Search results for: adsorbate and adsorbent properties and energetics

Authors: U. K. Ghosh, A. Ullhyan

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Activated carbon prepared from mustard stalk was applied to decolorize Rhodamine-B dye bearing synthetic wastewater by simple adsorption and simultaneous adsorption and biodegradation (SAB) using Pseudomonas putida MTCC 1194. Results showed that percentage of Rhodamine-B dye removal was 82% for adsorption and 99.3% for SAB at pH 6.5, adsorbent dose 10 g/L and temperature 32ºC.

Keywords: activated carbon, mustard stalk, Rhodamine-B, adsorption, SAB, Pseudomonas putida

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Authors: Abdull Halim Abdul, Muhaimin Sulam

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This paper is about a subsurface study of Taman Pudu Ulu, Cheras, Kuala Lumpur with emphasize of Geo mechanic properties based on stratum index factor in humanities environment. Subsurface drilling and seismic data were used to understand the subsurface condition of the study area such as the type and thickness of the strata. Borehole and soil samples were recovered Geo mechanic properties of the area by conducting number of experiments. Taman Pudu Ulu overlies the Kuala Lumpur Limestone formation that is known for its karstic features such as caves and cavities. Hence by knowing the Geo mechanic properties such as the normal strain and shear strain we can plan a safer and economics construction that is plan at the area in the future.

Keywords: stratum, index factor, geo mechanic properties, humanities environment

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Authors: M. Li, V. D. Thi, M. Khelifa, M. El Ganaoui

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This study presents an overview of the work carried out by the use of wood waste as coarse aggregate in mortar. The paper describes experimental and numerical investigations carried on pervious concrete made of wood chips and also sheds lights on the mechanical properties of this new product. The properties of pervious wood-concrete such as strength, elastic modulus, and failure modes are compared and evaluated. The characterization procedure of the mechanical properties of wood waste ash are presented and discussed. The numerical and tested load–deflection response results are compared. It was observed that the numerical results are in good agreement with the experimental results.

Keywords: wood waste ash, characterization, mechanical properties, bending tests

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Authors: Jiří Kubásek, Peter Minárik, Klára Hosová, Stanislav Šašek, Jozef Veselý, Jitka Stráská, Drahomír Dvorský, Dalibor Vojtěch, Miloš Janeček

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Mg-2Y-2Gd-1Ca and Mg-4Y-4Gd-2Ca alloys were processed by extrusion or equal channel angular pressing (ECAP) to analyse the effect of the microstructure on ignition temperature, mechanical properties and corrosion resistance. The alloys are characterized by good mechanical properties and exceptionally high ignition temperature, which is a critical safety measure. The effect of extrusion and ECAP on the microstructure, mechanical properties and ignition temperature was studied. The obtained results indicated a substantial effect of the processing conditions on the average grain size, the recrystallized fraction and texture formation. Both alloys featured a high strength, depending on the composition and processing condition, and a high ignition temperature of ≈1100 °C (Mg-4Y-4Gd-2Ca) and ≈950 °C (Mg-2Y-2Gd-1Ca), which was attributed to the synergic effect of Y, Gd and Ca oxides, with the dominant effect of Y₂O₃. The achieved combination of enhanced mechanical properties and the ignition temperature makes these alloys a prominent candidate for aircraft applications.

Keywords: magnesium alloys, enhanced ignition temperature, mechanical properties, ECAP

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Authors: Sari Aouatef, Larabi Amina

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First-principles calculations within density functional theory based are used to investigate the influence of doped rare earth elements on some properties of perovskite systems Dy₀.₀₆₂₅Y₀.₉₃₇₅FeO₃ and Dy₀.₁₂₅ Y₀.₈₇₅ FeO₃. The electronic and magnetic properties are studied by means of the full-potential linearized augmented plane wave method with Vasp code. The calculated densities of states presented in this work identify the semiconducting behavior for Dy₀.₁₂₅ Y₀.₈₇₅ FeO₃, and the semi-metallic behavior for Dy₀.₀₆₂₅Y₀.₉₃₇₅ FeO₃. Besides, to investigate magnetic properties of several compounds, four magnetic configurations are considered (ferromagnetic (FM), antiferromagnetic type A (A-AFM), antiferromagnetic type C (C-AFM) and antiferromagnetic type G (G-AFM). By doping the Dy element, the system shows different changes in the magnetic order and electronic structure. It is found that Dy₀.₀₆₂₅Y₀.₉₃₇₅ FeO₃ exhibits the strongest magnetic change corresponding to the transition to the ferromagnetic order with the largest magnetic moment of 4.997.

Keywords: DFT, Perovskites, multiferroic, magnetic properties

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Authors: S. Mohammadzadehmoghadam, Y. Dong

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In this study, Bombyx mori silk fibroin/gelatin (SF/GT) nanocomposite with different GT ratio (SF/GT 100/0, 90/10 and 70/30) were prepared by electrospinning process and crosslinked with glutaraldehyde (GA) vapor. Properties of crosslinked SF/GT nanocomposites were investigated by scanning electron microscopy (SEM), mechanical test, water uptake capacity (WUC) and porosity. From SEM images, it was found that fiber diameter increased as GT content increased. The results of mechanical test indicated that the SF/GT 70/30 nanocomposites had both the highest Young’s modulus of 342 MPa and the highest tensile strength of about 14 MPa. However, porosity and WUC decreased from 62% and 405% for pristine SF to 47% and 232% for SF/GT 70/30, respectively. This behavior can be related to higher degree of crosslinking as GT ratio increased which altered the structure and physical properties of scaffolds. This study showed that incorporation of GT into SF nanofibers can enhance mechanical properties of resultant nanocomposite, but the GA treatment should be optimized to control and fine-tune other properties to warrant their biomedical application.

Keywords: electrospinning, gelatin, silk fibroin, mechanical properties, nanocomposites

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Authors: Priyanka Lokhande, Ram P. Sawant, Ganesh Kakad, Avinash Kolhatkar

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In order to evaluate the influence of chemical processing on low-stress mechanical properties and fabric hand of worsted cloth, eight worsted suiting fabric samples of balance plain and twill weave were studied. The Kawabata KES-FB system has been used for the measurement of low-stress mechanical properties of before and after chemically processed worsted suiting fabrics. Primary hand values and Total Hand Values (THV) of before and after chemically processed worsted suiting fabrics were calculated using the KES-FB test data. Upon statistical analysis, it is observed that chemical processing has considerable influence on the low-stress mechanical properties and thereby on handle properties of worsted suiting fabrics. Improvement in the Total Hand Values (THV) after chemical processing is experienced in most of fabric samples.

Keywords: low stress mechanical properties, plain and twill weave, total hand value (THV), worsted suiting fabric

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Authors: Marzena Tokarewicz, Malgorzata Gradzka-Dahlke

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High-entropy alloys (HEAs) have gained significant attention due to their great potential as functional and structural materials. HEAs have very good mechanical properties (in particular, alloys based on CoCrNi). They also show the ability to maintain their strength at high temperatures, which is extremely important in some applications. AlCoCrFeNi alloy is one of the most studied high-entropy alloys. Scientists often study the effect of changing the aluminum content in this alloy because it causes significant changes in phase presence and microstructure and consequently affects its hardness, ductility, and other properties. Research conducted by the authors also investigates the effect of aluminium content in AlₓCoCrFeNi alloy on its microstructure and mechanical properties. AlₓCoCrFeNi alloys were prepared by vacuum induction melting. The obtained samples were examined for chemical composition, microstructure, and microhardness. The three-point bending method was carried out to determine the bending strength, bending modulus, and conventional bending yield strength. The obtained results confirm the influence of aluminum content on the properties of AlₓCoCrFeNi alloy. Most studies on AlₓCoCrFeNi alloy focus on the determination of mechanical properties in compression or tension, much less in bending. The achieved results provide valuable information on the bending properties of AlₓCoCrFeNi alloy and lead to interesting conclusions.

Keywords: bending properties, high-entropy alloys, induction melting, microstructure

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Authors: F. Laatar, S. Ktifa, H. Ezzaouia

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Plasma Enhanced Chemical Vapor Deposition (PECVD) method is used to deposit hydrogenated nanocrystalline silicon films (nc-Si: H) on Porous Anodic Alumina Films (PAF) on glass substrate at different deposition duration. Influence of the deposition time on the physical properties of nc-Si: H grown on PAF was investigated through an extensive correlation between micro-structural and optical properties of these films. In this paper, we present an extensive study of the morphological, structural and optical properties of these films by Atomic Force Microscopy (AFM), X-Ray Diffraction (XRD) techniques and a UV-Vis-NIR spectrometer. It was found that the changes in DT can modify the films thickness, the surface roughness and eventually improve the optical properties of the composite. Optical properties (optical thicknesses, refractive indexes (n), absorption coefficients (α), extinction coefficients (k), and the values of the optical transitions EG) of this kind of samples were obtained using the data of the transmittance T and reflectance R spectra’s recorded by the UV–Vis–NIR spectrometer. We used Cauchy and Wemple–DiDomenico models for the analysis of the dispersion of the refractive index and the determination of the optical properties of these films.

Keywords: hydragenated nanocrystalline silicon, plasma processing chemical vapor deposition, X-ray diffraction, optical properties

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Authors: Abdul Manan

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Dielectric Resonators (DRs) have revolutionized the microwave wireless communication industry globally. There are three directions for research in ceramics for application in telecommunication industry Three key properties of ceramic dielectrics that determine their functionality at microwave and millimetrewave frequencies include relative permittivity (εr), unloaded quality factor Qu- the inverse of the dielectric loss (tanδ) and temperature coefficient of resonant frequency (τf). Each direction requires specific properties. These dielectric properties are affected by a number of factors. These includes tolerance factor, onset of structural phase transitions, dark core formation, processing conditions, raw materials and impurities, order/disorder behavior, compositional ordering, porosity, humidity, grain size, orientation of the crystallites, and grain boundaries. The data related to these factors is scattered. The main purpose of this review is to bring these together and present the effects of these factors on the microwave dielectric properties. Control of these factors is important for improvement in the microwave properties. This review would be very helpful to the novice researchers and technologists in the field.

Keywords: order disorder, sintering, defect, porosity, grain boundaries

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Authors: Anjana Jain, S. Jayanth Kumar

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Polyvinylidene fluoride (PVDF) is a well-known material for remarkable mechanical properties, resistance to chemicals and superior ferroelectric performances. This endows PVDF the potential for application in supercapacitor devices. The dielectric properties of PVDF, however, are not very high. To improve the dielectric properties of Polyvinylidene fluoride (PVDF), Piezoelectric polymer nanocomposites are prepared without affecting the other useful properties of PVDF. Polyaniline (PANI) was chosen as a filler material to prepare the nanocomposites. PVDF-PANI nanocomposite films were prepared using solvent cast method with different volume fractions of PANI varying from 0.04% to 0.048% of PANI content. The films are characterized for structural, mechanical, and surface morphological properties using X-ray diffraction, differential scanning calorimeter, Raman spectra, Infrared spectra, tensile testing, and scanning electron microscopy. The X-ray diffraction analysis shows that, prepared films were in β-phase. The DSC scans indicated that the degree of crystallinity in PVDF-PANI is improved. Raman and Infrared spectrum further confirm the presence of β-phase of PVDF-PANI film. Tensile properties of PVDF-PANI films were in good agreement with those reported in literature. The surface feature shows that PANI is uniformly distributed in PVDF and also results in disappearance of spherulites. The influence of volume fraction of PANI in PVDF on dielectric properties was analyzed. The results showed that the dielectric permittivity of PVDF-PANI (120) was much higher than that of PVDF (12). The sensitivity of these films was studied on application of a pressure and a constant output voltage was obtained.

Keywords: dielectric Properties, PANI, PVDF, smart materials

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Authors: Marcia Silva, Jayme Kolarik, Brennon Garthwait, William Lee, Hai-Feng Zhang

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Adsorption of lead by a natural porous material was studied to establish a baseline for the removal of heavy metals from drinking and waste water. Samples were examined under different conditions such as solution pH, solution concentration, solution temperature, and exposure time. New materials with potentially enhanced adsorption properties were developed by functionalizing the surface of the natural porous material to fabricate graphene based coated and sulfide based treated porous material. The functionalized materials were characterized with Fourier Transform Infrared Spectroscopy (FTIR), Raman, Thermogravimetric Analysis (TGA) and Scanning Electron Microscopy (SEM) and Energy Dispersive Spectroscopy (EDS) techniques. Solution pH effect on removal efficiency has been investigated in acidic (pH = 4), neutral (pH = 6) and basic (pH = 10) pH levels. All adsorbent materials showed highest adsorption capacities at neutral pH levels. Batch experiment was employed to assess the efficacy for the removal of lead with the sorption kinetics and the adsorption isotherms being determined for the natural and treated porous materials. The addition of graphene-based and sulfide-based materials increased the lead removal capacity of the natural clean porous material. Theoretical calculations confirmed pseudo-second order model as kinetic mechanism for lead adsorption for all adsorbents.

Keywords: heavy metals, ion exchange, adsorption, water remediation

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Authors: Shagufta Tabassum, V. P. Pawar, jr., G. N. Shinde

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The study of dielectric relaxation properties of polar liquids in the binary mixture has been carried out at 10, 15, 20 and 25 ºC temperatures for 11 different concentrations using time domain reflectometry technique. The dielectric properties of a solute-solvent mixture of polar liquids in the frequency range of 10 MHz to 30 GHz gives the information regarding formation of monomers and multimers and also an interaction between the molecules of the liquid mixture under study. The dielectric parameters have been obtained by the least squares fit method using the Debye equation characterized by a single relaxation time without relaxation time distribution.

Keywords: excess properties, relaxation time, static dielectric constant, and time domain reflectometry technique

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Authors: Sahari Japar, Rodney Jammy, M. A. Maleque

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The fabrication of melaleuca alternifolia fibre reinforced thermoplastic starch composites was successfully done. This paper aims to show the effect of melaleuca alternifolia fibres on mechanical and physical properties of composites by using starch as a matrix. The fibres were extracted from three different part i.e. tea tree trunk (TTT), tea tree bunch (TTB) and tea tree leaf (TTL) and combined with tapioca starch by casting method. All composites showed superior mechanical properties in comparison to TS. The addition of 5% (v/v) fibres as a filler to TS led to the improvement in young’s modulus by 350% for TTB/TS, 282% for TTT/TS and 220% for TTL/TS. The tensile strength also increased to 34.39% for TTL/TS, 82.80% for TTB/TS and 203.18% for TTT/TS respectively. The trend can be correlated to the amount of cellulose in the fibres. For physical properties, it can be seen that, with the addition of fibres, the water absorption and swelling of composites decreased. The addition of melaleuca alternifolia fibre improved mechanical and physical properties of thermoplastic starch composites.

Keywords: melaleuca alternifolia, fibre, starch, mechanical, physical

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Authors: Rui Wang, Shanfa Tang, Yuanwu Dong, Siyao Wang, Zhaowen Jiang, Di Han

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A sulfonate Gemini surfactant sodium N,N`-bis(tetradecanoyl) propanediamine dipropyl sulfonate (GNS-14) was synthesized from 1,3-propanediamine, tetradecanoyl chloride, and1,3-propanesulfonic lactone. GNS-14 was characterized by FT-IR, 1H NMR. The surface activity, interfacial activity, and emulsification properties of GNS-14 solution were systematically studied. The critical micelle concentration (CCMC) of GNS-14 surfactant was 0.056 mmol/L, and the surface tension (γCMC) was 18.2 mN/m; at 50℃, 0.5% GNS-14 solution can reduce the oil-water interfacial tension to 6.5×10−2 mN/m. GNS-14 has excellent surface activity, interfacial activity, and emulsifying properties.

Keywords: gemini surfactants, surface tension, low interfacial tension, emulsifying properties

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Authors: Štěpán Hýsek, Petra Gajdačová, Milan Podlena

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Annual plants are becoming more and more popular source of lignin and cellulose. In those days a lot of research is carried out in order to evaluate the possibility of utilization of fibres and particles from these plants in composite materials production. These lingo-cellulosic materials seem to be a great alternative to wood, however, due to waxy and silica layers on the surface of these stalks, one additional technological step is needed–erosion of the layers for the purpose of achieving better adhesion between particle and adhesive. In this research, we used several kinds of particle pre-treatment, in order to modify surface properties of these particles. Further, an adhesive was applied to the particles using laboratory blender and board were produced using laboratory press. Both physical and mechanical properties of boards were observed. It was found out that the surface modification of particles had statistically significant effect on properties of produced boards.

Keywords: annual plant, composites, mechanical properties, particleboard

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Authors: Özge Alptoğa, Nuray Uçar, Nilgün Karatepe Yavuz, Ayşen Önen

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Sulfur dioxide (SO₂) is a very toxic air pollutant gas and it causes the greenhouse effect, photochemical smog, and acid rain, which threaten human health severely. Thus, the capture of SO₂ gas is very important for the environment. Graphene which is two-dimensional material has excellent mechanical, chemical, thermal properties, and many application areas such as energy storage devices, gas adsorption, sensing devices, and optical electronics. Further, graphene oxide (GO) is examined as a good adsorbent because of its important features such as functional groups (epoxy, carboxyl and hydroxyl) on the surface and layered structure. The SO₂ adsorption properties of the fibers are usually investigated on carbon fibers. In this study, potential adsorption capacity of GO fibers was researched. GO dispersion was first obtained with Hummers’ method from graphite, and then GO fibers were obtained via wet spinning process. These fibers were converted into a disc shape, dried, and then subjected to SO₂ gas adsorption test. The SO₂ gas adsorption capacity of GO fiber discs was investigated in the fields of utilization of different coagulation baths and reduction by hydrazine hydrate. As coagulation baths, single and triple baths were used. In single bath, only ethanol and CaCl₂ (calcium chloride) salt were added. In triple bath, each bath has a different concentration of water/ethanol and CaCl₂ salt, and the disc obtained from triple bath has been called as reference disk. The fibers which were produced with single bath were flexible and rough, and the analyses show that they had higher SO₂ adsorption capacity than triple bath fibers (reference disk). However, the reduction process did not increase the adsorption capacity, because the SEM images showed that the layers and uniform structure in the fiber form were damaged, and reduction decreased the functional groups which SO₂ will be attached. Scanning Electron Microscopy (SEM), Fourier Transform Infrared Spectroscopy (FTIR), X-Ray Diffraction (XRD) analyzes were performed on the fibers and discs, and the effects on the results were interpreted. In the future applications of the study, it is aimed that subjects such as pH and additives will be examined.

Keywords: coagulation bath, graphene oxide fiber, reduction, SO2 gas adsorption

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Authors: N. Ouslimani, T. Abadlia, M. Fadel

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This work focused on the elimination of acid textile dye (red bermacide acid dye BN-CL-200), widely used for dyeing wool and polyamide fibers, by adsorption on a natural material, wood sawdust, in the static mode by keeping under continuous stirring, a specific mass of the adsorbent, with a dye solution of known concentration. The influence of various parameters is studied like the influence of particle size, mass, pH and time. The best results were obtained with 0.4 mm grain size, mass of 3g, Temperature of 20 °C, pH 2 and Time contact of 120 min.

Keywords: acid dye, environment, wood sawdust, wastewater

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Authors: Ammar Benamrani

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This work investigates the equation of state parameters, elastic constants, and several other physical properties of (B2-type) Yttrium-Copper (YCu) rare earth intermetallic compound using the projected augmented wave (PAW) pseudopotentials method as implemented in the Quantum Espresso code. Using both the local density approximation (LDA) and the generalized gradient approximation (GGA), the finding of this research on the lattice parameter of YCu intermetallic compound agree very well with the experimental ones. The obtained results of the elastic constants and the Debye temperature are also in general in good agreement compared to the theoretical ones reported previously in literature. Furthermore, several thermodynamic properties of YCu intermetallic compound have been studied using quasi-harmonic approximations (QHA). The calculated data on the thermodynamic properties shows that the free energy and both isothermal and adiabatic bulk moduli decrease gradually with increasing of the temperature, while all other thermodynamic quantities increase with the temperature.

Keywords: Yttrium-Copper intermetallic compound, thermo_pw package, elastic constants, thermodynamic properties

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Authors: F. A. Hassona, M. M. Abu-Heleika, M. A. Hassan, A. E. Sidhom

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Application of electrical measurements to evaluate engineering properties of soils has gained a wide, promising field of research in recent years. So, understanding of the relation between in-situ electrical resistivity of clay soil, and their mechanical and physical properties consider a promising field of research. This would assist in introducing a new technique for the determination of soil properties based on electrical resistivity. In this work soil physical and mechanical properties of clayey soil have been determined by experimental tests and correlated with the in-situ electrical resistivity. The research program was conducted through measuring fifteen vertical electrical sounding stations along with fifteen selected boreholes. These samples were analyzed and subjected to experimental tests such as physical tests namely bulk density, water content, specific gravity, and grain size distribution, and Attereberg limits tests. Mechanical test was also conducted such as direct shear test. The electrical resistivity data were interpreted and correlated with each one of the measured experimental parameters. Based on this study mathematical relations were extracted and discussed. These results exhibit an excellent match with the results reported in the literature. This study demonstrates the utility of the developed methodology for determining the mechanical properties of soils easily and rapidly depending on their electrical resistivity measurements.

Keywords: electrical resistivity, clayey soil, physical properties, shear properties

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Authors: Heather E. Ewart, Keith Jensen, Rebecca N. Cliffe

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Fragmentation and changes in the structural composition of tropical forests – as a result of intensifying anthropogenic disturbance – are increasing pressures on local biodiversity. Species with low dispersal abilities have some of the highest extinction risks in response to environmental change, as even small-scale environmental variation can substantially impact their space use and energetic balance. Understanding the implications of forest disturbance is therefore essential, ultimately allowing for more effective and targeted conservation initiatives. Here, the impact of different levels of forest disturbance on the space use, energetics, movement and behavior of 18 brown-throated sloths (Bradypus variegatus) were assessed in the South Caribbean of Costa Rica. A multi-scale framework was used to measure forest disturbance, including large-scale (landscape-level classifications) and fine-scale (within and surrounding individual home ranges) forest composition. Three landscape-level classifications were identified: primary forests (undisturbed), secondary forests (some disturbance, regenerating) and urban forests (high levels of disturbance and fragmentation). Finer-scale forest composition was determined using measurements of habitat structure and quality within and surrounding individual home ranges for each sloth (home range estimates were calculated using autocorrelated kernel density estimation [AKDE]). Measurements of forest quality included tree connectivity, density, diameter and height, species richness, and percentage of canopy cover. To determine space use, energetics, movement and behavior, six sloths in urban forests, seven sloths in secondary forests and five sloths in primary forests were tracked using a combination of Very High Frequency (VHF) radio transmitters and Global Positioning System (GPS) technology over an average period of 120 days. All sloths were also fitted with micro data-loggers (containing tri-axial accelerometers and pressure loggers) for an average of 30 days to allow for behavior-specific movement analyses (data analysis ongoing for data-loggers and primary forest sloths). Data-loggers included determination of activity budgets, circadian rhythms of activity and energy expenditure (using the vector of the dynamic body acceleration [VeDBA] as a proxy). Analyses to date indicate that home range size significantly increased with the level of forest disturbance. Female sloths inhabiting secondary forests averaged 0.67-hectare home ranges, while female sloths inhabiting urban forests averaged 1.93-hectare home ranges (estimates are represented by median values to account for the individual variation in home range size in sloths). Likewise, home range estimates for male sloths were 2.35 hectares in secondary forests and 4.83 in urban forests. Sloths in urban forests also used nearly double (median = 22.5) the number of trees as sloths in the secondary forest (median = 12). These preliminary data indicate that forest disturbance likely heightens the energetic requirements of sloths, a species already critically limited by low dispersal ability and rates of energy acquisition. Energetic and behavioral analyses from the data-loggers will be considered in the context of fine-scale forest composition measurements (i.e., habitat quality and structure) and are expected to reflect the observed home range and movement constraints. The implications of these results are far-reaching, presenting an opportunity to define a critical index of habitat connectivity for low dispersal species such as sloths.

Keywords: biodiversity conservation, forest disturbance, movement ecology, sloths

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Authors: F. Z. Benabid, F. Zouai, N. Kharchi, D. Benachour

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A HDPE/ZnO nano composites have been successfully performed using the co-mixing. The ZnO was first co-mixed with the stearic acid then added to the polymer in the plastograph. The nano composites prepared with the co-mixed ZnO were compared to those prepared with the neat TiO2. The nano composites were characterized by different techniques as the wide-angle X-ray scattering (WAXS). The micro and nano structure/properties relationships were investigated. The present study allowed establishing good correlations between the different measured properties.

Keywords: exfoliation, ZnO, nano composites, HDPE, co-mixing

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Authors: H. Baltache, M. El Amine. Monir, R. Khenata, D. Rached, T. Seddik

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The first principles calculations based on the density functional theory (DFT) by using the full-potential linearized augmented plane wave (FP-LAPW) method within the generalized gradient approximation (GGA) in order to investigate the structural and electronic properties of Cd1-xVxS alloy at x = 0.25 in zincblende structure. For the structural properties, we have calculated the equilibrium lattice parameters, such as lattice constant, bulk modulus and first pressure derivatives of the bulk modulus. From the electronic structure, we obtain that Cd0.75V0.25S alloy is nearly half-metallic. The analysis of the density of states (DOS) curves allow to evaluate the spin-exchange splitting energies Δx(d) and Δx(pd) that are generated by V-3d states, where the effective potential for spin-down case is attractive than for spin-up case. Calculations of the exchange constants N0α (valence band) and N0β (conduction band) are served to describe the magnetic behavior of the compounds.

Keywords: first-principles calculations, structural properties, electronic properties

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Authors: B. Bouadjemi, S. Bentata, T. Lantri, Souidi Amel, W.Bensaali, A. Zitouni, Z. Aziz

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We performed first-principle calculations, the full-potential linearized augmented plane wave (FP-LAPW) method is used to calculate structural, optoelectronic and magnetic properties of cubic halide perovskites CsPbX3 (X= F,I). We employed for this study the GGA approach and for exchange is modeled using the modified Becke-Johnson (mBJ) potential to predicting the accurate band gap of these materials. The optical properties (namely: the real and imaginary parts of dielectric functions, optical conductivities and absorption coefficient absorption make this halide perovskites promising materials for solar cells applications.

Keywords: halide perovskites, mBJ, solar cells, FP-LAPW, optoelectronic properties, absorption coefficient

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Authors: T. Zergoug, S. E. H. Abaidia, A. Nedjar, M. Y. Mokeddem

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Physical properties of uranium di-nitride (UN2) were investigated in detail using first principles calculations based on density functional theory. To treat the strong correlation effects caused by 5f Uranium valence electrons, on-site Coulomb interaction correction via the Hubbard-like term, U (DFT+U) was employed. The UN2 structural, mechanical and thermodynamic properties were calculated within DFT and Various U of DFT+U approach. The Perdew–Burke–Ernzerhof (PBE.5.2) version of the generalized gradient approximation (GGA) is used to describe the exchange-correlation with the projector-augmented wave (PAW) pseudo potentials. A comparative study shows that results are improved by using the Hubbard formalism for a certain U value correction like the structural parameter. For some physical properties the variation versus Hubbard U is strong like Young modulus but for others it is weakly noticeable such as the density of state (DOS) or bulk modulus. We noticed also that up from U=7.5 eV, elastic results become not conform to the cubic cell elastic criteria since the C44 values turn out to be negative.

Keywords: uranium diNitride, UN2, DFT+U, elastic properties

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Authors: Hikmet Cicek

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Metal nitrides show excellence tribological properties and they used for especially on machine parts. In this work, the vacuum gas nitriding proses were applied to the titanium, D2 and 52100 steel substrates at three different proses temperatures (500 °C, 600°C and 700 °C). Structural, mechanical and tribological properties of the samples were characterized. X-Ray diffractometer, scanning electron microscope and energy dispersive spectroscopy analyses were conducted to determine structural properties. Microhardness test and pin-on-disc wear test were made to observe tribological properties. Coefficient of friction, wear rate and wear traces were examined comparatively. According to the test results, the process temperature very effective parameter for the vacuum gas nitriding method.

Keywords: gas nitriding, tribology, wear, coating

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Authors: Ali Ashjaran

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Graphene is undoubtedly emerging as one of the most promising materials because of its unique combination of superb properties, which opens a way for its exploitation in a wide spectrum of applications ranging from electronics to optics, sensors, and biodevices. In addition, Graphene-based nanomaterials have many promising applications in energy-related areas. Graphene a single layer of carbon atoms, combines several exceptional properties, which makes it uniquely suited as a coating material: transparency, excellent mechanical stability, low chemical reactivity, Optical, impermeability to most gases, flexibility, and very high thermal and electrical conductivity. Graphene is a material that can be utilized in numerous disciplines including, but not limited to: bioengineering, composite materials, energy technology and nanotechnology, biological engineering, optical electronics, ultrafiltration, photovoltaic cells. This review aims to provide an overiew of graphene structure, properties and some applications.

Keywords: graphene, carbon, anti corrosion, optical and electrical properties, sensors

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Authors: Sudip Kumar Sinha, Saptarshi Ghosh

Abstract:

While there’s a perpetual buzz around zinc oxide (ZnO) superstructures for their unique optical features, the versatile material has been constantly utilized to manifest tailored electronic properties through rendition of distinct morphologies. And yet, the unorthodox approach of implementing the novel 1D nanostructures of ZnO (pristine or doped) for volatile sensing applications has ample scope to accommodate new unconventional morphologies. In the last two decades, solid-state sensors have attracted much curiosity for their relevance in identifying pollutant, toxic and other industrial gases. In particular gas sensors based on metal oxide semiconducting (wide Eg) nanomaterials have recently attracted intensive attention owing to their high sensitivity and fast response and recovery time. These materials when exposed to air, the atmospheric O2 dissociates and get absorb on the surface of the sensors by trapping the outermost shell electrons. Finally a depleted zone on the surface of the sensors is formed, that enhances the potential barrier height at grain boundary . Once a target gas is exposed to the sensor, the chemical interaction between the chemisorbed oxygen and the specific gas liberates the trapped electrons. Therefore altering the amount of adsorbate is a considerable approach to improve the sensitivity of any target gas/vapour molecule. Likewise, this study presents a spontaneous but self catalytic creation of Sn-doped ZnO hexagonal nanoprisms on Si (100) substrates through thermal evaporation-condensation method, and their subsequent deployment for volatile sensing. In particular, the sensors were utilized to detect molecules of ethanol, acetone and ammonia below their permissible exposure limits which returned sensitivities of around 85%, 80% and 50% respectively. The influence of Sn concentration on the growth, microstructural and optical properties of the nanoprisms along with its role in augmenting the sensing parameters has been detailed. The single-crystalline nanostructures have a typical diameter ranging from 300 to 500 nm and a length that extends up to few micrometers. HRTEM images confirmed the hexagonal crystallography for the nanoprisms, while SAED pattern asserted the single crystalline nature. The growth habit is along the low index <0001>directions. It has been seen that the growth mechanism of the as-deposited nanostructures are directly influenced by varying supersaturation ratio, fairly high substrate temperatures, and specified surface defects in certain crystallographic planes, all acting cooperatively decide the final product morphology. Room temperature photoluminescence (PL) spectra of this rod like structures exhibits a weak ultraviolet (UV) emission peak at around 380 nm and a broad green emission peak in the 505 nm regime. An estimate of the sensing parameters against dispensed target molecules highlighted the potential for the nanoprisms as an effective volatile sensing material. The Sn-doped ZnO nanostructures with unique prismatic morphology may find important applications in various chemical sensors as well as other potential nanodevices.

Keywords: gas sensor, HRTEM, photoluminescence, ultraviolet, zinc oxide

Procedia PDF Downloads 213

Authors: Bilal Ahmad Ashwar, Asima Shah, S. A. Rather, Asir Gani, S.M. Wani, I.D. Wani, F. A. Masoodi, Adil Gani

Abstract:

Starches isolated from two newly released rice varieties (K-322 & K-448) were subject to irradiation at 0, 5, 10, and 20 kGy doses. Comparative study between native (not irradiated) and irradiated starch samples was carried out to evaluate the changes in physicochemical, morphological and pasting properties due to gamma irradiation. Significant decrease was found in apparent amylose content, pH, swelling power, syneresis, and pasting properties, whereas carboxyl content, water absorption capacity, transmittance and solubility were found to increase with the increase in irradiation dose. Granule morphology of native and irradiated starches under scanning electron microscope revealed that granules were polygonal or irregular in shape. The starch granules were somewhat deformed by gamma irradiation. X-ray diffraction pattern showed A type of pattern in native as well as irradiated starches.

Keywords: rice starch, gamma irradiation, morphological properties, pasting properties, physicochemical properties.

Procedia PDF Downloads 441

Authors: Mustafa Öztas, Metin Bedir, Yahya Özdemir

Abstract:

Boron doped of In2O3 films were prepared by spray pyrolysis technique at 350 °C substrate temperature, which is a low cost and large area technique to be well-suited for the manufacture of solar cells, using boric acid (H3BO3) as dopant source, and their properties were investigated as a function of doping concentration. X-ray analysis showed that the films were polycrystalline fitting well with a hexagonal structure and have preferred orientation in (220) direction. The changes observed in the energy band gap and structural properties of the films related to the boric acid concentration are discussed in detail.

Keywords: spray pyrolysis, In2O3, boron, optical properties, boric acid

Procedia PDF Downloads 560