Search results for: photorefractive crystal

Authors: Azna Zuberi

Abstract:

Biofilm is a sessile bacterial accretion in which bacteria adapts different physiological and morphological behavior from planktonic form. It is the root cause of about 80% microbial infections in human. Among them, E. coli biofilms are most prevalent in medical devices associated nosocomial infections. The objective of this study was to inhibit biofilm formation by targeting LuxS gene, involved in quorum sensing using CRISPRi. luxS is a synthase, involved in the synthesis of Autoinducer-2(AI-2), which in turn guides the initial stage of biofilm formation. To implement CRISPRi system, we have synthesized complementary sgRNA to target gene sequence and co-expressed with dCas9. Suppression of luxS was confirmed through qRT-PCR. The effect of luxS gene on biofilm inhibition was studied through crystal violet assay, XTT reduction assay and scanning electron microscopy. We conclude that CRISPRi system could be a potential strategy to inhibit bacterial biofilm through mechanism base approach.

Keywords: biofilm, CRISPRi, luxS, microbial

Procedia PDF Downloads 157

Authors: Beulah Rani Inbanathan

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In the present era, it is vivid from the numerous outcomes that data privacy is being compromised in various ways. Machine learning is one technology that uses the centralized server, and then data is given as input which is being analyzed by the algorithms present on this mentioned server, and hence outputs are predicted. However, each time the data must be sent by the user as the algorithm will analyze the input data in order to predict the output, which is prone to threats. The solution to overcome this issue is federated learning, where the models alone get updated while the data resides on the local machine and does not get exchanged with the other local models. Nevertheless, even on these local models, there are chances of data poisoning, and it is crystal clear from various experiments done by many people. This paper delves into many ways where data poisoning occurs and the many methods through which it is prevalent that data poisoning still exists. It includes the poisoning attacks on IoT devices, Edge devices, Autoregressive model, and also, on Industrial IoT systems and also, few points on how these could be evadible in order to protect our data which is personal, or sensitive, or harmful when exposed.

Keywords: data poisoning, federated learning, Internet of Things, edge computing

Procedia PDF Downloads 62

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

Procedia PDF Downloads 329

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

Procedia PDF Downloads 132

Authors: M. Abdel-Hamid, P. Saporito, R. V. Mateiu, A. Osman, E. Romeih, H. Jenssen

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Camel milk whey (CMW) was hydrolyzed with papain from Carica papaya and fractionated by size exclusion chromatography (SEC). The antibacterial and anti-biofilm activity of the CMW, Camel milk whey hydrolysate (CMWH) and the obtained SEC-fractions was assessed against Pseudomonas aeruginosa and Methicillin-resistant Staphylococcus aureus (MRSA). SEC-F2 (fraction 2) exhibited antibacterial effectiveness against MRSA and P. aeruginosa with the minimum inhibitory concentration of 0.31 and 0.156 mg/ml, respectively. Furthermore, SEC-F2 significantly decreased biofilm biomass by 71% and 83 % for MRSA and P. aeruginosa in a crystal violet microplate assay. Scanning electron microscopy showed that the SEC-F2 caused changes in the treated bacterial cells. Additionally, LC/MS analysis was used to characterize the peptides of SEC-F2. Two major peptides were detected in SEC-F2 having masses of 414.05 Da and 456.06 Da. In conclusion, this study has demonstrated that hydrolysis of CMW with papain generates small and extremely potent antibacterial and anti-biofilm peptides against both MRSA and P. aeruginosa.

Keywords: camel milk, whey proteins, antibacterial peptide, anti-biofilm

Procedia PDF Downloads 191

Authors: N. Moudir, N. Moulai-Mostefa, Y. Boukennous, I. Bozetine, N. Kamel, D. Moudir

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the study focuses on a novel process of silver powders synthesis for the preparation of conductive pastes used for solar cells metalization. Butyl-Carbitol and butyl-carbitol Acetate have been used as solvents and reducing agents of silver nitrate (AgNO3) as precursor to get silver powders. XRD characterization revealed silver powders with a cubic crystal system. SEM micro graphs showed spherical morphology of the particles. Laser granulometer gives similar particles distribution for the two agents. Using same glass frit and organic vehicle for comparative purposes, two conductive pastes were prepared with the synthesized silver powders for the front-side metalization of multi-crystalline cells. The pastes provided acceptable fill factor of 59.5 % and 60.8 % respectively.

Keywords: chemical reduction, conductive paste, silver nitrate, solar cell

Procedia PDF Downloads 287

Authors: Ana Paula Rosifini Alves Claro, André Luiz Reis Rangel, Nathan Trujillo, Ketul C. Popat

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In the present work, in vitro cytotoxicity was evaluated after nanotubes growth on Ti15Mo alloy surface. TiO2 nanotubes were obtained by anodizing technique at room temperature in an electrolyte with 0.25 %NH4F and glycerol at a constant anodic potential of 20 V for 24 hours. The morphology of nanotubes was observed by field emission scanning electron microscopy (FE-SEM; XL 30 FEG, Philips). Crystal structure was analyzed by wide-angle X-ray diffraction. A cell culture model using human fibroblast-like cells was used to study the effect of TiO2 nanotubes growth on the cytotoxicity of the Ti15Mo alloy for 1, 4 and 7 days culture period. The MTT assay was used to evaluate cell viability and cell adhesion was evaluated by scanning electron microscopy. Results show that Ti15Mo alloy with TiO2 nanotubes on surface is nontoxic and exhibit good interaction with surface.

Keywords: titanium alloys, TiO2 nanotubes, cell growth, Ti-15Mo alloy

Procedia PDF Downloads 462

Authors: Hong Seung Kim, Chang Hoi Kim, Lili Yue

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Single-phase, high band gap energy Zn0.5Mg0.5O films were grown under oxygen pressure, using pulse laser deposition with a Zn0.5Mg0.5O target. Structural characterization studies revealed that the crystal structures of the ZnX-1MgXO films could be controlled via changes in the oxygen pressure. TEM analysis showed that the thickness of the deposited Zn1-xMgxO thin films was 50–75 nm. As the oxygen pressure increased, we found that one axis of the crystals did not show a very significant increase in the crystallization compared with that observed at low oxygen pressure. The X-ray diffraction peak intensity for the hexagonal-ZnMgO (002) plane increased relative to that for the cubic-ZnMgO (111) plane. The corresponding c-axis of the h-ZnMgO lattice constant increased from 5.141 to 5.148 Å, and the a-axis of the c-ZnMgO lattice constant decreased from 4.255 to 4.250 Å. EDX analysis showed that the Mg content in the mixed-phase ZnMgO films decreased significantly, from 54.25 to 46.96 at.%. As the oxygen pressure was increased from 100 to 150 mTorr, the absorption edge red-shifted from 3.96 to 3.81 eV; however, a film grown at the highest oxygen pressure tested here (200 mTorr).

Keywords: MgO, UV LED, ZnMgO, ZnO

Procedia PDF Downloads 385

Authors: L. Foudia, K. Haddadi, M. Reffas

Abstract:

First principles study of structural, elastic, electronic and optical properties of the monoclinic perovskite type ScRhO₃ has been reported using the pseudo-potential plane wave method within the local density approximation. The calculated lattice parameters, including the lattice constants and angle β, are in excellent agreement with the available experimental data, which proving the reliability of the chosen theoretical approach. Pressure dependence up to 20 GPa of the single crystal and polycrystalline elastic constants has been investigated in details using the strain-stress approach. The mechanical stability, ductility, average elastic wave velocity, Debye temperature and elastic anisotropy were also assessed. Electronic band structure and density of states (DOS) demonstrated its semiconducting nature showing a direct band gap of 1.38 eV. Furthermore, several optical properties, such as absorption coefficient, reflectivity, refractive index, dielectric function, optical conductivity and electron energy loss function, have been calculated for radiation up to 40 eV.

Keywords: ab-initio, perovskite, DFT, band gap

Procedia PDF Downloads 49

Authors: M. Kaviani Darani, S. Bastani, M. Ghahari, P. Kardar

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In this paper the NaYF4: Yb3+, Tm3+ nanocrystals were synthesized by hydrothermal method. Different chelating ligand type (citric acid, butanoic acid, and AOT) was selected to investigate the effect of their concentration on upconversion efficiency. Crystal structure and morphology have been well characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analysis. Photo luminescence were recorded on a spectrophotometer equipped with 980 nm laser diode az excitation source and an integerating sphere. The products with various morphologies range from sphere to cubic, hexagonal,prism and nanorods were prepared at different ratios. The particle size was found to be dependent on the nucleation rate, which, in turn, was affected by type and concentration of ligands. The optimum amount of chelate to RE ratio was obtained 0.75, 1.5, and 1 for Citric Acid, Butanoic Acid and AOT, respectively. Emissions in the UV (1D2-3H6), blue-violet(1D2-3F4), blue (1G4-3H6), red (1G4-3F4), and NIR (1G4-3H5) were observed and were the direct result of subsequent transfers of energy from the Yb3+ ion to the Tm3+ ion.

Keywords: upconversion nanoparticles, NaYF4, lanthanide, hydrothermal

Procedia PDF Downloads 234

Authors: Crystal Jewell

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Substantial evidence suggests a link exists between trait or dispositional mindfulness and creativity. While most studies on the mindfulness-creativity link focus on measures of divergent thinking, no study to date has explored the link through the lens of poetry writing. Thus, the present study sought to examine the relation between mindfulness and poetry through various linguistic elements, including word count, references to the self versus references to the collective, and frequency of past-, present-, and future-tense verb usage. Following a questionnaire on demographics, university undergraduates at a United States college completed a survey measuring trait mindfulness, then engaged in a two-part associated poetry-writing task intended to mimic writing tasks used to counter writer’s block. Results indicated no significant relations among any measures of poetry linguistic elements and trait mindfulness, as well as the facets of trait mindfulness. Limitations and future directions call for replication of results and further examination of different poetry linguistic elements.

Keywords: mindfulness, poetry, linguistics, psychology

Procedia PDF Downloads 51

Authors: Yingqian Chen, Sergei Manzhos

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Organic electrodes are a way to achieve high rate (high power) and environment-friendly batteries. We present a computational density functional theory study of Li and Na storage in tetracyanoethylene based molecular and crystalline materials. Up to five Li and Na atoms can be stored on TCNE chemisorbed on doped graphene (corresponding to ~1000 mAh/gTCNE), with binding energies stronger than cohesive energies of the Li and Na metals by 1-2 eV. TCNE has been experimentally shown to form a crystalline material with Li with stoichiometry Li-TCNE. We confirm this computationally and also predict that a similar crystal based of Na-TCNE is also stable. These crystalline materials have well defined channels for facile Li or Na ion insertion and diffusion. Specifically, Li and Na binding energies in Li-TCNE and Na-TCNE crystals are about 1.5 eV and stronger than the cohesive energy of Li and Na, respectively. TCNE immobilized on conducting graphene-based substrates and Li/Na-TCNE crystals could therefore become efficient anode materials for organic Li and Na ion batteries, with which it should also be possible to avoid reduction of common battery electrolytes.

Keywords: organic ion batteries, tetracyanoethylene, cohesive energies, electrolytes

Procedia PDF Downloads 607

Authors: Gulcan Sahal, Nermin Hande Avcioglu, Isil Seyis Bilkay

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Klebsiella species which are natural colonizers of human upper respiratory and human gastrointestinal tracts are also responsible for every reoccurring nosocomial infections by means of having ability to form slimy layers known as biofilm on many surfaces. Therefore, in this study, investigation of biofilm formation in K. pneumoniae and K. rhinoscleromatis and examination of each Klebsiella strains’ clinical information in the light of their biofilm formation results were aimed. In this respect, biofilm formation of Klebsiella strains was analyzed via crystal violet binding assay. According to our results, biofilm formation levels of K. pneumoniae and K. rhinoscleromatis strains were different from each other. Additionally, in comparison to K. rhinoscleromatis strains, K. pneumoniae was observed to include higher amounts of strong biofilm forming strains. Besides, it was also seen that clinical information of patients from which strong biofilm forming Klebsiella strains were isolated were similar to each other. Our results indicate that there should be more precautions against K. pneumoniae which includes higher amount of strong biofilm forming strains.

Keywords: biofilm formation, Klebsiella pneumoniae, Klebsiella rhinoscleromatis, biosystems engineering

Procedia PDF Downloads 367

Authors: M. Simchi, M. Amiri, E. Rezvani, I. Mirzaei, M. Berahman, A. Simchi, M. Fardmanesh

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Graphene is a single-atomic two-dimensional crystal of carbon atoms that has considerable properties due to its unique structure and physics with applications in different fields. Graphene has sensitive electrical properties due to its atomic-thin structure. Along with the substrate materials and their influence on the transport properties in graphene, design and fabrication of graphene-based devices for biomedical and biosensor applications are challenging. In this work, large-area high-quality graphene nanosheets were prepared by low pressure chemical vapor deposition using methane gas as carbon source on copper foil and transferred on the biocompatible substrates. Through deposition of titanium and gold contacts, current-voltage response of the transferred graphene on four biocompatible substrates, including PDMS, SU-8, Nitrocellulose, and Kapton (Fig. 2) were experimentally determined. The considerable effect of the substrate type on the electrical properties of graphene is shown. The sheet resistance of graphene is changed from 0.34 to 14.5 kΩ/sq, depending on the substrate.

Keywords: biocompatible substrates, electrical properties, graphene, sheet resistance

Procedia PDF Downloads 112

Authors: L. Foudia, K. Haddadi, M. Reffas

Abstract:

First principles study of structural, elastic, electronic and optical properties of the monoclinic perovskite type ScRhO₃ has been reported using the pseudo-potential plane wave method within the local density approximation. The calculated lattice parameters, including the lattice constants and angle β are in excellent agreement with the available experimental data, which proving the reliability of the chosen theoretical approach. Pressure dependence up to 20 GPa of the single crystal and polycrystalline elastic constants has been investigated in details using the strain-stress approach. The mechanical stability, ductility, average elastic wave velocity, Debye temperature and elastic anisotropy were also assessed. Electronic band structure and density of states (DOS) demonstrated its semiconducting nature showing a direct band gap of 1.38 eV. Furthermore, several optical properties, such as absorption coefficient, reflectivity, refractive index, dielectric function, optical conductivity and electron energy loss function have been calculated for radiation up to 40 eV.

Keywords: ab-initio, perovskite, DFT, band gap.

Procedia PDF Downloads 47

Authors: Yufei Peng, Zhen Qin, Jianbe Li, Jidong Long

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The thermal cathode is widely used in accelerators, FELs and kinds of vacuum electronics. However, emission nonuniformity exists due to surface profile, material distribution, temperature variation, crystal orientation, etc., which will cause intrinsic emittance growth, brightness decline, envelope size augment, device performance deterioration or even failure. To understand how emittance is manipulated by emission nonuniformity, an intrinsic emittance model consisting of contributions from macro and micro surface nonuniformity is developed analytically based on general thermal emission model at temperature limited regime according to a real 3mm cathode. The model shows relative emittance increased about 50% due to temperature variation, and less than 5% from several kinds of micro surface nonuniformity which is much smaller than other research. Otherwise, we also calculated emittance growth combining with Monte Carlo method and PIC simulation, experiments of emission uniformity and emittance measurement are going to be carried out separately.

Keywords: thermal cathode, electron emission fluctuation, intrinsic emittance, surface nonuniformity, cathode lifetime

Procedia PDF Downloads 271

Authors: Messai Amel, Badis Zakaria, Benali-Cherif Nourredine, Dominique Luneaub

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We are interested in molecular polymetallic species having high spin and nuclearities in relation to the field of so call single-molecule magnets (SMMs). The goal is to find a way to synthesis metal clusters which may have application in magnetism and nano sciences. With this purpose, we decided to investigate the coordination chemistry of the Schiff base. Along this way we were able to create cubane-like complexes and elaborate new Single Molecule-Magnets. The idea was to use Schiff base ligands and different metals to generate high nuclear complexes. Complexation of Shiff base with copper (II) has been investigated. Tetra nuclear complex with a cubane like core have been synthesized with (Sciff base), with the same base and cobalt (II) we obtain an other single magnetic complex completely different. In this presentation, we report the synthesis, crystal structure and magnetic properties of the tetranuclear compound (Cu4 L4), and the tetranuclear compound. (Co4L4)

Keywords: cluster-assembled materials, magnetic compounds, Sciff base, cupper, cobalt

Procedia PDF Downloads 418

Authors: Kanchana Sitlaothaworn

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Yogurt capsule was made by mixing 14% w/v of reconstitution of skim milk with 2% FOS. The mixture was fermented by commercial yogurt starter comprising Lactobacillus bulgaricus and Streptococcus thermophilus. These yogurts were made as yogurt powder by freeze-dried. Yogurt powder was put into capsule then stored for 28 days at 4oc. 8ml of commercial yogurt was found to be the most suitable inoculum size in yogurt production. After freeze-dried, the viability of L. bulgaricus and S. thermophilus reduced from 109 to 107 cfu/g. The precence of sucrose cannot help to protect cell from ice crystal formation in freeze-dried process, high (20%) sucrose reduced L. bulgaricus and S. thermophilus growth during fermentation of yogurt. The addition of FOS had reduced slowly the viability of both L. bulgaricus and S. thermophilus similar to control (without FOS) during 28 days of capsule storage. The viable cell exhibited satisfactory viability level in capsule storage (6.7x106cfu/g) during 21 days at 4oC.

Keywords: yogurt capsule, Lactobacillus bulgaricus, Streptococcus thermophilus, freeze-drying, sucrose

Procedia PDF Downloads 301

Authors: Khalid H. Abass

Abstract:

Al-Ni-Cr alloy contains different ratios of Ni and Cr was prepared by mixing Al, Ni and Cr at 800oC under an argon atmosphere. The prepared alloys were heated for 1300 hr to 560oC, and then cooled rapidly by water at the ambient temperature. Surface morphology for alloys is studied by scanning electron microscope (SEM). The resultant homogeneous surface is a result of heat treatment. The X-ray diffraction patterns showed (111), (200), and (220) diffraction lines from cubic Al crystal structure, and suggested that the intensity of peak (111) orientation is predominant. Three binary phases were observed and grown in alloys: Al3Ni (Orthorhombic, a = 6.598Ǻ, b = 7.352 Ǻ, c = 4.802 Ǻ), Cr9Al17 (Rhombohedra, a = 12.910 Ǻ, c = 15.677), and Ni2Cr3 (Tetragonal, a = 8.82 Ǻ, c = 4.58 Ǻ). The average crystallite sizes of the prepared samples were found to be from 3000 to 3094 nm by SEM, which is much smaller than that estimated from XRD data. Corrosion resistance increases with increasing Ni-Cr content in Al alloys. The electrical volume resistivity decreased with increasing Ni-Cr content at low frequency. This behavior can be seen generally at 50Hz, where the electrical volume resistivity reached the value of 3.98×10-8Ω.cm for the ratio Al-1.8 at.%Ni-0.18at.%Cr.

Keywords: Al-Ni-Cr alloy, corrosion current, electrical volume resistivity, binary phase, homogeneous surface

Procedia PDF Downloads 369

Authors: Gulcan Sahal, Behzad Nasseri, Ali Akbar Ebrahimi, Isil Seyis Bilkay

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Proteus mirabilis strains which are natural colonizers of healthy individuals’ gastrointestinal tract are also known as common causes of catheter-associated urinary tract infections. Nowadays, as a result of an increased resistance to various antimicrobial drugs, there has been a growing interest in natural products. Therefore, the aim of this study is to investigate biofilm formation of P. mirabilis strains on lemongrass oil containing polycaprolactone nanofibers. Polycaprolactone nanofibers with different lemongrass oil concentrations were successfully prepared by electrospinning and biofilm formation of P. mirabilis on these nanofibers were determined by ‘Crystal Violet Staining Assay’. According to our results, polycaprolactone nanofibers with some lemongrass oil concentrations, decreased biofilm formation of P. mirabilis and this effect increased in parallel with the increase in lemongrass oil concentration. Our results indicate that, polycaprolactone nanofibers with some concentrations of lemongrass oil may provide a treatment against catheter-associated urinary tract infections by means of causing an inhibition on biofilm formation of P. mirabilis.

Keywords: anti-biofilm, biofilm formation, essential oils, nanofibers, proteus mirabilis

Procedia PDF Downloads 390

Authors: A. Kellou, L. Rouaiguia, L. Rabahi

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In the present work, the atomic hydrogen absorption trend in the GdNi5 and GdNi4Cu rare earth compounds within the hexagonal CaCu5 type of crystal structure (space group P6/mmm) is investigated. The density functional theory (DFT) combined with the generalized gradient approximation (GGA) is used to study the site preference of atomic hydrogen at 0K. The octahedral and tetrahedral interstitial sites are considered. The formation energies and structural properties are determined in order to evaluate hydrogen effects on the stability of the studied compounds. The energetic diagram of hydrogen storage is established and compared in GdNi5 and GdNi4Cu. The magnetic properties of the selected compounds are determined using spin polarized calculations. The obtained results are discussed with and without hydrogen addition taking into account available theoretical and experimental results.

Keywords: density functional theory, hydrogen storage, rare earth compounds, structural and magnetic properties

Procedia PDF Downloads 88

Authors: Florian Kleber, Martin Kampel

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The increasing demand of gallium, indium and rare-earth elements for the production of electronics, e.g. solid state-lighting, photovoltaics, integrated circuits, and liquid crystal displays, will exceed the world-wide supply according to current forecasts. Recycling systems to reclaim these materials are not yet in place, which challenges the sustainability of these technologies. This paper proposes a multispectral imaging system as a basis for a vision based recognition system for valuable components of electronics waste. Multispectral images intend to enhance the contrast of images of printed circuit boards (single components, as well as labels) for further analysis, such as optical character recognition and entire printed circuit board recognition. The results show that a higher contrast is achieved in the near infrared compared to ultraviolet and visible light.

Keywords: electronics waste, multispectral imaging, printed circuit boards, rare-earth elements

Procedia PDF Downloads 395

Authors: Minna Theres James, Nirmal K Sebastian, Shoubhik Mandal, Pramita Mishra, R Ganesan, P S Anil Kumar

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We report the temperature-dependent evolution of Raman spectra of type-II Dirac semimetal (DSM) NiTe2 (001) in the form of bulk single crystal and a nanoflake (200 nm thick) for the first time. A physical model that can quantitatively explain the evolution of out of plane A1g and in-plane E1g Raman modes is used. The non-linear variation of peak positions of the Raman modes with temperature is explained by anharmonic three-phonon and four-phonon processes along with thermal expansion of the lattice. We also observe prominent effect of electron-phonon coupling from the variation of FWHM of the peaks with temperature, indicating the metallicity of the samples. Raman mode E1 1g corresponding to an in plane vibration disappears on decreasing the thickness from bulk to nanoflake.

Keywords: raman spectroscopy, type 2 dirac semimetal, nickel telluride, phonon-phonon coupling, electron phonon coupling, transition metal dichalcogonide

Procedia PDF Downloads 85

Authors: M. A. Ghebouli, H. Choutri, B. Ghebouli , M. Fatmi, L. Louail

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We employed the density-functional perturbation theory (DFPT) within the generalized gradient approximation (GGA), the local density approximation (LDA) and the virtual-crystal approximation (VCA) to study the effect of composition on the structure, stability, energy gaps, electron effective mass, the dynamic effective charge, optical and acoustical phonon frequencies and static and high dielectric constants of the rock-salt CaxMg1-xSe and CaxMg1-xTe alloys. The computed equilibrium lattice constant and bulk modulus show an important deviation from the linear concentration. From the Voigt-Reuss-Hill approximation, CaxMg1-xSe and CaxMg1-xTe present lower stiffness and lateral expansion. For Ca content ranging between 0.25-0.75, the elastic constants, energy gaps, electron effective mass and dynamic effective charge are predictions. The elastic constants and computed phonon dispersion curves indicate that these alloys are mechanically stable.

Keywords: CaxMg1-xSe, CaxMg1-xTe, band structure, phonon

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Authors: Mohamedou El Boukhary, Farba Bouyagui Tamboura, A. Hamady Barry, Mohamed L. Gaye

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Nowadays, low-schiff acyl-hydrazone ligands are highly sought after due to their wide applications in various fields of biology, coordination chemistry and catalysis. They are studied for their antioxidant, antibacterial and antiviral properties. The complexes of transition metals and the lanthanide they derive are well known for their magnetic, optical and catalytic properties. In this work, we present the synthesis of an acyl-hydrazone (H2L) Schiff base and its 3d transition complexes. The ligand (H2L) is characterized by IR, NMR (1H; 13C) spectroscopy. The complexes are characterized by different physic-chemical techniques such as IR, UV-visible, conductivity, and measurement of magnetic susceptibility. The study of XRD allowed us to elucidate the crystalline structure of the manganese (Mn) complex. The asymmetric unit of the complex is composed of two molecules of the ligand, one manganese (II) ion and two coordinate chloride ions; the environment around Mn is described as a pentagonal base bipyramid. In the crystal lattice, the asymmetric unit is bound by hydrogen bonds.

Keywords: synthene, acyl-hydrazone, 3d transition metal complex, application

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Authors: Lawan Muhammad Adam, Abduljabar Hilal Alsayoud

Abstract:

One of the most promising techniques to produce pure hydrogen is through a palladium-based membrane (Pd-membrane). Density functional theory (DFT) is employed in this work to examine how the physical and chemical adsorption properties of hydrogen on the surface of Pd-Pt can be mutated in the presence of contaminating gases, CH₄, CO, and CO₂. The main target is to survey the energy topology related to hydrogen adsorption while adjusting the stages of freedom in both the structure and composition. The adsorption sites, crystal plane of the slab, and relative orientation of the adsorbed molecules on its surface, as well as various arrangements of adsorbed species, have been considered in this study. The dependency of hydrogen adsorption on surface coverage is studied. The study demonstrated the physical adsorption energies of the molecules on the surface concerning the different coverages of hydrogen atoms. The most stable combinations of the adsorption sites (Top, Hollow, and Bridge) with various orientations of gaseous molecules on the Pd-Pt surface were identified according to their calculated energies. When the binding of contaminating gaseous species to the Pd-Pt surface and their impact on the physical adsorption energies of the H₂ are examined, it is observed that the most poisonous gas relative to all other gases modifies the energetics of the adsorption process of hydrogen on the surface.

Keywords: DFT, Pd-Pt-membrane, H₂, CO, CO₂

Procedia PDF Downloads 38

Authors: Mehrab Masayeed Habib, Tasneem Sanjana, Ahmed Amin Rumel

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Automated car anti-collision system is a trending technology of science. A car anti-collision system is an automobile safety system. The aim of this paper was to describe designing a car anti-collision system device to reduce the severity of an accident. The purpose of this device is to prevent collision among cars and objects to reduce the accidental death of human. This project gives an overview of secure & smooth journey of car as well as the certainty of human life. This system is controlled by microcontroller PIC. Sharp distance sensor is used to detect any object within the danger range. A crystal oscillator is used to produce the oscillation and generates the clock pulse of the microcontroller. An LCD is used to give information about the safe distance and a buzzer is used as alarm. An actuator is used as automatic break and inside the actuator; there is a motor driver that runs the actuator. For coding ‘microC PRO for PIC’ was used and ’Proteus Design Suite version 8 Software’ was used for simulation.

Keywords: sharp distance sensor, microcontroller, MicroC PRO for PIC, proteus, actuator, automobile anti-collision system

Procedia PDF Downloads 440

Authors: Mingchuan Zhou, Haitao Zhang, Hongfang Ma, Weiyong Ying

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Alumina supported PtSn catalysts with cylindrical particles were prepared and characterized by using low temperature N2 adsorption/desorption and X-ray diffraction. Low temperature N2 adsorption/desorption demonstrate that the tableting changed the texture properties of catalysts. XRD pattern indicate that the crystal structure of supports had no change after reaction. The performances over particles of PtSn/Al2O3 catalysts were investigated with regards to reaction temperature, pressure, and H2/AcOH mole ratio. After tableting, the conversion of acetic acid and selectivity of ethanol and acetyl acetate decreased. High reaction temperature and pressure can improve conversion of acetic acid. H2/AcOH mole ratio of 9.36 showed the best performance on acetic acid hydrogenation. High pressure had benefits for the selectivity of ethanol and other two parameters had no obvious effect on selectivity.  

Keywords: acetic acid hydrogenation, cylindrical particles, ethanol, PtSn

Procedia PDF Downloads 293

Authors: Indah Kurniawaty, Yoki Yulizar, Haryo Satriya Oktaviano, Adam Kusuma Rianto

Abstract:

Magnesium oxide nanoparticles (MgO NP) were successfully synthesized in this study using a one-pot green synthesis mediated by Calliandra Calothyrsus leaf extract (CLE). CLE was prepared by maceration of the leaf using methanol with a ratio of 1:5 for 7 days. Secondary metabolites in CLE, such as alkaloids and flavonoids, served as a weak base provider and capping agent in the formation of MgO NP. CLE Fourier Transform Infra-Red (FTIR) spectra peak at 3255, 1600, 1384, 1205, 1041, and 667 cm-1 showing the presence of vibrations O-H stretching, N-H bending, C-C stretching, C-N stretching and N-H wagging. During the experiment, different CLE volumes and calcined temperatures were used, resulting in a variety of structures. Energy Dispersive X-ray Spectrometer (EDS) and FTIR were used to characterize metal oxide particles. MgO diffraction pattern at 2θ of 36.9°; 42.9°; 62.2°; 74.6°; and 78.5° which can be assigned to crystal planes (111), (200), (220), (311), and (222), respectively. Scanning Electron Microscopy (SEM) was used to characterize the surface morphology. The morphology ranged from sphere to flower-like resulting in crystallite sizes of 28, 23, 12, and 9 nm.

Keywords: MgO, nanoparticle, calliandra calothyrsus, green-synthesis

Procedia PDF Downloads 55

Authors: S. B. Bansode, V. G. Wagh, R. S. Kapadnis, S. S. Kale, M. Pathan Habib

Abstract:

Indium sulfide films have been deposited using chemical bath deposition onto glass and indium tin oxide coated glass substrates. The influences of different deposition parameters viz. substrate and pH have been studied. The films were characterized by different techniques with respect to their crystal structure, surface morphology and compositional property by means of X-ray diffraction, scanning electron microscopy, Energy dispersive spectroscopy and optical absorption. X-ray diffraction studies revealed that amorphous nature of the films. The scanning electron microscopy of as deposited indium sulfide film on ITO coated glass substrate shows random orientation of grains where as those on glass substrates show dumbbell shape. Optical absorption study revealed that band gap varies from 2.29 to 2.79 eV for the deposited film.

Keywords: chemical bath deposition, optical properties, structural property, Indium sulfide

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