności międzywarstwowej badanych próbek, odwierconych...