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Search results for: DENSITY
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Atmospheric degradation mechanism of anthracene initiated by OH•: A DFT prediction
PublicationDensity functional theory (DFT) calculations at the M06-2X/def2-TZVP level have been employed to investigate the atmospheric oxidation mechanism of anthracene (ANT) initiated by HO•. Direct hydrogen atom abstraction from the ANT using HO• takes place hardly at ambient conditions while the addition of HO• to the C1, C2, and C4 sites are thermodynamically and kinetically more advantageous. The addition reactions are controlled by...
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A Novel Ru(II) Polypyridine Black Dye Investigated by Resonance Raman Spectroscopy and TDDFT Calculations
PublicationThe optical properties of a new(bipyridine)2Ru(4H-imidazole) complex presenting a remarkablebroad absorption in the visible range are investigated. Thestrong overlap of the absorption with the solar radiationspectrum renders the studied complex promising as a blackabsorber and hence as a starting structure for applications inthe field of dye-sensitized solar cells. The correlations betweenstructural and electronic features for...
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Anodic titania nanotubes decorated with gold nanoparticles produced by laser-induced dewetting of thin metallic films
PublicationHerein, we combine titania layers with gold species in a laser-supported process and report a substantial change of properties of the resulting heterostructures depending on the major processing parameters. Electrodes were fabricated via an anodisation process complemented with calcination to ensure a crystalline phase, and followed by magnetron sputtering of metallic films. The obtained TiO2 nanotubes with deposited thin (5, 10...
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Metal-organic frameworks (MOF) based heat transfer: A comprehensive review
PublicationHigher than a standard level, the humidity provides a suitable environment for the pathogenic microorganisms to grow and increases energy consumption for cooling, increasing greenhouse gas emissions. Desiccant air-conditioning (DAC) is an effective method to reduce humidity and energy simultaneously. Conventional desiccants are not suitable for use as a desiccant in building air conditioners, mainly because of high regeneration...
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Towards Carbon Neutral Settlements. The Importance of Early-Stage Urban and Energetic Optimizations
PublicationThe aim of the research was to verify the essence of interdisciplinary energy optimizations in earlystage urban design process. A further aim was to the find most optimal design variant and scenario in terms of urban energy efficiency for the future development in Nowy Port, located in Gdansk, Poland - a place requiring complex revitalization. The research combined qualitative and quantitative approaches; an urban design layer...
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Effects of Noncontact Shoulder Tool Velocities on Friction Stir Joining of Polyamide 6 (PA6)
PublicationIn this study, the effects of the traverse and rotational velocities of the noncontact shoulder tool on the heat generation and heated flux during the friction stir joining of high-density polyamide 6 (PA6) polymer were investigated. The computational fluid dynamics (CFD) method was employed to simulate the thermomechanical phenomena during the friction stir joining (FSJ) process of PA6. A developed model was used to consider the...
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Linking optical and electronic properties to photoresponse of heterojunctions based on titania nanotubes and chromium, molybdenum, and tungsten oxides
PublicationThe development of photosensitization strategies for titanium dioxide is necessary for the enhancement of its optical and electronic properties towards its application potential in solar photoelectrochemistry. In this work, significant differences in the photosensitizing capability of the 6th group transition metal oxides applied on the surface of titania nanotubes are reported. For the first time, correlations between the experimentally...
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Deep eutectic solvents – based green absorbents for effective volatile organochlorine compounds removal from biogas
PublicationVolatile organochlorine compounds (VOXs) presented in biogas can cause many technological and environmental problems. During the combustion of biogas containing VOXs, the corrosion of installation, as well as the formation of toxic by-products (polyhalogenated dioxins and furans) and further emission to the atmosphere, may occur. Therefore, in this study, a new procedure based on physical absorption was developed. In order to meet...
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Preparation of Well-Compatibilized PP/PC Blends and Foams Thereof
PublicationThe performance of polypropylene-poly(ethylene brassylate) block and graft copolymers and a polypropylene-polycaprolactone graft copolymer as compatibilizers for polypropylene-rich polypropylene/bisphenol A polycarbonate (PP/PC, 80/20 wt/wt) blends was elucidated. The copolymers were synthesized either by metal-catalyzed ring-opening polymerization or transesterification of a presynthesized polyester, initiated by hydroxyl-functionalized...
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Boron-Doped Diamond/GaN Heterojunction—The Influence of the Low-Temperature Deposition
PublicationWe report a method of growing a boron-doped diamond film by plasma-assisted chemical vapour deposition utilizing a pre-treatment of GaN substrate to give a high density of nucleation. CVD diamond was deposited on GaN substrate grown epitaxially via the molecular-beam epitaxy process. To obtain a continuous diamond film with the presence of well-developed grains, the GaN substrates are exposed to hydrogen plasma prior to deposition....
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Adsorption onto zeolites: molecular perspective
Publication2D minerals are among key elements of advanced systems, but the need for understanding their interactions/reactions with materials and systems in which they are involved necessitates tracking their molecular and atomic monitoring. Zeolitic structures are microporous materials formed in the nature through volcanic activities or synthesis. Because of their outstanding physicochemical properties like cation exchange capacity and excellent...
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Hydrophobic deep eutectic solvents in microextraction techniques–A review
PublicationOver the past decade, deep eutectic solvents (DES) have been widely studied and applied in sample preparation techniques. Until recently, most of the synthesized DES were hydrophilic, which prevented their use in the extraction of aqueous samples. However, after 2015 studies on the synthesis and application of hydrophobic deep eutectic solvents (HDES) has rapidly expanded. Due to unique properties of HDES i.e. density, viscosity,...
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Liquefaction of alder wood as the source of renewable and sustainable polyols for preparation of polyurethane resins
PublicationLiquefaction of wood-based biomass gives different polyol properties depending on the reagents used. In this article, alder wood sawdust was liquefied with glycerol and poly(ethylene glycol) solvents. Liquefaction reactions were carried out at temperatures of 120, 150 and 170 °C. The obtained bio-polyols were analyzed in order to establish the process efficiency, hydroxyl number, acid value, viscosity and structural characteristics...
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Synthesis, spectroscopy and computational studies of some biologically important hydroxyhaloquinolines and their novel derivatives
PublicationA series crystalline compounds of methyl and phosphinyl derivatives of 2-methylquinolin-8-ol (1a) and related 5,7-dichloro-2-methylquinolin-8-ol (1b) were quantitatively prepared and characterized by microanalysis, IR, UV-vis and multinuclear NMR spectroscopy. Five of them have been characterized by single crystal X-ray diffraction method. The known compounds, 8-methoxy-2-methylquinoline (2a) and 8-methoxyquinoline (2d), were synthesised...
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Origin and fate of nanoparticles in marine water – Preliminary results
PublicationThe number, morphology and elemental composition of nanoparticles (<100 nm) in marine water was investigated using Variable Pressure Scanning Electron Microscopy (VP-SEM) and Energy-dispersive X-ray spectroscopy (EDS). Preliminary research conducted in the Baltic Sea showed that the number of nanoparticles in seawater varied from undetectable to 380 (x102) cm-3. Wind mixing and density barriers (thermocline) had a significant impact...
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Oxidation and hydrogen behavior in Zr-2Mn alloy
PublicationThe purpose of the present research was to determine the oxidation and hydrogenation behavior in the new Zr-2Mn alloy. The oxidation of alloy was performed at temperatures between 350°C and 900°C for 30 minutes. The hydrogen charging was made for 72 h at a current density 80 mA/cm2. The charged samples were heat treated at 400°C for 4 h to obtain a uniform hydrogen profile content across the sample. The oxidation resulted in an...
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Tuning of the Electrochemical Properties of Transparent Fluorine-doped Tin Oxide Electrodes by Microwave Pulsed-plasma Polymerized Allylamine
PublicationWe report here the dry, one-step, and low-temperature modification of FTO surfaces using pulsed plasma polymerization of allylamine (PPAAm). PPAAm/FTO surfaces were characterized by X-ray photoelectron spectroscopy, spectroscopic ellipsometry, and contact angles to understand the morphological, structural, and optical properties. FTO were coated with a very thin layer of adherent cross-linked, pinhole-, and additive-free allylamine...
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In situ study of a composition of outlet gases from biogas fuelled Solid Oxide Fuel Cell performed by the Fourier Transform Infrared Spectroscopy
PublicationThe purpose of this study was to develop a method and software based on the Fourier Transform Infrared Spectroscopy for the in-situ, quantitative analysis of the composition of outlet gases from Solid Oxide Fuel Cell (SOFC). The calibration procedure performed at the beginning of the experiment indicated a polynomial dependence between the concentration of a calibrating gas (CO, CO2, CH4) and the corresponding integrated absorbance in...
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Structural and physico-mechanical properties of natural rubber/GTR composites devulcanized by microwaves: Influence of GTR source and irradiation time
PublicationGround tire rubber from car and truck was modified using microwave irradiation at variable time. The irradiated ground tire rubber was used as filler in composites based on natural rubber. The composites, with high content of ground tire rubber, were prepared using an internal batch mixer and subsequently cross-linked at 160℃. The influence of the ground tire rubber source (car/truck) and irradiation time on structure, physico-mechanical...
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Snapshot of micro-animals and associated biotic and abiotic environmental variables on the edge of the south-west Greenland ice sheet
PublicationMicroinvertebrates play a role as top consumers on glaciers. In this study we tested what kind of cryoconite material the animals inhabit (mud vs granules) on the edge of the Greenland ice sheet (GrIS) in the south-west. We also tested the links between the densities of micro-fauna in cryoconite material and selected biotic (algae, cyanobacteria, bacterial abundances) and abiotic (water depth, pH, ion content, radionuclides) factors....
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Investigation on stability of mountainous EUPOS sites’ coordinates
PublicationThe paper concerns analysis of solutions obtained during common processing of data from GNSS permanent stations situated on mountainous terrain: the Western Carpathians, the Sudetes Mountains and adjacent areas. As the outcome daily and weekly solutions (ellipsoidal coordinates) of forty Polish, Czech, Slovak, Ukrainian and German sites were obtained. Weekly solutions were used to determine velocity field and vertical movements,...
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Diagnosis of Damage in a Steel Tank Model by Shaking Table Harmonic Tests
PublicationDiagnosis of damage in civil engineering structures has recently become an important issue in the safety assessment procedure. Among a number of different approaches, a method of measuring the changes in natural frequencies is one of the most effective indicators of global damage. It has been successfully applied to relatively small. structures, however, the tests on large structures are very difficult and the practical application...
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ADAPTATION OF ENGINEERING FEA-BASED ALGORITHMS TO LCF FAILURE AND MATERIAL DATA PREDICTION IN OFFSHORE DESIGN
PublicationThere is an ever growing industrial demand for quantitative assessment of fatigue endurance of critical structural details. Although FEA-based calculations have become a standard in engineering design, problems involving the Low-To-Medium cycle range (101-104) remain challenging. This paper presents an attempt to optimally choose material data, meshing density and other algorithm settings in the context of recent design of the...
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Nonlinear impedance of vanadate glasses containing BaTiO3
Open Research DataThe nonlinear impedance of vanadate glasses doped with BaTiO3 was measured. Samples of the composition of x[BaO,TiO2]–(80 − x)V2O5–20Bi2O3 where x = 5, 10 and 15 in mol% were prepared by a conventional melt quenching technique. The melting was performed in alumina crucibles at the temperature of 1273 K–1373 K. The melts were poured on a preheated (573...
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Nonlinear impedance of Bi2VO5.5 glass-ceramic annealed at 423 K was measured with impedance spectroscopy method at high temperature region
Open Research DataThe nonlinear electrical properties of Bi2VO5.5 glass-ceramic annealed at 423 K was measured by impedance spectroscopy method.
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Non-linear impedance of V2O5 nanorods obtained at 923K
Open Research DataThe DataSet contains the non-linear electrical properties of V2O5 nanorods which were measured by the impedance spectroscopy method. V2O5 nanorods were obtained by the sol-gel method. The information about xerogel powder synthesis is described in the Journal of Nanomaterials. The precursor powder was pressed into the disk-shaped pellets (12mm in diameter...
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Nonlinear impedance of Bi2VO5.5 glass-ceramic heat-treated at 913 K was measured with impedance spectroscopy method at high temperature region
Open Research DataThe nonlinear electrical properties of Bi2VO5.5 glass-ceramic heat-treated at 913 K was measured by impedance spectroscopy method.
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Nonlinear impedance of Bi2VO5.5 glass-ceramic heat-treated at 913 K was measured with impedance spectroscopy method at low temperature region
Open Research DataThe nonlinear electrical properties of Bi2VO5.5 glass-ceramic heat-treated at 913 K was measured by impedance spectroscopy method.
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Physical properties of homogeneous TiO2 films prepared by high power impulse magnetron sputtering as a function of crystallographic phase and nanostructure
PublicationOptical, photo-electrochemical, crystallographic and morphological properties of TiO2 thin films prepared by high power impulse magnetron sputtering at low substrate temperatures (<65 ◦C) without post-deposition thermal annealing are studied. The film composition-anatase, rutile or amorphous TiO2-is adjusted by the pressure (p ∼ 0.75-15 Pa) in the deposition chamber. The different crystallographic phases were determined with grazing...
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Manifestation of Intermolecular Interactions in the IR Spectra of 2- and 4-Methylmethcathinones Hydrochlorides: DFT Study and Hirshfeld Surfaces Analysis
PublicationThis paper reports a Hirshfeld surfaces analysis of crystalline 2- and 4-methylmethcathinone (2-MMC and 4-MMC) hydrochlorides to analyze NH∙Cl and CH∙∙∙Cl intermolecular interactions and approve the formation of the NН2+–Cl– salt fragment in both 2-MMC∙HCl and 4-MMC∙HCl crystals. Two isomeric dimers were separated from the corresponding crystal packing to model IR spectra of the crystalline 2-MMC∙HCl...
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THIRD-ORDER EXPONENTIAL INTEGRATOR FOR LINEAR KLEIN–GORDON EQUATIONS WITH TIME AND SPACE-DEPENDANT MASS
PublicationAllowing for space- and time-dependance of mass in Klein–Gordon equations re- solves the problem of negative probability density and of violation of Lorenz covariance of interaction in quantum mechanics. Moreover it extends their applicability to the domain of quantum cosmology, where the variation in mass may be accompanied by high oscillations....
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THIRD-ORDER EXPONENTIAL INTEGRATOR FOR LINEAR KLEIN–GORDON EQUATIONS WITH TIME AND SPACE-DEPENDANT MASS
PublicationAllowing for space- and time-dependance of mass in Klein–Gordon equations re- solves the problem of negative probability density and of violation of Lorenz covariance of interaction in quantum mechanics. Moreover it extends their applicability to the domain of quantum cosmology, where the variation in mass may be accompanied by high oscillations....
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Unusual structural properties of water within the hydration shell of hyperactive antifreeze protein
PublicationMany hypotheses can be encountered explaining the mechanism of action of antifreeze proteins. One widespread theory postulates that the similarity of structural properties of solvation water of antifreeze proteins to ice is crucial to the antifreeze activity of these agents. In order to investigate this problem, the structural properties of solvation water of the hyperactive antifreeze protein from Choristoneura fumiferana were...
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Interfacially modified LDPE/GTR composites with non-polar elastomers: From microstructure to macro-behavior
PublicationThis paper provides some new insights into the mechanism of interaction and modifications in thermoplastic composites based on low density polyethylene (LDPE), ground tire rubber (GTR) and non-polar elastomer. The composites were prepared using a co-rotating twin-screw extruder at variable LDPE/GTR ratio and constant elastomer content. Two types of commercial elastomer were applied: styrene-butadiene-styrene (SBS) block copolymers (Kraton®)...
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Polyurethane/ground tire rubber composite foams based on polyglycerol: processing, mechanical and thermal properties
PublicationDuring the synthesis of rigid polyurethane foams, petrochemical polyol was substituted with polyglycerol, the product of thermo-catalytic polycondensation of waste glycerol, resulting from biodiesel production. Two types of ground tire rubbers, untreated and thermo-mechanically reclaimed, were used to obtain ‘‘green’’ polyurethane-polyglycerol composite foams. Samples were prepared by a single-step method for the ratio of NCO/OH...
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Direct amination of boron-doped diamond by plasma polymerized allylamine film
PublicationA novel microwave pulsed-plasma based method for the modification of the hydrogen-terminated polycrystalline boron-doped diamond (BDD) with a thin film of polymerized allylamine (PPAAm) is reported. A modified BDD surface is resistant to hydrolysis and delamination and is characterized by a high density of positively charged amino groups. Pulsed microwave plasma was applied to improve the degree of cross-linking and bonding of...
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Polymer derived SiOC/Sn nanocomposites from a low-cost single source precursor as anode materials for lithium storage applications
PublicationMetal- based materials capable of lithium (Li) alloy formation are key to realization of the next generation of high-energy density anodes for Li-ion batteries, owing to their high storage capacity. Designing a good sup- porting matrix is essential for homogeneously nesting these metallic nanodomains, to effectively utilize their high capacity while tackling the volume expansion issues. Silicon oxycarbides (SiOC), obtained via...
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Electronic States of Tris(bipyridine) Ruthenium(II) Complexes in Neat Solid Films Investigated by Electroabsorption Spectroscopy
PublicationWe present the electric field-induced absorption (electroabsorption, EA) spectra of the solid neat films of tris(bipyridine) Ru(II) complexes, which were recently functionalized in our group as photosensitizers in dye-sensitized solar cells, and we compare them with the results obtained for an archetypal [Ru(bpy)3]2+ ion (RBY). We argue that it is difficult to establish a unique set of molecular parameter values by discrete parametrization...
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Study on the Structure-Property Dependences of Rigid PUR-PIR Foams Obtained from Marine Biomass-Based Biopolyol
PublicationThe paper describes the preparation and characterization of rigid polyurethane-polyisocyanurate (PUR-PIR) foams obtained with biopolyol synthesized in the process of liquefaction of biomass from the Baltic Sea. The obtained foams differed in the content of biopolyol in polyol mixture (0–30 wt%) and the isocyanate index (IISO = 200, 250, and 300). The prepared foams were characterized in terms of processing parameters (processing...
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Synthesis of Titanium Dioxide via Surfactant-Assisted Microwave Method for Photocatalytic and Dye-Sensitized Solar Cells Applications
PublicationIn this study, titania nanoparticles were obtained using the microwave-assisted technique. Moreover, different surfactants (PEG (Mn = 400), Pluronic P123 and Triton X−100) were used during the synthesis in order to determine their impact on the crystallinity and morphology of the final products. Subsequently, techniques such as XRD, SEM and TEM (performed in high contrast and high-resolution mode), diffuse reflectance spectroscopy...
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Pre-Treatment of Furniture Waste for Smokeless Charcoal Production
PublicationThe aim of this study was to assess the possibility of using furniture waste for smokeless fuel production using the pyrolysis process. Four types of wood-based wastes were used in the pyrolysis process: pine sawdust (PS), chipboard (CB), medium-density fiberboard (MDF), and oriented strand board (OSB). Additionally, the slow and fast types of pyrolysis were compared, where the heating rates were 15 C/min and 100 C/min, respectively....
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The Analysis of Working Parameters Decrease in Photovoltaic Modules as a Result of Dust Deposition
PublicationThe aspect of dust accumulation on the surface of photovoltaic (PV) modules should be thoroughly understood in order to minimize possible obstacles affecting energy generation. Several elements affect the amount of pollutant gathered on the surface of a solar device, mainly its localization, which is irreversibly linked to factors such as annual rainfall, occasional snow coverage, or, in a dry climate, increased blow of dust during...
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Effects of thermal history on the performance of low-temperature solid oxide fuel cells with Sm0.2Ce0.8O2-δ electrolyte and LiNi0.81Co0.15Al0.04O2 electrodes
PublicationIn this study, low-temperature solid oxide fuel cells with an ∼560 μm thick Sm0.2Ce0.8O2−δ (SDC) electrolyte and ∼890 μm thick LiNi0.81Co0.15Al0.04O2−δ (NCAL) electrodes are constructed and characterized under three experimental conditions. The cell with an NCAL cathode pre-reduced under an H2 atmosphere at 550 °C presents the best electrochemical performance. This is ascribed to facts that the reduction reaction generating Ni–Co...
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Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study
PublicationThe near-edge X-ray absorption fine structure (NEXAFS) spectra of the gas-phase isoxazole molecule have been measured by collecting total ion yields at the C, N, and O K-edges. The spectral structures have been interpreted using time-dependent density functional theory (TD-DFT) with the short-range corrected SRC2-BLYP exchange–correlation functional. Experimental and calculated energies of core excitations are generally in good...
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Study on some of the strength properties of soft clay stabilized with plastic waste strips
PublicationIt is well known that if plastic wastes are not well managed, it has a negative impact on the environment as well as on human health. In this study, recycling plastic waste in form of strips for stabilizing weak subgrade soil is proposed. For this purpose, a weak clay soil sample was mixed with 0.2%, 0.3%, and 0.4% of plastic strips by weight of soil, and the experimental results were compared to the control soil sample with 0%...
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3D Metamaterial Ultra-Wideband Absorber for curved surface
PublicationThis paper proposes a three-dimensional metamaterial absorber based on a resistive film patch array to develop a low-cost, lightweight absorber for curved surfaces. An excellent absorption over a large frequency band is achieved through two different yet controllable mechanisms; In the first mechanism, a considerable attenuation in the wave power is achieved via graphite resistive films. The absorption is then intensified through...
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Cellulosic bionanocomposites based on acrylonitrile butadiene rubber and Cuscuta reflexa: adjusting structure-properties balance for higher performance
PublicationDesign and manufacture of cellulosic nanocomposites with acceptable performance is in the period of a transition from fantasy to reality. Typically, cellulosic nanofillers reveal poor compatibility with polymer matrices. Thus, adjusting the balance between structure and properties of cellulosic bionanocomposites by careful selection of parent ingredients is the first priority. Herein, we incorporated Cuscuta reflexa derived cellulose...
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Material Parameters Identification of Historic Lighthouse Based on Operational Modal Analysis
PublicationIn the present paper, the identification of the material parameters of a masonry lighthouse is discussed. A fully non-invasive method was selected, in which the material properties were determined via numerical model validation applied to the first pair of natural frequencies and their related mode shapes, determined experimentally. The exact structural model was built by means of the finite element method. To obtain experimental...
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Effect of the Drying Method of Pine and Beech Wood on Fracture Toughness and Shear Yield Stress
PublicationThe modern wood converting processes consists of several stages and material drying belongs to the most influencing future performances of products. The procedure of drying wood is usually realized between subsequent sawing operations, affecting significantly cutting conditions and general properties of material. An alternative methodology for determination of mechanical properties (fracture toughness and shear yield stress) based...
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Ultrasound-Assisted Dispersive Liquid-Liquid Microextraction Using Deep Eutectic Solvents (DESs) for Neutral Red Dye Spectrophotometric Determination
PublicationDeep eutectic solvents (DES), which have low toxicity and are low cost, biodegradable, and easily synthesized, were used for the extraction of neutral red (NR) dye before its spectrophotometric analysis. DES, containing choline chloride as a hydrogen bond acceptor and phenol as a hydrogen bond donor with a molar ratio of 1:2, was used for the extraction of NR dye from aqueous media. The possible interaction of different DESs with...