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Search results for: TRANSITION METAL COMPLEXES
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On the fast BSS transition algorithms in the IEEE 802.11r local area wireless networks
PublicationHandover performance is critical to support multimedia services that are becoming increasingly available over the wireless devices. The high transition delay can be unaccepted for such services or can be a source of disruption on the session. On the other side, IEEE 802.11 standard is being extended with new functionalities. Security and QoS features, included in recent IEEE 802.11-2007 standard, add management frames that are...
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Probing the Magnetic Anisotropy of Co(II) Complexes Featuring Redox-Active Ligands
PublicationCoordination complexes that possess large magnetic anisotropy (otherwise known as zero-field splitting, ZFS) have possible applications in the field of magnetic materials, including single molecule magnets (SMMs). Previous studies have explored the role of coordination number and geometry in controlling the magnetic anisotropy and SMM behavior of high-spin (S = 3/2) Co(II) complexes. Building upon these efforts, the present work...
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Group 11 complexes with a phosphanylphosphaalkene ligand: preparation and stability study
PublicationThe reactivities of two selected phosphanylphosphaalkenes, Ph2C=P-PtBu2 (1a) and (p-MeO-Ph)2C=P-PtBu2 (1b), toward CuCl, AgCl and (tht)AuCl (tht = tetrahydrothiophene) were investigated. As a result, new phosphanylphosphaalkene dimeric and monomeric complexes were formed (Cu and Ag dimeric and Au monomeric). All obtained products were air and moisture stable and light insensitive.
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Anticancer Study on IrIII and RhIII Half-Sandwich Complexes with the Bipyridylsulfonamide Ligand
PublicationTwo non-platinum compounds, organometallic half-sandwich complexes [(η 5 -Cp)IrCl(L)]PF 6 (1) and [(η 5 -Cp)RhCl(L)]PF 6 (2) were prepared by treating pentamethylcyclopentadienyl chloride dimers of iridium(III) or rhodium(III) with the obtained 4-amino-N-(2,2'-bipyridin-5- yl)benzenesulfonamide ligand (L) and ammonium hexafluorophosphate. The crystal structures of ligand (L) and complexes 1 and 2 were obtained and then analyzed. Coordination...
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Quasirelativistic potential energy curves and transition dipole moments of NaRb
PublicationWe report on extensive calculations of quasi-relativistic potential energy curves and, for the first time, transition dipole moments including spin-orbit and scalar-relativistic effects of the NaRb molecule. The calculated curves of the 0+, 0-, 1, 2 and 3 molecular states correlate for large internuclear separation with the fourteen lowest atomic energies up to the Na(3s ^2S_{1/2}) + Rb(7s ^2S_{1/2}) atomic limit. Several new features...
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Formation of polyphosphorus ligands mediated by zirconium and hafnium complexes
PublicationThe reactions of R2P–P(SiMe3)Li (R = tBu, iPr, iPr2N) with [Cp2MCl2] (M = Zr, Hf), [Cp∗CpZrCl2] and [CpZrCl3] yielded polyphosphorus (mainly hexaphosphorus) compounds which can be viewed as intermediates between R2P–P(SiMe3)Li and derivatives of 1,2,3,4-tetraphosphabicyclo[1.1.0] butane. Thus R2P–P(SiMe3)Li can act as a building block for the formation of the P2 ligand and the R2P–P(P2) and R2P–P(P2)P–PR2 moieties. Solid state...
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Heteroleptic tri-tert-butoxysilanethiolate complexes of manganese(II) - thermal studies
PublicationThe thermal behavior of Mn(II) silanethiolate series [Mn(SR)2L(MeOH)n], where R=SSi(OBut)3, L=heterocyclic nitrogen base and n=0, 1 or 2 has been comparatively investigated using differential scanning calorimetry (DSC), thermogravimetry (TG) and TG-infrared spectoscopy (IR) techniques. The TG curves indicate the differences in the thermal decomposition due to presence of distinct N-donor ligands and labile MeOH molecules coordinated...
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Transition dipole moment functions of the KRb molecule
Open Research DataElectronic transition dipole moment functions (TDMF) have been calculated for the singlet (s) and triplet (t) Sigma+ (S+), Pi (P), and Delta (D) electronic states of the KRb molecule. TDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the transition dipole moments...
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Electrical Transport and Magnetic Properties of Metal/Metal Oxide/Metal Junctions Based on Anodized Metal Oxides
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Electrical Transport and Magnetic Properties of Metal/Metal Oxide/Metal Junctions Based on Anodized Metal Oxides
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublicationAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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Silver complexes stabilized by large silanethiolate ligands – crystal structures and luminescence properties
PublicationBulky silanethiolate and disiladithiolate ligands were applied to synthesize one mononuclear and three trinuclear silver complexes including two cyclic “microclusters” and a linear tri-nuclear silanethiolate complex. All obtained compounds are characterized by X-ray diffraction and FT-IR. NMR and emission spectroscopies were used where possible. The first trinuclear anionic silver thiolate is structurally characterized. The influence...
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Carbonized Metal-Organic Frameworks-based strucutres with aluminium, phosphorus and nitrogen
Open Research DataThe dataset includes Raman spectra of carbonized Metal-Organic Frameworks (MOF) [acquired on Renishaw] and electrochemical properties of the materials [acquired on EC Lab], which includes techniques such as Linear Sweep Voltammetry (LCV), Electrochemical Impedance Spectroscopy (EIS), Taffel slope and Chronopotentiometry (CP).
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First Copper(I) and Silver(I) Complexes Containing Phosphanylphosphido Ligands
PublicationThree new complexes with phosphanylphosphido ligands, [Cu4{μ2-P(SiMe3)-PtBu}4](1), [Ag4{μ2-P(SiMe3)-PtBu2}4](2) and [Cu{η1-P(SiMe3)-PiPr2}2]–[Li(Diglyme)2] (3) were synthesized and structurally characterized by X-ray diffraction, NMR spectroscopy, and elemental analysis. Complexes 1 and 2 were obtained in the reactionsof lithium derivative of diphosphane tBu2P-P(SiMe3)Li·2.7THF withCuCl and [iBu3PAgCl]4, respectively....
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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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Experimental comparison of the transition speed of a hydrodynamic journal bearing lubricated with oil and magnetorheological fluid
PublicationA journal bearing test bench is used to find the transition speed between the hydrodynamic and mixed lubrication regimes for a modified magnetorheological (MR) fluid. It is shown that the transition speed of the bearing can be reduced by applying a local magnetic field near minimum film when it is lubricated with the MR fluid, and that this will only marginally increase friction. The lubricating performance of the MR fluid is compared...
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Syntheses and structures of the first terminal phosphanylphosphido complexes of molybdenum(IV)
PublicationThe reactions of R2P-P(SiMe3)Li (R = tBu, iPr2N) with [Cp2MoCl2] yield terminal phosphanylphosphido complexes formally via the insertion of the phosphinidene P-atom into the C - H bond of a cyclopentadienyl ring and the migration of the hydrogen atom or SiMe3 moiety to the molybdenum centre. Solid state structures of [Cp(C5H4P-PtBu2)MoH], [Cp(C5H4P-PtBu2)Mo(SiMe3)] and [Cp{C5H4P-P(NiPr2)2}Mo(SiMe3)] were established by single crystal...
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NOBLE METAL MODIFIED TiO2 FOR PHOTOCATALYTIC AIR PURIFICATION
PublicationTiO2 was surface modified with silver, gold, palladium and platinum ion clusters to improve its photocatalytic activity. The effect of metal content, the kind of dopant used during preparation procedure on the photoactivity were investigated. in toluene removal which was used as a model volatile organic compound. Toluene, at the concentration of about 100 ppm, was irradiated over noble metal modified TiO2 using light-emitting diodes...
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The viscometric evaluation of the gelation rate the chitosan-metal oxide hydrogel systems.
Open Research DataThe dataset shows the change in the viscosity of a hydrogel medium over time. Viscometric measurement was used as a universal method for determining the cross-linking rate of chitosan hydrogel using metal oxides or other solutions with a negative net charge. The method was prepared as a method of predicting the kinetics of additive manufacturing using...
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Assestment of the anti-cancer activity of the copper complexes with imidazole and pivalato ligands
PublicationDespite the development of science and technology progress so far there have not been found effective drugs for cancer. Many coordination compounds were investigated due to their antitumor potential. The most known cis-diamminedichloroplatinum(II) is used as anti-cancer therapeutic agent. The copper complexes are the coordination compounds possessing anti-tumour properties. Their capability to kill cancer cells is mainly linked...
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Aggregation properties of some zirconium phosphate loaded with dirhenium(III) complexes
PublicationOne of the important areas of modern science is the selection of the right forms of drug delivery. Layered inorganic nanoparticles, such as zirconium phosphate, have proven themselves well in this area. The study of the properties of these systems and methods of their preparation makes it possible to determine a rational technology of their manufacture, storage conditions as well as suggest a possible mechanism of therapeutic action....
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Studies of the mechanism of metal metal dusting of 10CrMo9-10 steel after 10 years of operation in trhe semi-regenerative catalytic reformer
PublicationThe study showed that metal dusting mechanism of 10CrMo9-10 steel operated in industrial environment differs from models developed in laboratories. Significant differences lie in the fact that the models developed in laboratories only assume the formation of metastable carbide M3C, while studies have shown that the formation of M3C carbides is associated with the transformation of primary carbides and in the next stage is preceded...
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Analytical studies on ascosin, candicidin and levorin multicomponent antifungal antibiotic complexes. The stereostructure of ascosin A2
PublicationIn the class of polyene macrolides, there is a subgroup of aromatic heptaenes, which exhibit the highest antifungal activity within this type of antibiotics. Yet, due to their complex nature, aromatic heptaenes were not extensively studied and their potential as drugs is currently underexploited. Moreover, there are many inconsistencies in the literature regarding the composition and the structures of the individual components...
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Targ Węglowy as the keystone of two ring road complexes of Gdańsk city centre
PublicationThe urban structure of Gdansk city centre is determined by two ring road complexes. The first of them, the Gdansk Ring, has been created as a result of a city defortification at the turn of the 19th and 20th centuries and has been destroyed in the end of World War Two with the rest of Gdansk. The second, the Main Town Green Belt, has been formed in place of the medieval fortification system of the city’s most important historical...
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Accelerating the transition to clean and healthy Baltic Sea
EventsWebinarium poświęcone działaniom na rzecz czystego i zdrowego Morza Bałtyckiego, gdzie zostaną pokazane projekty realizowane przez naukowców z PG w ramach centrum EkoTech.
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Membranes for toxic- and heavy-metal removal
PublicationSince time ago, membranes have greatly attracted the attention of researchers for different types of water-treatment applications, such as wastewater treatment, water purification, removal of microorganisms, chemical compounds, and heavy metals. Nowadays, one of the current challenges of research community definitely deals with the removal of toxic and heavy metals from water. In this regard, the current chapter provides enough...
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Low-energy electron scattering from molecular hydrogen: Excitation of the X1Σg+ to b3Σu+ transition
PublicationWe present time-of-flight differential cross-section measurements and convergent close-coupling calculations of differential cross sections for the electron-impact excitation of the X 1 g + → b 3 u + transition in molecular hydrogen. A part of this work was recently published [M. Zawadzki et al., Phys. Rev. A 97, 050702(R) (2018)]. In this work, agreement between theory and experiment is excellent overall, and marks a transition...
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Directions of Energy Transition of Uzbekistan
PublicationThe aim of the paper is to present the changes in the Uzbekistan energy market over the past few years. Uzbekistan is self-sufficient in terms of energy resources, the exploitation of which will last for many years. In 2019, the government adopted the "Concept Note ensuring electricity supply in Uzbekistan in 2020-2030" strategy, which announced the modernization of gas and coal power plants and the construction of new energy facilities,...
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Potential energy curves, transition and permanent dipole moments of KRb
PublicationWe present extensive calculations of 48 adiabatic potential energy curves of the KRb molecule. Efforts have been focused on preparing the appropriate basis sets. Compared to previous approaches, the set of new potential energy curves is extended to higher excitations, including the single-excited K(4s2S)+Rb(5d2D) and double-excited K(4p2P)+Rb(5p2P) atomic limits. Larger distances between nuclei are also taken into account. New...
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Metal Music Studies
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Metal Powder Report
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Assessment of hydrogenation of deposited metal of P 62 MR covered electrodes
PublicationThe determination of diffusible hydrogen content in deposited metal of P 62 MR covered electrodes for manual metal arc welding by mercury method was carried out. The test results indicate that covered electrodes 62 P MR grade generate a mean of 4.02 ml/100g of diffusible hydrogen in deposited metal, which is consistent with H5 class.
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Histaminol and Its Complexes with Copper(II) - Studies in Solid State and Solution
PublicationHistaminol [4(5)-(B-hydroxyethyl)imidazole, 4-(1H-imidazol-2-yl)ethanol, L] is an analogue of histamine and its minor metabolite. So far its properties have not been studied in detail due to the synthetic difficulties. Here, the structure and acid-base properties of histaminol, as well as the results of studies on its copper(II) complexes in solid state and aqueous solution are reported. Stability constants of the histaminol–CuII...
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X-ray and UV Radiation Damage of dsDNA/Protein Complexes
PublicationRadiation and photodynamic therapies are used for cancer treatment by targeting DNA. However, efficiency is limited due to physico-chemical processes and the insensitivity of native nucleobases to damage. Thus, incorporation of radio- and photosensitizers into these therapies should increase both efficacy and the yield of DNA damage. To date, studies of sensitization processes have been performed on simple model systems, e.g.,...
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The unstable thermoelectric effect in non-stoichiometric Cu2Se during the non-equilibrium phase transition
PublicationThe superionic α ↔ β phase transition in Cu1.96Se thermoelectric material is investigated by means of thermal analysis (DSC) and measurements of Seebeck coefficient and electrical conductivity. Results of the DSC measurements with 1–10 K/min heating and cooling rates show that the material is close to the equilibrium phase composition during the transformation. However, the kinetic limitation of the process exists, which is indicated...
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The 2p XPS spectra of transition metals in Ce0.9M0.1O2
Open Research DataThe dataset consists of 2p XPS spectra of transition metals in Ce0.9M0.1O2 where (M=Mn, Fe, Co, Ni, Cu). X-ray Photoelectron Spectroscopy analysis (XPS) was performed using X-ray photoelectron spectrometer Omnicron NanoTechnology with 128-channel collector. XPS measurements were undertaken in ultra-high vacuum conditions, below 1.1x10-8 mbar. Photoelectrons...
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The Effect of Welding Conditions on Diffusible Hydrogen Content in Deposited Metal
PublicationThe article presents the results of a literature survey and preliminary tests which set out effects of welding conditions on the amount of diffusible hydrogen in deposited metal. Experiments were conducted by using rutile coated electrodes which generate high contents of diffusible hydrogen in deposited metal. The amount of diffusible hydrogen was determined by a glycerin test.Eleven factors were considered: the electrode angle,...
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Detailed investigation of the phase transition inKxP4W8O32and experimental arguments for a charge density wave due to hidden nesting
PublicationDetailed structural and magnetotransport properties of monophosphate tungsten bronze Kx(PO2)4(WO3)8 single crystals are reported. Both galvanomagnetic and thermal properties are shown to be consistent with a charge density wave electronic transition due to hidden nesting of the quasi-1D portion of the Fermi surface. We also observe the enhancement of electronic anisotropy due to reconstruction of the Fermi surface at the Peierls...
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublicationThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...
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Reactivity of Diimido Complexes of Molybdenum and Tungsten towards Lithium Derivatives of Diphosphanes and Triphosphanes
PublicationThe reaction of R2P–P(SiMe3)Li (R = tBu, iPr) with the diimido molybdenum complex [(ArN)2MoCl2·dme] (Ar = 2,6-iPr2C6H3; dme = 1,2-dimethoxyethane) yielded the side-oncoordinated phosphanylphosphinidene anionic complexes [(2,6-iPr2C6H3N)2Mo(Cl)(η2-P=PR2)]– (7Mo, 8Mo). The thermal decomposition of [(2,6-iPr2C6H3N)2M(Cl)(η2-P=PR2)]–[M = Mo (7Mo), W (8W)] to [(2,6-iPr2C6H3N)2M(Cl)(1,2-η-tBu2P=P–PtBu2)] [M = Mo (3Mo), W (3W)] was investigated...
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Integrating Art into Places in Transition - Rose Kennedy Greenway in Boston as a Case Study
PublicationAmong the many projects realized in public spaces, some are truly unique – and these are the ones that build the identity of a place. The aim of this paper is to examine how integrating art and cultural strategies into public space can enhance and reinforce the sense of a place. Particular attention is devoted to urban spaces that we call “places in transition”, where public art improves the city’s imaginative capacity, enlivens...
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Metal-Organic Framework (MOF)/Epoxy Coatings: A Review
PublicationEpoxy coatings are developing fast in order to meet the requirements of advanced materials and systems. Progress in nanomaterial science and technology has opened a new era of engineering for tailoring the bulk and surface properties of organic coatings, e.g., adhesion to the substrate, anti-corrosion, mechanical, flame-retardant, and self-healing characteristics. Metal-organic frameworks (MOFs), a subclass of coordinative polymers...
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Styrene Oxidation by Copper(II) Complexes Salen-Type Encapsulated into Nay Zeolite
PublicationThe copper(II) complex with a Schiff-base salen-type ligand has been encapsulated in the nanopores of a NaY zeolite by using two different methodologies, the flexible ligand and in situ complex preparation methods. The encapsulated and non-encapsulated copper(II) complexes were screened as catalysts for styrene oxidation by using TBHP as the oxygen source in acetonitrile solvent. Under the optimized conditions, the catalysts exhibited...
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Copper(II) complexes with substituted imidazole and chlorido ligands: X-ray, UV-Vis, magnetic and EPR studies and chemotherapeutic potential
PublicationCrystal structures, UV-Vis and EPR spectra and magnetic properties of four copper(II) complexes with chloride anions and 4-methylimidazole, 2-ethylimidazole, 2-isopropylimidazole or 2-ethyl-4-methylimidazole are described. In the solid state three of the complexes are mononuclear and one complex with 2-ethylimidazole is binuclear with bridging chlorido ions. UV-Vis spectra of the methanolic solutions of the complexes show LMCT...
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Rotation Triggers Nucleotide-Independent Conformational Transition of the Empty β Subunit of F1-ATPase
PublicationF1-ATPase (F1) is the catalytic portion of ATP synthase, a rotary motor protein that couples proton gradients to ATP synthesis. Driven by a proton flux, the F1 asymmetric γ subunit undergoes a stepwise rotation inside the α3β3 headpiece and causes the β subunits’ binding sites to cycle between states of different affinity for nucleotides. These concerted transitions drive the synthesis of ATP from ADP and phosphate. Here, we study...
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Experimental study on the feasibility of alternative materials for tilting pad thrust bearings operating in transition to mixed friction
PublicationIn hydrodynamic bearings traditional bearing alloys: Babbitts and bronzes are most frequently utilized. Polymer sliding layers are sometimes applied as a valuable alternative. Hard diamond-like carbon (DLC) coatings, which are also considered for certain applications may show some advantages, as well. Although material selection is of secondary importance in a full film lubrication regime it becomes important in mixed friction...
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Mixed conductivity in tungstenite-phosphate glasses containing alkali metal ions
PublicationThe conductivity of glasses in the 50WO3-(50-x)P2O5-xA2O (A = Na, K, Cs) system has been investigated as a function of composition. It is shown that in tungstenite-phosphate glasses containing different alkali metal ions the conductivity decreases with an increase in the alkali metal ion content. A decrease in conductivity is larger for heavier ions and reaches more than seven orders of magnitude in the case of glass containing...
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Studies of Transition States and Societies
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Science and Technology for Energy Transition
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Economics of Transition and Institutional Change
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