Search results for: emergent properties

Authors: Nikhil Jain, Yang Xu, Bin Yu

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Hexagonal boron nitride (h-BN) has been used as a substrate and gate dielectric for graphene field effect transistors (GFETs). Using a graphene/h-BN/TiN (channel/dielectric/gate) stack, key material properties of h-BN were investigated i.e. dielectric strength and tunneling behavior. Work function difference between graphene and TiN results in spontaneous p-doping of graphene through a multi-layer h-BN flake. However, at high levels of current stress, n-doping of graphene is observed, possibly due to the charge transfer across the thin h-BN multi layer. Neither Direct Tunneling (DT) nor Fowler-Nordheim Tunneling (FNT) was observed in TiN/h-BN/Au hetero structures with h-BN showing two distinct volatile conduction states before breakdown. Hexagonal boron nitride emerges as a material of choice for gate dielectrics in GFETs because of robust dielectric properties and high tunneling barrier.

Keywords: graphene, transistors, conduction, hexagonal boron nitride, dielectric strength, tunneling

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Authors: Hyung T. Kwak, Jun Gao, Yao An, Alfred Kleinhammes, Yue Wu

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Surface wettability is a crucial factor in oil recovery. In oil industry, the rock wettability involves the interplay between water, oil, and solid surface. Therefore, studying the interplay between adsorptions of water and hydrocarbon molecules on solid surface would be very informative for understanding rock wettability. Here we use the in-situ Nuclear Magnetic Resonance (NMR) gas isotherm technique to study competitive adsorptions of water and isopropanol, an intermediate step from hydrocarbons. This in-situ NMR technique obtains information on thermodynamic properties such as the isotherm, molecular dynamics via spin relaxation measurements, and adsorption kinetics such as how fast the system can reach thermal equilibrium after changes of vapor pressures. Using surfaces of silica glass beads, which can be modified from hydrophilic to hydrophobic, we obtained information on the influence of surface hydrophilicity on the state of surface water via obtained thermodynamic and dynamic properties.

Keywords: Wettability, NMR, Gas Isotherm, Hydrophilicity, adsorption

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Authors: Farnoosh Attar

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Nowadays, buffalo’s milk due to has highly nutritional properties, has a special place among consumers and its application for the production of dairy products due to the high technological properties is increasing day by day. In the present study, the physicochemical characteristics of Iranian buffalo’s milk were compared with cow's milk. According to chemical analysis, the amount of fat, protein, and total solid was higher in buffalo milk than cow's milk (respectively, 8.2%, 4.73%, and 15.92% compared with 3.5%, 3.25%, and 12.5%). Also, the percentage of cholesterol buffalo’s milk was less than in cow's milk. In contrast, no significant difference between the pH, acidity, and specific gravity was observed. The size of buffalo milk fat globules was larger than cow's milk. In addition, the profile of buffalo free fatty acids milk showed the relatively high distribution of long chain saturated fatty acids. The presence of four major bands related to αs casein, β casein, β-lactoglobulin, and α-lactalbumin with quite higher intensity than cow’s milk was also observed. The results obtained will provide a reference investigation to improve the developing of buffalo milk standard.

Keywords: buffalo milk, physicochemical characterization, standardization, dairy products

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Authors: Barnali Laha

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In this paper, we would like to establish some of the properties of slant and hemislant submanifolds of an indefinite trans-Sasakian manifold. We have four sections in this paper. The first section is introductory. In Section 2, we recall some necessary details of an indefinite trans-Sasakian manifold. In Section 3, we have obtained some interesting properties on a totally umbilical slant submanifolds of an indefinite trans-Sasakian manifold. Finally, in Section 4, some results on integrability conditions of the distributions of hemislant submanifolds of an indefinite trans-Sasakian manifold have been obtained.

Keywords: slant submanifold, indefinite trans-Sasakian manifold, hemislant submanifold, integrability conditions

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Authors: Nidhi Adhlakha, K. L. Yadav

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Three phase magnetoelectric (ME) composites (1-x)(0.7BiFeO3-0.3CoFe2O4)-xPbTiO3 (or equivalently written as (1-x)(0.7BFO-0.3CFO)-xPT) with x variations 0, 0.30, 0.35, 0.40, 0.45 and 1.0 were synthesized using hybrid processing route. The effects of PT addition on structural, multiferroic and optical properties have been subsequently investigated. A detailed Rietveld refinement analysis of X-ray diffraction patterns has been performed, which confirms the presence of structural phases of individual constituents in the composites. Field emission scanning electron microscopy (FESEM) images are taken for microstructural analysis and grain size determination. Transmission electron microscopy (TEM) analysis of 0.3CFO-0.7BFO reveals the average particle size to be lying in the window of 8-10 nm. The temperature dependent dielectric constant at various frequencies (1 kHz, 10 kHz, 50 kHz, 100 kHz and 500 kHz) has been studied and the dielectric study reveals that the increase of dielectric constant and decrease of average dielectric loss of composites with incorporation of PT content. The room temperature ferromagnetic behavior of composites is confirmed through the observation of Magnetization vs. Magnetic field (M-H) hysteresis loops. The variation of magnetization with temperature indicates the presence of spin glass behavior in composites. Magnetoelectric coupling is evidenced in the composites through the observation of the dependence of the dielectric constant on the magnetic field, and magnetodielectric response of 2.05 % is observed for 45 mol% addition of PT content. The fractional change of magnetic field induced dielectric constant can also be expressed as ∆ε_r~γM^2 and the value of γ is found to be ~1.08×10-2 (emu/g)-2 for composite with x=0.40. Fourier transformed infrared (FTIR) spectroscopy of samples is carried out to analyze various bonds formation in the composites.

Keywords: composite, X-ray diffraction, dielectric properties, optical properties

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Authors: Zubair Khaliq, M. Bilal Qadir, Amir Shahzad, Zulfiqar Ali, Ahsan Nazir, Ali Afzal, Abdul Jabbar

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Carbon fibers are one of the most demanding materials on earth due to their potential application in energy, high strength materials, and conductive materials. The nanostructure of carbon fibers offers enhanced properties of conductivity due to the larger surface area. The next generation carbon nanofibers demand the porous structure as it offers more surface area. Multiple techniques are used to produce carbon fibers. However, electrospinning followed by carbonization of the polymeric materials is easy to carry process on a laboratory scale. Also, it offers multiple diversity of changing parameters to acquire the desired properties of carbon fibers. Polyacrylonitrile (PAN) is the most used material for the production of carbon fibers due to its promising processing parameters. Also, cellulose is one of the highest yield producers of carbon fibers. However, the electrospinning of cellulosic materials is difficult due to its rigid chain structure. The combination of PAN and cellulose can offer a suitable solution for the production of carbon fibers. Both materials are miscible in the mixed solvent of N, N, Dimethylacetamide and lithium chloride. This study focuses on the production of porous carbon fibers as a function of PAN/Cellulose blend ratio, solution properties, and electrospinning parameters. These single polymer and blend with different ratios were electrospun to give fine fibers. The higher amount of cellulose offered more difficulty in electrospinning of nanofibers. After carbonization, the carbon fibers were studied in terms of their blend ratio, surface area, and texture. Cellulose contents offered the porous structure of carbon fibers. Also, the presence of LiCl contributed to the porous structure of carbon fibers.

Keywords: cellulose, polyacrylonitrile, carbon nanofibers, electrospinning, blend

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Authors: Jun Ying Lin, Tzu Hsiang Yen, Cha'o Kuang Chen

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Nowadays, the great majority believe that there is great potentiality in hydrogen storage alloy storing hydrogen by physical and chemical absorption. However, the hydrogen storage alloy is limited by high operation temperature. Scientists find that adding transition elements can improve the properties of hydrogen storage alloy. In this research, outstanding improvements of kinetic and thermal properties are given by the addition of Palladium and Titanium hydride to Magnesium-based hydrogen storage alloy. Magnesium-based alloy is the main material, into which TiH2 / Pd are added separately. Following that, materials are milled by a Planetary Ball Miller at 650 rpm. TGA/DSC and PCT measure the capacity, spending time and temperature of abs/des-orption. Additionally, SEM and XRD analyze the structures and components of material. It is clearly shown that Pd is beneficial to kinetic properties. 2MgH2-0.1Pd has the highest capacity of all the alloys listed, approximately 5.5 wt%. Secondly, there are not any new Ti-related compounds found from XRD analysis. Thus, TiH2, considered as the catalyst, leads to the condition of 2MgH2-TiH2 and 2MgH2-TiH2-0.1Pd efficiently absorbing hydrogen in low temperature. 2MgH2-TiH2 can reach roughly 3.0 wt% in 82.4 minutes at 50°C and 8 minutes at 100°C, while2MgH2-TiH2-0.1Pd can reach 2.0 wt% in 400 minutes at 50°C and in 48 minutes at 100°C. The lowest temperature of 2MgH2-0.1Pd and 2MgH2-TiH2 is similar (320°C), otherwise the lowest temperature of 2MgH2-TiH2-0.1Pd decrease by 20°C. From XRD, it can be observed that PdTi2 and Pd3Ti are produced by mechanical alloying when adding Pd as well as TiH2 into MgH2. Due to the synergistic effects between Pd and TiH2, 2MgH2-TiH2-0.1Pd owns the lowest dehydrogenation temperature. Furthermore, the Pressure-Composition-Temperature (PCT) curve of 2MgH2-TiH2-0.1Pd is measured at different temperature, 370°C, 350°C, 320°C and 300°C separately. The plateau pressure is given form the PCT curves above. In accordance to different plateau pressures, enthalpy and entropy in the Van’t Hoff equation can be solved. In 2MgH2-TiH2-0.1Pd, the enthalpy is 74.9 KJ/mol and the entropy is 122.9 J/mol. Activation means that hydrogen storage alloy undergoes repeat abs/des-orpting processes. It plays an important role in the abs/des-orption. Activation shortens the abs/des-orption time because of the increase in surface area. From SEM, it is clear that the grain size and surface become smaller and rougher

Keywords: hydrogen storage materials, magnesium hydride, abs-/des-orption performance, Plateau pressure

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Authors: Suman Kumar Adhikary, Zymantus Rudzionis, Arvind Balakrishnan

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This paper deals with the behavior of concrete’s workability in a fresh state and compressive and flexural strength in a hardened state with the addition of polyolefin macro fibers. Four different amounts (3kg/m3, 4.5kg/m3, 6kg/m3 and 9kg/m3) of polyolefin macro fibers mixed in concrete mixture to observe the workability and strength properties difference between the concrete specimens. 20% class C type fly ash added is the concrete as replacement of cement. The water-cement ratio(W/C) of those concrete mix was 0.35. Masterglenium SKY 700 superplasticizer was added to the concrete mixture for better results. Slump test was carried out for determining the flowability. On 7th, 14th and 28th day of curing process compression strength tests were done and on 28th day flexural strength test and CMOD test were carried to differentiate the strength properties and post-cracking behavior of concrete samples.

Keywords: self-compacting concrete, polyolefin fibers, fiber reinforced concrete, CMOD test of concrete

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Authors: Jos Olijve

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Introduction and Purpose: Endotoxins are found in the outer membrane of gram-negative bacteria and have profound in vitro and in vivo responses. They can trigger strong immune responses and negatively affect various cellar activities particular cells expressing toll-like receptors. They are therefore unwanted contaminants of biomaterials sourced from natural raw materials, and their activity must be as low as possible. Collagen and gelatin are natural extracellular matrix components and have, due to their low allergenic potential, suitable biological properties, and tunable physical characteristics, high potential in biomedical applications. The purpose of this study was to determine the influence of autoclave sterilization of gelatin on physical properties and endotoxin level compared to surfactant purified gelatin. Methods: Type A gelatin from Sigma-Aldrich (G1890) with endotoxin level of 35000 endotoxin units (EU) per gram gelatin and type A gelatins from Rousselot Gent with endotoxin activity of 30000 EU per gram were used. A 10 w/w% G1890 gelatin solution was autoclave sterilized during 30 minutes at 121°C and 1 bar over pressure. The physical properties and the endotoxin level of the sterilized G1890 gelatin were compared to a type A gelatin from Rousselot purified with Triton X100 surfactant. The Triton X100 was added to a concentration of 0.5 w/w% which is above the critical micellar concentration. The gelatin surfactant mixtures were kept for 30-45 minutes under constant stirring at 55-60°C. The Triton X100 was removed by active carbon filtration. The endotoxin levels of the gelatins were measured using the Endozyme recombinant factor C method from Hyglos GmbH (Germany). Results and Discussion: Autoclave sterilization significantly affect the physical properties of gelatin. Molecular weight of G1890 decreased from 140 to 50kDa, and gel strength decreased from 300 to 40g. The endotoxin level of the gelatin reduced after sterilization from 35000 EU/g to levels of 400-500 EU/g. These endotoxin levels are however still far above the upper endotoxin level of 0.05 EU/ml, which resembles 5 EU/g gelatin based on a 1% gelatin solution, to avoid cell proliferation alteration. Molecular weight and gel strength of Rousselot gelatin was not altered after Triton X100 purification and remained 150kDa and 300g respectively. The endotoxin levels of Triton X100 purified Rousselot gelatin was < 5EU/g gelatin. Conclusion: Autoclave sterilization of gelatin is, in comparison to Triton X100 purification, not efficient to inactivate endotoxin levels in gelatin to levels below the upper limit to avoid cell proliferation alteration. Autoclave sterilization gave a significant decrease in molecular weight and gel strength which makes autoclave sterilized gelatin, in comparison to Triton X100 purified gelatin, not suitable for 3D printing.

Keywords: endotoxin, gelatin, molecular weight, sterilization, Triton X100

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Authors: Umut Çınar

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The fact that ozone gas has color bleaching properties has made the use of ozone gas widespread in the textile sector as well as in many other sectors. Ozone gas, which is a strong oxidative agent on the fabric, causes the paint on the fabric to wear off and lighten its color with an aged appearance. Within the scope of this thesis, parameters affecting the bleaching properties of ozone gas on reactive dyed knitted fabric, which is rare in the literature, were investigated. Ozone concentration, time, and pH values were analyzed with the Box Behnken experimental design method, and optimum conditions were determined. After the experiments, wear and opacity values were measured with the help of a spectrophotometer. With the help of the Design Expert program, the graphics related to the data were prepared and interpreted with Box Behnken and ANOVA. These experiments on reactive dyed knitted fabric were tested on these parameters, and the spectrophotometric values of the fabric and optimum parameters in abrasion and opacity were revealed.

Keywords: ozone, reactive dye, bleaching, textile, garment wash, sustainability, washing, Box–Behnken, experimental design

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Authors: Robel Legese Meko

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Natural fibers have been used as end-of-life textiles and made into textile products which have become a well-proven and effective way of processing. Nowadays, resources to make primary synthetic fibers are becoming less and less as the world population is rising. Hence it is necessary to develop processes to fabricate textiles that are easily converted to composite materials. Acoustic comfort is closely related to the concept of sound absorption and includes protection against noise. This research paper presents an experimental study on sound absorption coefficients, for natural fiber composite materials: a natural fiber (Coir/Jute) with different blend proportions of raw materials mixed with rigid polyurethane foam as a binder. The natural fiber composite materials were characterized both acoustically (sound absorption coefficient SAC) and also in terms of heat transfer (thermal conductivity). The acoustic absorption coefficient was determined using the impedance tube method according to the ASTM Standard (ASTM E 1050). The influence of the structure of these materials on the sound-absorbing properties was analyzed. The experimental results signify that the porous natural coir/jute composites possess excellent performance in the absorption of high-frequency sound waves, especially above 2000 Hz, and didn’t induce a significant change in the thermal conductivity of the composites. Thus, the sound absorption performances of natural fiber composites based on coir/jute fiber materials promote environmentally friendly solutions.

Keywords: coir/jute fiber, sound absorption coefficients, compression molding, impedance tube, thermal insulating properties, SEM analysis

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Authors: Annu Sheokand, Vinay Kumar

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Hydrogen sulfide (H₂S) detection is essential for environmental monitoring and industrial safety due to its high toxicity, even at low concentrations. This study explores the H₂S gas sensing properties of Cu-doped Fe₂O₃ materials derived from metal-organic frameworks (MOFs), which offer high surface area and controlled porosity for optimized gas sensing. The structural and morphological characteristics of the synthesized material were thoroughly analyzed using techniques such as X-ray Diffraction (XRD), Field Emission Scanning Electron Microscopy (FE-SEM), and UV-Vis Spectroscopy. The resulting sensor exhibited remarkable sensitivity and selectivity, achieving a detection limit at the ppb level for H₂S. The study indicates that Cu doping significantly enhances the gas sensing performance of Fe₂O₃ by introducing abundant active sites within the material. These enhanced sensing properties emphasize the potential of MOF-derived Cu-doped Fe₂O₃ as a highly effective material for H₂S gas sensors in various applications.

Keywords: detection limit, doping, MOF, sensitivity, sensor

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Authors: Daniel Sava, Dragos Gudovan, Iulia Alexandra Gudovan, Ioana Ardelean, Maria Sonmez, Denisa Ficai, Laurentia Alexandrescu, Ecaterina Andronescu

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Graphene and graphene oxide have been intensively studied due to the very good properties, which are intrinsic to the material or come from the easy doping of those with other functional groups. Graphene and graphene oxide have known a broad band of useful applications, in electronic devices, drug delivery systems, medical devices, sensors and opto-electronics, coating materials, sorbents of different agents for environmental applications, etc. The board range of applications does not come only from the use of graphene or graphene oxide alone, or by its prior functionalization with different moieties, but also it is a building block and an important component in many composite devices, its addition coming with new functionalities on the final composite or strengthening the ones that are already existent on the parent product. An attempt to improve the mechanical properties of polyamide elastomers by compounding with graphene oxide in the parent polymer composition was attempted. The addition of the graphene oxide contributes to the properties of the final product, improving the hardness and aging resistance. Graphene oxide has a lower hardness and textile strength, and if the amount of graphene oxide in the final product is not correctly estimated, it can lead to mechanical properties which are comparable to the starting material or even worse, the graphene oxide agglomerates becoming a tearing point in the final material if the amount added is too high (in a value greater than 3% towards the parent material measured in mass percentages). Two different types of tests were done on the obtained materials, the hardness standard test and the tensile strength standard test, and they were made on the obtained materials before and after the aging process. For the aging process, an accelerated aging was used in order to simulate the effect of natural aging over a long period of time. The accelerated aging was made in extreme heat. For all materials, FT-IR spectra were recorded using FT-IR spectroscopy. From the FT-IR spectra only the bands corresponding to the polyamide were intense, while the characteristic bands for graphene oxide were very small in comparison due to the very small amounts introduced in the final composite along with the low absorptivity of the graphene backbone and limited number of functional groups. In conclusion, some compositions showed very promising results, both in tensile strength test and in hardness tests. The best ratio of graphene to elastomer was between 0.6 and 0.8%, this addition extending the life of the product. Acknowledgements: The present work was possible due to the EU-funding grant POSCCE-A2O2.2.1-2013-1, Project No. 638/12.03.2014, code SMIS-CSNR 48652. The financial contribution received from the national project ‘New nanostructured polymeric composites for centre pivot liners, centre plate and other components for the railway industry (RONERANANOSTRUCT)’, No: 18 PTE (PN-III-P2-2.1-PTE-2016-0146) is also acknowledged.

Keywords: graphene, graphene oxide, mechanical properties, dopping effect

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Authors: Tayeb Chihi, Messaoud Fatmi

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We present calculations of the structural, elastic and electronic properties of nonferrous Ti, Zr, and Hf pure metals in both parent and martensite phases in bcc and hcp structures respectively. They are based on the generalized gradient approximation (GGA) within the density functional theory (DFT). The shear modulus, Young's modulus and Poisson's ratio for Ti, Zr, and Hf metals have were calculated and compared with the corresponding experimental values. Using elastic constants obtained from calculations GGA, the bulk modulus along the crystallographic axes of single crystals was calculated. This is in good agreement with experiment for Ti and Zr, whereas the hcp structure for Hf is a prediction. At zero temperature and zero pressure, the bcc crystal structure is found to be mechanically unstable for Ti, Zr, and Hf. In our calculations the hcp structures is correctly found to be stable at the equilibrium volume. In the electronic density of states (DOS), the smaller n(EF) is, the more stable the compound is. Therefore, in agreement with the results obtained from the total energy minimum.

Keywords: Ti, Zr, Hf, pure metals, transformation, energy

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Authors: Emmanuel Ogundimu, Esther Akinlabi, Mutiu Erinosho

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The aim of this paper is to study the effect of welding current on the microstructure and the mechanical properties. Material characterizations were conducted on a 6 mm thick plates of type-304 austenite stainless steel, welded by TIG welding process at two different welding currents of 150 A (Sample F3) and 170 A (Sample F4). The tensile strength and the elongation obtained from sample F4 weld were approximately 584 MPa and 19.3 %; which were higher than sample F3 weld. The average microhardness value of sample F4 weld was found to be 235.7 HV, while that of sample F3 weld was 233.4 HV respectively. Homogenous distribution of iron (Fe), chromium (Cr) and nickel (Ni) were observed at the welded joint of the two samples. The energy dispersive spectroscopy (EDS) analysis revealed that Fe, Cr, and Ni made up the composition formed in the weld zone. The optimum welding current of 170 A for TIG welding of type-304 austenite stainless steel can be recommended for high-tech industrial applications.

Keywords: microhardness, microstructure, tensile, MIG welding, process, tensile, shear stress TIG welding, TIG-MIG welding

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Authors: Iting Chiang, Cheng-Yu Wei, Chin-Teng Kuo, Po-Sheng Hsu, Yo-Lun Yang, Yung-Chang Kang, Chien-Chon Chen, Chih-Yuan Chen

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In recent years, it is reported that microalloying of nitrogen atoms within traditional Cr-Mo-V hot work tool steels can achieve better high temperature mechanical properties, which thus leads to such metallurgical approach widely utilized in the several commercial advanced hot work tool steels. Although the performance of hot work tool steel can be improved better by alloy composition design strategy, the influence of processing parameters on the mechanical property, especially on the service life of hot work tool steel, is still not fully understood yet. A longer service life of hot work tool steel can decrease the manufacturing cost effectively and thus become a research hot spot. According to several previous studies, it is generally acknowledged the service life of hot work tool steels can be increased effectively as the steels possessing higher hardness and toughness due to the formation and propagation of microcracks within the steel can be inhibited effectively. Therefore, in the present research, the designed experiments are primarily to explore the synergistic effect of nitrogen content and austenitization conditioning on the mechanical properties of hot work tool steels has been conducted and analyzed. No matter the nitrogen content, the results indicated the hardness of hot work tool steels increased as the austenitization treatment executed at higher temperature. On the other hand, an optimum toughness of hot work tool steel can be achieved as the austenitization treatment performed at a suitable temperature range. The possible explanation of such metallurgical phenomenon has been also proposed and analyzed in the present research.

Keywords: hot work tool steel, Cr-Mo-V, toughness, hardness, TEM

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Authors: Ece A. Irmak, Amdulla O. Mekhrabov, M. Vedat Akdeniz

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There is a growing interest in the modeling and simulation of magnetic nanoalloys by various computational methods. Magnetic crystalline/amorphous nanoparticles (NP) are interesting materials from both the applied and fundamental points of view, as their properties differ from those of bulk materials and are essential for advanced applications such as high-performance permanent magnets, high-density magnetic recording media, drug carriers, sensors in biomedical technology, etc. As an important magnetic material, Fe-Ni based nanoalloys have promising applications in the chemical industry (catalysis, battery), aerospace and stealth industry (radar absorbing material, jet engine alloys), magnetic biomedical applications (drug delivery, magnetic resonance imaging, biosensor) and computer hardware industry (data storage). The physical and chemical properties of the nanoalloys depend not only on the particle or crystallite size but also on composition and atomic ordering. Therefore, computer modeling is an essential tool to predict structural, electronic, magnetic and optical behavior at atomistic levels and consequently reduce the time for designing and development of new materials with novel/enhanced properties. Although first-principles quantum mechanical methods provide the most accurate results, they require huge computational effort to solve the Schrodinger equation for only a few tens of atoms. On the other hand, molecular dynamics method with appropriate empirical or semi-empirical inter-atomic potentials can give accurate results for the static and dynamic properties of larger systems in a short span of time. In this study, structural evolutions, magnetic and electronic properties of Fe-Ni based nanoalloys have been studied by using molecular dynamics (MD) method in Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and Density Functional Theory (DFT) in the Vienna Ab initio Simulation Package (VASP). The effects of particle size (in 2-10 nm particle size range) and temperature (300-1500 K) on stability and structural evolutions of amorphous and crystalline Fe-Ni bulk/nanoalloys have been investigated by combining molecular dynamic (MD) simulation method with Embedded Atom Model (EAM). EAM is applicable for the Fe-Ni based bimetallic systems because it considers both the pairwise interatomic interaction potentials and electron densities. Structural evolution of Fe-Ni bulk and nanoparticles (NPs) have been studied by calculation of radial distribution functions (RDF), interatomic distances, coordination number, core-to-surface concentration profiles as well as Voronoi analysis and surface energy dependences on temperature and particle size. Moreover, spin-polarized DFT calculations were performed by using a plane-wave basis set with generalized gradient approximation (GGA) exchange and correlation effects in the VASP-MedeA package to predict magnetic and electronic properties of the Fe-Ni based alloys in bulk and nanostructured phases. The result of theoretical modeling and simulations for the structural evolutions, magnetic and electronic properties of Fe-Ni based nanostructured alloys were compared with experimental and other theoretical results published in the literature.

Keywords: density functional theory, embedded atom model, Fe-Ni systems, molecular dynamics, nanoalloys

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Authors: Seyed-Mohammad-Kazem Emami, Behrang Saki, Majid Mohammadian

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The wastewater flow field inside a sewage network including pipe and ‎manhole was investigated using a Computational Fluid Dynamics ‎‎(CFD) model. The numerical model is developed by incorporating a ‎rheological model to calculate the viscosity of wastewater fluid by ‎means of open source toolbox OpenFOAM. The rheological ‎properties of prepared wastewater fluid suspensions are first measured ‎using a BrookField LVDVII Pro+ viscometer with an enhanced UL ‎adapter and then correlated the suitable rheological viscosity model ‎values from the measured rheological properties. The results show the ‎significant effects of rheological characteristics of wastewater fluid on ‎the flow domain of sewer system. Results were compared and ‎discussed with the commonly used Newtonian model to evaluate the ‎differences for velocity profile, pressure and shear stress. ‎

Keywords: Non-Newtonian flows, Wastewater, Numerical simulation, Rheology, Sewage Network

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Authors: Lawrence Koech, Hilary Rutto, Olga Mothibedi

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Worldwide demand for copper has led to intensive search for methods of extraction and recovery of copper from different sources. The study investigates the leaching properties of a low-grade copper ore by optimizing the leaching variables using response surface methodology. The effects of key parameters, i.e., temperature, solid to liquid ratio, stirring speed and pH, on the leaching rate constant was investigated using a pH stat apparatus. A Central Composite Design (CCD) of experiments was used to develop a quadratic model which specifically correlates the leaching variables and the rate constant. The results indicated that the model is in good agreement with the experimental data with a correlation coefficient (R2) of 0.93. The temperature and solid to liquid ratio were found to have the most substantial influence on the leaching rate constant. The optimum operating conditions for copper leaching from the ore were identified as temperature at 65C, solid to liquid ratio at 1.625 and stirring speed of 325 rpm which yielded an average leaching efficiency of 93.16%.

Keywords: copper, leaching, CCD, rate constant

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Authors: Mohammad Saeed Bahramy

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Transition metal dichalcogenides have experienced a resurgence of interest in the past few years owing to their rich properties, ranging from metals and superconductors to strongly spin-orbit-coupled semiconductors and charge-density-wave systems. In all these cases, the transition metal d-electrons mainly determine the ground state properties. This presentation focuses on the chalcogen-derived states. Combining density-functional theory calculations with spin- and angle-resolved photoemission, it is shown that these states generically host a coexistence of type I and type II three-dimensional bulk Dirac fermions as well as ladders of topological surface states and surface resonances. It will be discussed how these naturally arise within a single p-orbital manifold as a general consequence of a trigonal crystal field, and as such can be expected across many compounds. Our finding opens a new route to design topological materials with advanced functionalities.

Keywords: topology, electronic structure, Dirac semimetals, transition metal dichalcogenides

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Authors: B. F. Muhammad, A. M. Abdulqadeer

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The current study determined the effect of fortification using Moringa (Moringa oleifera) Leaves Extract (MLE) at different inclusion levels (0, 6, 8, and 10% v/v) on physicochemical and sensory properties of fullfat (FFY) and lowfat (LFY) yoghurt. The results revealed significantly higher protein (p<0.01), fat (p<0.001) and pH in FFY compared to LFY. The MLE inclusion significantly (p<0.001) increased fat contents of the yoghurt types. The pH of LFY produced with 6% MLE was significantly the lowest (p<0.001). The concentration of Mg (21.0 mg/100g), Na (63.0 mg/100g), Ca (173.0 mg/100g), P (416.7 mg/100g), Cu (0.59 mg/100g), Co (0.30 mg/100g), Fe (1.13 mg/100g), and Mn (0.059 mg/100g) were significantly (p<0.001) higher in 10% MLE inclusion level for both FFY and LFY. Also, Mg, Na, Cu and Fe showed significant (p<0.001) negative correlation in fullfat and positive in lowfat yoghurt. The sensory assessment revealed that taste, flavour, colour, texture, and overall acceptability of yoghurt produced with 6% MLE (rated as liked very much) was significantly (p<0.001) better than that produced with 8 and 10% (rated liked slightly). It was concluded that fortification of FFY and LFY with 6% MLE produced acceptable yoghurt that has high nutritional value.

Keywords: moringa, fortification, yoghurt, bioactive compounds

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Authors: Hatem Diaf, Patrice Melinon, Antonio Pereira, Bernard Moine, Nicholas Blanchard, Florent Bourquard, Florence Garrelie, Christophe Donnet

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Glassy carbon exhibits excellent biological compatibility with live tissues meaning it has high potential for applications in life science. Moreover, glassy carbon has interesting properties including 'high temperature resistance', hardness, low density, low electrical resistance, low friction, and low thermal resistance. The structure of glassy carbon has long been a subject of debate. It is now admitted that glassy carbon is 100% sp2. This term is a little bit confusing as long sp2 hybridization defined from quantum chemistry is related to both properties: threefold configuration and pi bonding (parallel pz orbitals). Using plasma laser deposition of carbon clusters combined with pulsed nano/femto laser annealing, we are able to synthesize thin films of glassy carbon of good quality (probed by G band/ D disorder band ratio in Raman spectroscopy) without thermal post annealing. A careful inspecting of Raman signal, plasmon losses and structure performed by HRTEM (High Resolution Transmission Electron Microscopy) reveals that both properties (threefold and pi orbitals) cannot coexist together. The structure of the films is compared to models including schwarzites based from negatively curved surfaces at the opposite of onions or fullerene-like structures with positively curved surfaces. This study shows that a huge collection of porous carbon named vitreous carbon with different structures can coexist.

Keywords: glassy carbon, cluster deposition, coating, electronic structure

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Authors: Chongtham Jiten, K. Chandramani Singh, Radhapiyari Laishram

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Nanocrystalline powders of the lead-free piezoelectric material, tantalum-substituted potassium sodium niobate (K0.5Na0.5)(Nb0.9Ta0.1)O3 (KNNT), were produced using a Retsch PM100 planetary ball mill by setting the milling time to 15h, 20h, 25h, 30h, 35h and 40h, at a fixed speed of 250rpm. The average particle size of the milled powders was found to decrease from 12nm to 3nm as the milling time increases from 15h to 25h, which is in agreement with the existing theoretical model. An anomalous increase to 98nm and then a drop to 3nm in the particle size were observed as the milling time further increases to 30h and 40h respectively. Various sizes of these starting KNNT powders were used to investigate the effect of milling time on the microstructure, dielectric properties, phase transitions and piezoelectric properties of the resulting KNNT ceramics. The particle size of starting KNNT was somewhat proportional to the grain size. As the milling time increases from 15h to 25h, the resulting ceramics exhibit enhancement in the values of relative density from 94.8% to 95.8%, room temperature dielectric constant (εRT) from 878 to 1213, and piezoelectric charge coefficient (d33) from 108pC/N to 128pC/N. For this range of ceramic samples, grain size refinement suppresses the maximum dielectric constant (εmax), shifts the Curie temperature (Tc) to a lower temperature and the orthorhombic-tetragonal phase transition (Tot) to a higher temperature. Further increase of milling time from 25h to 40h produces a gradual degradation in the values of relative density, εRT, and d33 of the resulting ceramics.

Keywords: perovskite, dielectric, ceramics, high-energy milling

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Authors: Emre Eren, Burak Yigit Katanalp, Murat Tastan, Perviz Ahmedzade, Çigdem Canbay Turkyilmaz, Emrah Turkyilmaz

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This study aimed to investigate the mechanical and high-temperature rheological properties of Ethylene Propylene Diene Monomer (EPDM) modified bitumen. To achieve this, the neat binder was modified with EPDM additive in different percentages: 2% to 5%. The neat and modified binder were subjected to conventional and rheological tests, including penetration and softening point tests, as well as evaluations of their rutting performance and high-temperature viscosity characteristics. Additionally, the mixing and compaction temperatures for hot mix asphalt production were identified using a rotational viscometer. The findings indicated that EPDM is a highly effective bitumen modifier, with the high temperature performance class of the neat binder improving by 3 grades according to the Superpave asphalt grading system.

Keywords: polymer, bitumen, rheology, EPDM, dynamic mechanical analysis

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Authors: Rahmi Kafadar, Levent Genc

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In present study, it was aimed to determine potential agricultural lands (PALs) in Gokceada (Imroz) Island of Canakkale province, Turkey. Seven-band Landsat 8 OLI images acquired on July 12 and August 13, 2013, and their 14-band combination image were used to identify current Land Use Land Cover (LULC) status. Principal Component Analysis (PCA) was applied to three Landsat datasets in order to reduce the correlation between the bands. A total of six Original and PCA images were classified using supervised classification method to obtain the LULC maps including 6 main classes (“Forest”, “Agriculture”, “Water Surface”, “Residential Area-Bare Soil”, “Reforestation” and “Other”). Accuracy assessment was performed by checking the accuracy of 120 randomized points for each LULC maps. The best overall accuracy and Kappa statistic values (90.83%, 0.8791% respectively) were found for PCA images which were generated from 14-bands combined images called 3-B/JA. Digital Elevation Model (DEM) with 15 m spatial resolution (ASTER) was used to consider topographical characteristics. Soil properties were obtained by digitizing 1:25000 scaled soil maps of rural services directorate general. Potential Agricultural Lands (PALs) were determined using Geographic information Systems (GIS). Procedure was applied considering that “Other” class of LULC map may be used for agricultural purposes in the future properties. Overlaying analysis was conducted using Slope (S), Land Use Capability Class (LUCC), Other Soil Properties (OSP) and Land Use Capability Sub-Class (SUBC) properties. A total of 901.62 ha areas within “Other” class (15798.2 ha) of LULC map were determined as PALs. These lands were ranked as “Very Suitable”, “Suitable”, “Moderate Suitable” and “Low Suitable”. It was determined that the 8.03 ha were classified as “Very Suitable” while 18.59 ha as suitable and 11.44 ha as “Moderate Suitable” for PALs. In addition, 756.56 ha were found to be “Low Suitable”. The results obtained from this preliminary study can serve as basis for further studies.

Keywords: digital elevation model (DEM), geographic information systems (GIS), gokceada (Imroz), lANDSAT 8 OLI-TIRS, land use land cover (LULC)

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Authors: Owonikoko Abayomi Dele

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Epilepsy is an unresolved disease that needs urgent attention. It is a brain disorder that affects over sixty-five (65) million people around the globe. Despite the availability of commercial anti-epileptic drugs, the war against this unmet condition is yet to be resolved. Most epilepsy patients are resistant to available anti-epileptic medications thus the need for affordable novel therapy against epilepsy is a necessity. Numerous phytochemicals have been reported for their potency, efficacy and safety as therapeutic agents against many diseases. This study investigated 99 isolated phytochemicals from Chasmanthera dependens and Carissa edulis against carbonic anhydrase (ii) drug target. The absorption, distribution, metabolism, excretion and toxicity (ADMET) of the isolated compounds were examined using admet SAR-2 web server while Swiss ADME was used to analyze the oral bioavailability, drug-likeness and lead-likeness properties of the selected leads. PASS web server was used to predict the biological activities of selected leads while other important physicochemical properties and interactions of the selected leads with the active site of the target after successful molecular docking simulation with the pyrx virtual screening tool were also examined. The results of these study identified seven lead compounds; C49- alpha-carissanol (-7.6 kcal/mol), C13- Catechin (-7.4 kcal/mol), C45- Salicin (-7.4 kcal/mol), C6- Bisnorargemonine (-7.3 kcal/mol), C36- Pallidine (-7.1 kcal/mol), S4- Lacosamide (-7.1 kcal/mol), and S7- Acetazolamide (-6.4 kcal/mol) for CA II (3HS4 receptor). These leads compounds are probable inhibitors of this drug target due to the observed good binding affinities and favourable interactions with the active site of the drug target, excellent ADMET profiles, PASS Properties, drug-likeness, lead-likeness and oral bioavailability properties. The identified leads have better binding energies as compared to the binding energies of the two standards. Thus, seven identified lead compounds can be developed further towards the development of new anti-epileptic medications.

Keywords: drug-likeness, phytochemicals, carbonic anhydrases, metalloeazymes, active site, ADMET

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Authors: Augustine Osayande

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This research is on Major Gullies Erosion Sites and Volume of Soil Loss in Edo State, Nigeria. The primary objective was to identify notable gullies sites and quantify the volume of soil loss in the study area. Direct field observation and measurement of gullies dimensions was done with the help of research assistants using a measuring tape, Camera and 3percent accuracy Global Positioning System (GPS). The result revealed that notable gullies in the area have resulted in the loss of lives and properties, destruction of arable lands and wastage of large areas of usable lands. Gullies in Edo North have Mean Volume of Soil Loss of 614, 763.33 m³, followed by Edo South with 79,604.76 m³ and Edo Central is 46,242.98 m³ and as such an average of 1,772, 888.7m3 of soil is lost annually in the study area due to gully erosion problem. The danger of gully erosion in helpless regions like Edo State called for urgent remedies in order to arrest the further loss of soil, buildings and other properties.

Keywords: Edo, magnitude, gully, volume, soil, sloss

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Authors: Konstans Ruseva, Kristina Ivanova, Katerina Todorova, Margarita Gabrashanska, Tzanko Tzanov, Elena Vassileva

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Zwitterionic polymers (ZP) are well-known with their ultralow biofouling. They are successfully competing with poly(ethylene glycols) (PEG), which are considered as the “golden standard” in this respect. These unique properties are attributed to their strong hydration capacity, defined by the dipole-dipole interactions, arising between the ZP pendant groups as well as to the dipoles interaction with water molecules. Beside, ZP are highly resistant to bacterial adhesion thus ensuring an excellent anti-biofilm formation ability. Moreover, ZP are able to respond upon external stimuli such as temperature, pH, salt concentration changes which in combination with their anti-biofouling effect render this type of polymers as materials with a high potential in biomedical applications. The present work is focused on the development of zwitterionic hydrogels for efficient treatment of highly exudating and hard-to-heal chronic wounds. To this purpose, two types of ZP networks with different crosslinking degree were synthesized - polysulfobetaine (PSB) and polycarboxybetaine (PCB) ones. They were characterized in terms of their physico-mechanical properties, e.g. microhardness, swelling ability, smart behaviour. Furthermore, the potential of ZP networks to resist biofilm formation towards Staphylococcus aureus and Escherichia coli was studied. Their ability to reduce the high levels of myeloperoxidase and metalloproteinase, two enzymes that are part of the chronic wounds enviroenment, was revealed. Moreover, the in vitro cytotoxic assessment of PSB and PCB networks along with their in vivo performance in rats was also studied to reveal their high biocompatibility.

Keywords: absorption properties, biocompatibility, enzymatic inhibition activity, wound healing, zwitterionic polymers

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Authors: Yilmaz Simsek

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In this paper, we study the Bernstein-type basis functions with their generating functions. We give various properties of these polynomials with the aid of their generating functions. These polynomials and generating functions have many valuable applications in mathematics, in probability, in statistics and also in mathematical physics. By using the Bernstein-Galerkin and the Bernstein-Petrov-Galerkin methods, we give some applications of the Bernstein-type polynomials for solving high even-order differential equations with their numerical computations. We also give Bezier-type curves related to the Bernstein-type basis functions. We investigate fundamental properties of these curves. These curves have many applications in mathematics, in computer geometric design and other related areas. Moreover, we simulate these polynomials with their plots for some selected numerical values.

Keywords: generating functions, Bernstein basis functions, Bernstein polynomials, Bezier curves, differential equations

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Authors: Gaurav Malik, Satyendra Mourya, Jyoti Jaiswal, Ramesh Chandra

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The attractive and multifunctional properties of ZnO make it a promising material for the fabrication of highly sensitive and selective efficient gas sensors at room temperature. This presented article focuses on the development of highly selective and sensitive H₂ gas sensor based on the Pd-Pt decorated ZnO framework and its sensing mechanisms. The gas sensing performance of sputter made Pd-Pt/ZnO electrode on anodized porous silicon (PSi) substrate toward H₂ gas is studied under low detection limit (2–500 ppm) of H₂ in the air. The chemiresistive sensor demonstrated sublimate selectivity, good sensing response, and fast response/recovery time with excellent stability towards H₂ at low temperature operation under ambient environment. The elaborate selective measurement of Pd-Pt/ZnO/PSi structure was performed towards different oxidizing and reducing gases. This structure exhibited advance and reversible response to H₂ gas, which revealed that the acquired architecture with ZnO framework is a promising candidate for H₂ gas sensor.

Keywords: sputtering, porous silicon, ZnO framework, XPS spectra, gas sensor

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