Search results for: textural properties
6728 Quantum Entangled States and Image Processing
Authors: Sanjay Singh, Sushil Kumar, Rashmi Jain
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Quantum registering is another pattern in computational hypothesis and a quantum mechanical framework has a few helpful properties like Entanglement. We plan to store data concerning the structure and substance of a basic picture in a quantum framework. Consider a variety of n qubits which we propose to use as our memory stockpiling. In recent years classical processing is switched to quantum image processing. Quantum image processing is an elegant approach to overcome the problems of its classical counter parts. Image storage, retrieval and its processing on quantum machines is an emerging area. Although quantum machines do not exist in physical reality but theoretical algorithms developed based on quantum entangled states gives new insights to process the classical images in quantum domain. Here in the present work, we give the brief overview, such that how entangled states can be useful for quantum image storage and retrieval. We discuss the properties of tripartite Greenberger-Horne-Zeilinger and W states and their usefulness to store the shapes which may consist three vertices. We also propose the techniques to store shapes having more than three vertices.Keywords: Greenberger-Horne-Zeilinger, image storage and retrieval, quantum entanglement, W states
Procedia PDF Downloads 3066727 Screening of Selected Medicinal Plants from Jordan for Their Protective Properties against Oxidative DNA Damage and Mutagenecity
Authors: Karem H. Alzoubi, Ahmad S. Alkofahi, Omar F. Khabour, Nizar M. Mhaidat
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Herbal medicinal products represent a major focus for drug development and industry and it holds a significant share in drug-market all over the globe. In here, selected medicinal plant extracts from Jordan with high antioxidative capacity were tested for their protective effect against oxidative DNA damage using in vitro 8-hydroxydeoxyguanisine and sister chromatid exchanges (SCEs) assays in cultured human lymphocytes. The following plant extracts were tested Cupressus sempervirens L., Psidium guajava (L.) Gaerth., Silybum marianum L., Malva sylvestris L., Varthemia iphionoides Boiss., Eminium spiculatum L. Blume, Pistachia palaestina Boiss., Artemisia herba-alba Asso, Ficus carica L., Morus alba Linn , Cucumis sativus L., Eucalyptus camaldulensis Dehnh., Salvia triloba L., Zizyphus spina-christi L. Desf., and Laurus nobilis L. A fractionation scheme for the active plant extracts of the above was followed. Plants extract fractions with best protective properties against DNA damage included hexane fraction of S. marianum L. (aerial parts), chloroform fractions of P. palaestina Boiss. (Fruits), ethanolic fractions of E. camaldulensis Dehnh (leaves), S. triloba L. (leaves), and ethanolic fractions of Z. spina-christi L. Desf. (Fruits/leaves). On the other hand, the ethanolic extracts of V. iphionoides Boiss was found to increase oxidative DNA damage. Results of the SCEs are undergoing. In conclusion, plant extracts with antioxidative DNA damage properties might have clinical applications in cancer prevention.Keywords: medicinal plants extract, fractionation, oxidative DNA damage, 8-hydroxydeoxyguanisine, SCEs, Jordan
Procedia PDF Downloads 3076726 Influence of Magnetic Field on the Antibacterial Properties of Pine Oil
Authors: Dawid Sołoducha, Tomasz Borowski, Agata Markowska-Szczupak, Aneta Wesołowska, Marian Kordas, Rafał Rakoczy
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Many studies report varied effects of the magnetic field in medicine, but applications are still missing. Also, essential oils (EOs) were historically used in healing therapies, food preservation and the cosmetic industry due to their wound healing and antioxidant properties and antimicrobial activity. Unfortunately, the chemical characterization of EOs activates its antibacterial action only at a fairly high concentration. They can cause skin reactions, e.g., irritation (irritant contact dermatitis) or allergic contact dermatitis; therefore, they should always be used with caution. However, the administration of EOs to achieve the desired antimicrobial activity and stability with long-term medical usage in low concentration is challenging. The aim of this work was to investigate the antimicrobial activity of commercial Pinus sylvestris L. essential oil from Polish company Avicenna-Oil® under Rotating Magnetic Field (RMF) at f = 1 – 50 Hz. The novel construction of the magnetically assisted self-constructed reactor (MAP) was applied for this study. The chemical composition of essential pine oil was determined by gas chromatography coupled with mass spectrometry (GC-MS). Model bacteria Escherichia coli K12 (ATCC 25922) was used. Different concentrations of pine oil was prepared: 100% 50%, 25%, 12.5% and 6.25%. The disc diffusion and MIC test were done. To examine the effect of essential pine oil and rotating magnetic field RMF on antibacterial performance agar plate method was used. Pine oil consist of α-pinene (28.58%), β-pinene (17.79%), δ-3-carene (14.17%) and limonene (11.58%). The present study indicates the exposition to the RMF, as compared to the unexposed controls causing an increase in the efficacy of antibacterial properties of pine oil. We have shown that the rotating magnetic fields (RMF) at a frequency, f, between 25 Hz to 50 Hz, increase the antimicrobial efficiency of oil at lower than 50% concentration. The new method can be applied in many fields e.g. aromatherapy, medicine as a component of dressing, or as food preservatives.Keywords: rotating magnetic field, pine oil, antimicrobial activity, Escherichia coli
Procedia PDF Downloads 2206725 Charge Transport in Biological Molecules
Authors: E. L. Albuquerque, U. L. Fulco, G. S. Ourique
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The focus of this work is on the numerical investigation of the charge transport properties of the de novo-designed alpha3 polypeptide, as well as in its variants, all of them probed by gene engineering. The theoretical framework makes use of a tight-binding model Hamiltonian, together with ab-initio calculations within quantum chemistry simulation. The alpha3 polypeptide is a 21-residue with three repeats of the seven-residue amino acid sequence Leu-Glu-Thr-Leu-Ala-Lys-Ala, forming an alpha–helical bundle structure. Its variants are obtained by Ala→Gln substitution at the e (5th) and g (7th) position, respectively, of the alpha3 polypeptide amino acid sequence. Using transmission electron microscopy and atomic force microscopy, it was observed that the alpha3 polypeptide and one of its variant do have the ability to form fibrous assemblies, while the other does not. Our main aim is to investigate whether or not the biased alpha3 polypeptide and its variants can be also identified by quantum charge transport measurements through current-voltage (IxV) curves as a pattern to characterize their fibrous assemblies. It was observed that each peptide has a characteristic current pattern, which may be distinguished by charge transport measurements, suggesting that it might be a useful tool for the development of biosensors.Keywords: charge transport properties, electronic transmittance, current-voltage characteristics, biological sensor
Procedia PDF Downloads 6656724 Anti-Oxidant and Anti-Bacterial Properties of Camellia sinensis, Tea Plant
Authors: Rini Jarial, Puranjan Mishra, Lakhveer Singh, Sveta Thakur, A. W. Zularisam, Mimi Sakinah
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The aim of the present study was to assess the biological properties of Camellia sinensis and to identify its functional compounds. The methanolic leaves-extract (MLE) of commercial green tea (Camellia sinensis) was assessed for anti-bacterial activities by measuring inhibition zones against a panel of pathogenic bacterial strains using agar diffusion method. The flavonoid (5.0 to 8.0 mg/ml) and protein content (10 to 15 mg/ml) of the MLE were recorded. MLE at a concentration of 25 μg/ml showed marked anti-bacterial activity against all bacterial strains (11-30 mm zone of inhibition) and was maximum against Staphylococcus aureus (30 mm). The MLE of Camellia sinensis had the best MIC values of 2.25 and 0.56 mg/ml against S. aureus and Enterobacter sp., respectively. The MLE also possessed good anti-lipolytic activity (65%) against a Porcine pancreatic lipase (PPL) and cholesterol oxidase inhibition (79%). The present study provided strong experimental evidences that the MLE of Camellia sinensis is not only a potent source of natural anti-oxidants and anti-bacterial activity but also possesses efficient cholesterol degradation and anti-lipolytic activities that might be beneficial in the body weight management.Keywords: anti-oxidant, anti-bacterial activity, anti-lipolytic activity, Camellia sinensis, phyto-chemicals
Procedia PDF Downloads 2916723 The Evaluation of the Performance of CaCO3/Polymer Nano-Composites for the Preservation of Historic Limestone Monuments
Authors: Mohammed Badereldien, Rezk Diab, Mohamoud Ali, Ayman Aboelkassem
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The stone surfaces of historical architectural heritage in Egypt are under threat from of various environmental factors such as temperature fluctuation, humidity, pollution, and microbes. Due to these factors, the facades of buildings are deteriorating deformation and disfiguration of external decoration and the formation of black accretion also often from the stone works. The aim of this study is to evaluate the effectiveness of CaCO₃ nano-particles as consolidation and protection material for calcareous stone monuments. Selected tests were carried out in order to estimate the superficial consolidating and protective effect of the treatment. When applied the nanoparticles dispersed in the acrylic copolymer; poly ethylmethacrylate (EMA)/methylacrylate (MA) (70/30, respectively) (EMA)/methylacrylate (MA) (70/30, respectively). The synthesis process of CaCO₃ nanoparticles/polymer nano-composite was prepared using in situ emulsion polymerization system. The consolidation and protection were characterized by TEM, while the penetration depth, re-aggregating effects of the deposited phase, and the surface morphology before and after treatment were examined by SEM (Scanning Electron Microscopy). Improvement of the stones' mechanical properties was evaluated by compressive strength tests. Changes in water-interaction properties were evaluated by water absorption capillarity measurements, and colorimetric measurements were used to evaluate the optical appearance. Together the results appear to demonstrate that CaCO₃/polymer nanocomposite is an efficient material for the consolidation of limestone architecture and monuments. As compared with samples treated with pure acrylic copolymer without Calcium carbonate nanoparticles, for example, CaCO₃ nanoparticles are completely compatible, strengthening limestone against thermal aging and improving its mechanical properties.Keywords: calcium carbonate nanoparticles, consolidation, nanocomposites, calcareous stone, colorimetric measurements, compressive strength
Procedia PDF Downloads 1356722 Mechanical and Physical Properties of Aluminum Composite Reinforced with Carbon Nano Tube Dispersion via Ultrasonic and Ball Mill Attrition after Sever Plastic Deformation
Authors: Hassan Zare, Mohammad Jahedi, Mohammad Reza Toroghinejad, Mahmoud Meratian, Marko Knezevic
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In this study, the carbon nanotube (CNT) reinforced Al matrix nanocomposites were fabricated by ECAP. Equal Channel Angular Pressing (ECAP) process is one of the most important methods for powder densification due to the presence of shear strain. This method samples with variety passes (one, two, four and eight passes) in C route were prepared at room temperature. A few study about metal matrix nanocomposite reinforced carbon nanotube done, the reaction intersection of interface and carbon nanotube cause to reduce the efficiency of nanocomposite. In this paper, we checked mechanical and physical properties of aluminum-CNT composite that manufactured by ECAP when the composite is deformed. The non-agglomerated CNTs were distributed homogeneously with 2% consolidation in the Aluminum matrix. The ECAP process was performed on the both monolithic and composite with distributed CNT samples for 8 passes.Keywords: powder metallurgy, ball mill attrition, ultrasonic, consolidation
Procedia PDF Downloads 4956721 Biomechanical Assessment of Esophageal Elongation
Authors: Marta Kozuń, Krystian Toczewski, Sylwester Gerus, Justyna Wolicka, Kamila Boberek, Jarosław Filipiak, Dariusz Patkowski
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Long gap esophageal atresia is a congenital defect and is a challenge for pediatric surgeons all over the world. There are different surgical techniques in use to treat atresia. One of them is esophageal elongation but the optimal suture placement technique to achieve maximum elongation with low-risk complications is still unknown. The aim of the study was to characterize the process of esophageal elongation from the biomechanical point of view. Esophagi of white Pekin Duck was used as a model based on the size of this animal which is similar to a newborn (2.5-4kg). The specimens were divided into two groups: the control group (CG) and the group with sutures (SG). The esophagi of the control group were mounted in the grips of the MTS Tytron 250 testing machine and tensile test until rupture was performed. The loading speed during the test was 10mm/min. Then the SG group was tested. Each esophagus was cut into two equal parts and that were fused together using surgical sutures. The distance between both esophagus parts was 20mm. Ten both ends were mounted on the same testing machine and the tensile test with the same parameters was conducted. For all specimens, force and elongation were recorded. The biomechanical properties, i.e., the maximal force and maximal elongation, were determined on the basis of force-elongation curves. The maximal elongation was determined at the point of maximal force. The force achieved with the suture group was 10.1N±1.9N and 50.3N±11.6N for the control group. The highest elongation was also obtained for the control group: 18mm±3mm vs. 13.5mm ±2.4mm for the suture group. The presented study expands the knowledge of elongation of esophagi. It is worth emphasizing that the duck esophagus differs from the esophagus of a newborn, i.e., its wall lacks striated muscle cells. This is why the parts of animal esophagi used in the research are may characterized by different biomechanical properties in comparison with newborn tissue.Keywords: long gap atresia treatment, esophageal elongation, biomechanical properties, soft tissue
Procedia PDF Downloads 1006720 InP/ZnS Core-Shell and InP/ZnS/ZnS Core-Multishell Quantum Dots for Improved luminescence Efficiency
Authors: Imen Harabi, Hanae Toura, Safa Jemai, Bernabe Mari Soucase
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A promising alternative to traditional Quantum Dots QD materials, which contain toxic heavy elements such as lead and cadmium, sheds light on indium phosphide quantum dots (InP QDs) Owing to improve the quantum yields of photoluminescence and other properties. InP, InP/ZnS core/shell and InP/ZnS/ZnS core/shell/shell Quantum Dots (QDs) were synthetized by the hot injection method. The optical and structural properties of the core InP QDs, InP/ZnS QDs, and InP/ZnS/ZnS QDs have being considered by several techniques such as X-ray diffraction, transmission electron microscopy, optical spectroscopy, and photoluminescence. The average diameter of InP, InP/ZnS, and InP/ZnS/ZnS Quantum Dots (QDs) was varying between 10 nm, 5.4 nm, and 4.10 nm. This experience revealed that the surface morphology of the Quantum Dots has a more regular spherical form with color variation of the QDs in solution. The emission peak of colloidal InP Quantum Dots was around 530 nm, while in InP/ZnS, the emission peak is displayed and located at 598 nm. whilst for InP/ZnS/ZnS is placed at 610 nm. Furthermore, an enhanced PL emission due to a passivation effect in the ZnS-covered InP QDs was obtained. Add the XRD information FWHM of the principal peak of InP QDs was 63 nm, while for InP/ZnS was 41 nm and InP/ZnS/ZnS was 33 nm. The effect of the Zinc stearate precursor concentration on the optical, structural, surface chemical of InP and InP/ZnS and InP/ZnS/ZnS QDs will be discussed.Keywords: indium phosphide, quantum dot, nanoparticle, core-shell, multishell, luminescence
Procedia PDF Downloads 1656719 Potentiodynamic Polarization Behavior of Surface Mechanical Attrition Treated AA7075
Authors: Vaibhav Pandey, K. Chattopadhyay, N. C. Santhi Srinivas, Vakil Singh
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Aluminium alloy 7075 consist of different intermetallic precipitate particles MgZn2, CuAl2, which result in heterogeneity of micro structure and influence the corrosion properties of the alloy. Artificial ageing was found to enhance the strength properties, but highly susceptible to stress-corrosion cracking. Various conventional surface modification techniques are developed for improving corrosion properties of aluminum alloys. This led to development of novel surface mechanical attrition treatment (SMAT) technique the so called ultrasonic shot peening which gives nano-grain structure at surface. In the present investigation the influence of surface mechanical attrition treatment on corrosion behavior of aluminum alloy 7075 was studied in 3.5wt% NaCl solution. Two different size of 1 mm and 3 mm steel balls are used as peening media and SMAT was carried out for different time intervals 5, 15 and 30 minutes. Surface nano-grains/nano-crystallization was observed after SMAT. The formation of nano-grain structure was observed for larger size balls with time of treatment and consequent increase in micro strain. As-SMATed sample with 1 mm balls exhibits better corrosion resistance as compared to that of un-SMATed sample. The enhancement in corrosion resistance may be due to formation of surface nano-grain structure which reduced the electron release rate. In contrast the samples treated with 3 mm balls showed very poor corrosion resistance. A decrease in corrosion resistance was observed with increase in the time of peening. The decrease in corrosion resistance in the shotpeened samples with larger diameter balls may due to increase in microstrain and defect density.Keywords: aluminum alloy 7075, corrosion, SMAT, ultrasonic shot peening, surface nano-grains
Procedia PDF Downloads 4476718 From Dog to Dog: Potential Probiotic and Immunomodulatory Strains Isolated from Canine Milk
Authors: Paula Buldres, Jorge Toledo
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Objectives: This study aimed to characterize potential probiotic strains isolated from canine breast milk for use in dogs with enteropathies. Methodology: Six canine breast milk strains, one canine colostrum strain, and one control porcine breast milk strain were characterized. According to its functional properties of resistance to acids, different concentrations of bile salts, and pancreatin, its presumptive properties of safety and inhibitory effect on pathogens, non-cytotoxic characteristics, and adhesion to the intestine. The immunomodulatory effect of formulations with better probiotic characterization in vitro and in vivo was also analyzed. Results: Two strains characterized as potential probiotics were obtained, which corresponded to the canine strains (TUCO-16 and TUCO-17), presenting resistance to acidic pH, bile salts, and pancreatin, as well as an inhibitory effect on pathogenic Escherichia coli, Salmonella sp., and Clostridium perfringens. Strains TUCO-16 and TUCO-17 induced a significant increase in the expression of TNF-α and IL-8 in canine macrophages, respectively. Expression analyses of pattern recognition receptors in DH82 cells suggest that TUCO-16 and TUCO-17 might increase the TLR2 expression marker, and porcine strain (TUCO-4) increases the NOD2 expression marker. Based on the count obtained and the encapsulation yield, the best formulations correspond to FOS-Inulin for the TUCO-17 and TUCO-4 strains; Maltodextrin-Inulin for TUCO-16. All the strains are non-cytotoxic. The strain that showed the highest adhesion to intestinal epithelial cells was TUCO-17 with the FOS-Inulin formulation. On the other hand, the probiotics decreased the expression of pro-inflammatory markers in vivo, both in the intestine and in the spleen of mice. Conclusion: The combination of these three strains under study (TUCO-16, TUCO-17, and TUCO-4) would cover the probiotic properties in formulation and immunomodulation of all the markers under study.Keywords: probiotics, gastrointestinal infec, dog, probiotic formulation, immunomodulatory probiotics
Procedia PDF Downloads 686717 Synthesis, Characterization, Optical and Photophysical Properties of Pyrene-Labeled Ruthenium(Ii) Trisbipyridine Complex Cored Dendrimers
Authors: Mireille Vonlanthen, Pasquale Porcu, Ernesto Rivera
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Dendritic macromolecules are presenting unique physical and chemical properties. One of them is the faculty of transferring energy from a donor moiety introduced at the periphery to an acceptor moiety at the core, mimicking the antenna effect of the process of photosynthesis. The mechanism of energy transfer is based on the Förster resonance energy exchange and requires some overlap between the emission spectrum of the donor and the absorption spectrum of the acceptor. Since it requires a coupling of transition dipole but no overlap of the physical wavefunctions, the energy transfer by Förster mechanism can occur over quite long distances from 1 to a maximum of 10 nm. However, the efficiency of the transfer depends strongly on distance. The Förster radius is the distance at which 50% of the donor’s emission is deactivated by FRET. In this work, we synthesized and characterized a novel series of dendrimers bearing pyrene moieties at the periphery and a Ru (II) complex at the core. The optical and photophysical properties of these compounds were studied by absorption and fluorescence spectroscopy. Pyrene is a well-studied chromophore that has the particularity to present monomer as well as excimer fluorescence emission. The coordination compounds of Ru (II) are red emitters with low quantum yield and long excited lifetime. We observed an efficient singulet to singulet energy transfer in such constructs. Moreover, it is known that the energy of the MLCT emitting state of Ru (II) can be tuned to become almost isoenegetic with respect to the triplet state of pyrene, leading to an extended phosphorescence lifetime. Using dendrimers bearing pyrene moieties as ligands for Ru (II), we could combine the antenna effect of dendrimers as well as its protection effect to the quenching by dioxygen with lifetime increase due to triplet-triplet equilibrium.Keywords: dendritic molecules, energy transfer, pyrene, ru-trisbipyridine complex
Procedia PDF Downloads 2776716 Development and Characterization of a Bio-Sourced Composite Material Based on Phase Change Material and Hemp Shives
Authors: Hachmi Toifane, Pierre Tittelein, Anh Dung Tran Le, Laurent Zalewsi
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This study introduces a composite material composed of bio-sourced phase-change material (PCM) of plant origin combined with hemp shives, developed in response to environmental challenges in the construction sector. The state of the art emphasizes the low thermal storage capacity of bio-based materials and highlights increasing need for developing sustainable materials that offer optimal thermal, mechanical, and hydric performances. The combining of PCM's thermal properties and hygric properties of hemp shives results in a material that combines lightness, strength, and hygrothermal regulation. Various formulations are being assessed and compared to conventional hemp concrete. Thermal characterization includes the measurements of thermal conductivity and numerical simulations to evaluate the thermal storage capacity. The results indicate that the addition of PCM significantly enhances the material's thermal storage capacity, positioning this one as a promising, eco-friendly solution for sustainable construction and for improving the energy efficiency of buildings.Keywords: hemp composite, bio-sourced phase change material, thermal storage, hemp shives
Procedia PDF Downloads 456715 The Influence of Water and Salt Crystals Content on Thermal Conductivity Coefficient of Red Clay Brick
Authors: Dalia Bednarska, Marcin Koniorczyk
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This paper presents results of experiments aimed at studying hygro-thermal properties of red clay brick. The main objective of research was to investigate the relation between thermal conductivity coefficient of brick and its water or Na2SO4 solution content. The research was conducted using stationary technique for the totally dried specimens, as well as the ones 25%, 50%, 75% and 100% imbued with water or sodium sulfate solution. Additionally, a sorption isotherm test was conducted for seven relative humidity levels. Furthermore the change of red clay brick pore structure before and after imbuing with water and salt solution was investigated by multi-cycle mercury intrusion test. The experimental results confirm negative influence of water or sodium sulphate on thermal properties of material. The value of thermal conductivity coefficient increases along with growth of water or Na₂SO₄ solution content. The study shows that the presence of Na₂SO₄ solution has less negative influence on brick’s thermal conductivity coefficient than water.Keywords: building materials, red clay brick, sodium sulfate, thermal conductivity coefficient
Procedia PDF Downloads 4046714 A Characterization of Skew Cyclic Code with Complementary Dual
Authors: Eusebio Jr. Lina, Ederlina Nocon
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Cyclic codes are a fundamental subclass of linear codes that enjoy a very interesting algebraic structure. The class of skew cyclic codes (or θ-cyclic codes) is a generalization of the notion of cyclic codes. This a very large class of linear codes which can be used to systematically search for codes with good properties. A linear code with complementary dual (LCD code) is a linear code C satisfying C ∩ C^⊥ = {0}. This subclass of linear codes provides an optimum linear coding solution for a two-user binary adder channel and plays an important role in countermeasures to passive and active side-channel analyses on embedded cryptosystems. This paper aims to identify LCD codes from the class of skew cyclic codes. Let F_q be a finite field of order q, and θ be an automorphism of F_q. Some conditions for a skew cyclic code to be LCD were given. To this end, the properties of a noncommutative skew polynomial ring F_q[x, θ] of automorphism type were revisited, and the algebraic structure of skew cyclic code using its skew polynomial representation was examined. Using the result that skew cyclic codes are left ideals of the ring F_q[x, θ]/〈x^n-1〉, a characterization of a skew cyclic LCD code of length n was derived. A necessary condition for a skew cyclic code to be LCD was also given.Keywords: LCD cyclic codes, skew cyclic LCD codes, skew cyclic complementary dual codes, theta-cyclic codes with complementary duals
Procedia PDF Downloads 3456713 Use of Fine Recycled Aggregates in Normal Concrete Production
Authors: Vignesh Pechiappan Ayyathurai, Mukesh Limbachiya, Hsein Kew
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There is a growing interest in using recycled, secondary use and industrial by product materials in high value commercial applications. Potential high volume applications include use of fine aggregate in flowable fill or as a component in manufactured aggregates. However, there is much scientific, as well as applied research needed in this area due to lack to availability of data on the mechanical and environmental properties of elements or products produced using fine recycled aggregates. The principle objectives of this research are to synthesize existing data on the beneficial reuse of fine recycled materials and to develop extensive testing programme for assessing and establishing engineering and long term durability properties of concrete and other construction products produced using such material for use in practical application widely. This paper is a research proposal for PhD admission. The proposed research aims to supply the necessary technical, as well as practical information on fine recycled aggregate concrete to the construction industry for promoting its wider use within the construction industry. Furthermore, to disseminate research outcomes to the local authorities for consideration of use of fine recycled aggregate concrete in various applications.Keywords: FRA, fine aggregate, recycling, concrete
Procedia PDF Downloads 3236712 Fabrication Methodologies for Anti-Microbial Polypropylene Surfaces with Leachable and Non-leachable Anti-Microbial Agents
Authors: Saleh Alkarri, Dimple Sharma, Teresa M. Bergholz, Muhammad Rabnawaz
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Aims: Develop a methodology for the fabrication of anti-microbial polypropylene (PP) surfaces with (i) leachable copper, (II) chloride dihydrate (CuCl₂·₂H₂O) and (ii) non-leachable magnesium hydroxide (Mg(OH)₂) biocides. Methods and Results: Two methodologies are used to develop anti-microbial PP surfaces. One method involves melt-blending and subsequent injection molding, where the biocide additives were compounded with PP and subsequently injection-molded. The other method involves the thermal embossing of anti-microbial agents on the surface of a PP substrate. The obtained biocide-bearing PP surfaces were evaluated against E. coli K-12 MG1655 for 0, 4, and 24 h to evaluate their anti-microbial properties. The injection-molded PP bearing 5% CuCl2·₂H₂O showed a 6-log reduction of E. coli K-12 MG1655 after 24 h, while only 1 log reduction was observed for PP bearing 5% Mg(OH)2. The thermally embossed PP surfaces bearing CuCl2·2H2O and Mg(OH)₂ particles (at a concentration of 10 mg/mL) showed 3 log and 4 log reduction, respectively, against E.coli K-12 MG1655 after 24 h. Conclusion: The results clearly demonstrate that CuCl₂·2H₂O conferred anti-microbial properties to PP surfaces that were prepared by both injection molding as well as thermal embossing approaches owing to the presence of leachable copper ions. In contrast, the non-leachable Mg(OH)₂ imparted anti-microbial properties only to the surface prepared via the thermal embossing technique. Significance and Impact of The Study: Plastics with leachable biocides are effective anti-microbial surfaces, but their toxicity is a major concern. This study provides a fabrication methodology for non-leachable PP-based anti-microbial surfaces that are potentially safer. In addition, this strategy can be extended to many other plastics substrates.Keywords: anti-microbial activity, E. coli K-12 MG1655, copper (II) chloride dihydrate, magnesium hydroxide, leachable, non-leachable, compounding, thermal embossing
Procedia PDF Downloads 786711 Fabrication Methodologies for Anti-microbial Polypropylene Surfaces with Leachable and Non-leachable Anti-microbial Agents
Authors: Saleh Alkarri, Dimple Sharma, Teresa M. Bergholz, Muhammad Rabnawa
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Aims: Develop a methodology for the fabrication of anti-microbial polypropylene (PP) surfaces with (i) leachable copper (II) chloride dihydrate (CuCl2·2H2O) and (ii) non-leachable magnesium hydroxide (Mg(OH)2) biocides. Methods and Results: Two methodologies are used to develop anti-microbial PP surfaces. One method involves melt-blending and subsequent injection molding, where the biocide additives were compounded with PP and subsequently injection-molded. The other method involves the thermal embossing of anti-microbial agents on the surface of a PP substrate. The obtained biocide-bearing PP surfaces were evaluated against E. coli K-12 MG1655 for 0, 4, and 24 h to evaluate their anti-microbial properties. The injection-molded PP bearing 5% CuCl2·2H2O showed a 6-log reduction of E. coli K-12 MG1655 after 24 h, while only 1 log reduction was observed for PP bearing 5% Mg(OH)2. The thermally embossed PP surfaces bearing CuCl2·2H2O and Mg(OH)2 particles (at a concentration of 10 mg/mL) showed 3 log and 4 log reduction, respectively, against E.coli K-12 MG1655 after 24 h. Conclusion: The results clearly demonstrate that CuCl2·2H2O conferred anti-microbial properties to PP surfaces that were prepared by both injection molding as well as thermal embossing approaches owing to the presence of leachable copper ions. In contrast, the non-leachable Mg(OH)2 imparted anti-microbial properties only to the surface prepared via the thermal embossing technique. Significance and Impact of The Study: Plastics with leachable biocides are effective anti-microbial surfaces, but their toxicity is a major concern. This study provides a fabrication methodology for non-leachable PP-based anti-microbial surfaces that are potentially safer. In addition, this strategy can be extended to many other plastics substrates.Keywords: anti-microbial activity, E. coli K-12 MG1655, copper (II) chloride dihydrate, magnesium hydroxide, leachable, non-leachable, compounding, thermal embossing
Procedia PDF Downloads 836710 Mechanical and Physical Properties of Wood Composite Panel from Recycled Plastic and Sawdust of Cordia alliodora (Ruiz and Pav.)
Authors: Ahmed Bolaji Alarape, Oluwatobi Damilola Aba, Usman Shehu
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Wood plastic composite boards were made from sawn dust of Cordia alliodora and recycled polyethylene at a mixing ratio of 1.5ratio1, 2.5ratio1 and 3.5ratio1 and nominal densities of 600 kilograms per meter cube, 700 kilograms per meter cube, and 800 kilograms per meter cube, The material was hot pressed at 150-degree celsius to produce board of 250 millimeter by 250 millimeter by 6 millimeter of which 18 boards were produced. The experiment was subject to 3 by 3 factorial experiments in Completely Randomised Design (CRD). Analysis of variance and Duncan Multiple Range Test (DMRT) was adopted by 3 by 3 at 5 percent probability. The strength properties of the boards such as modulus of rupture (MOR) and modulus of elasticity (MOE) were investigated, while the dimensional properties of the board such as the water absorption (WA) and thickness swelling (TS) were as well determined after 12hrs and 24hrs of water immersion. The result showed that the mean values of MOE ranged from 9100.73 Newtons per square millimeters to 12086.96 Newtons per square millimeters while MOR values ranged from 48.26 Newtons per square millimeters to 103.09 Newtons per square millimeters. The values of WA and TS after 12hrs immersion ranged from 1.21 percent to 1.56 percent and 0.00 percent to 0.13 percent, respectively. The values of WA and TS after 24hrs of water immersion ranged from 1.66 percent to 2.99 percent and 0.02 percent to 0.18 percent, respectively. The higher the value of board density and the high-density polythene /sawdust ratio, the stronger, the stiffer and more dimensionally stable the wood plastic composite boards obtained. In addition, as the density of the board increases, the strength property of the boards increases. Hence the board will be suitable for internal construction materials.Keywords: wood Plastic composite, modulus of rupture, modulus of elasticity, dimensional stability
Procedia PDF Downloads 1786709 Investigation of Physical Properties of Asphalt Binder Modified by Recycled Polyethylene and Ground Tire Rubber
Authors: Sajjad H. Kasanagh, Perviz Ahmedzade, Alexander Fainleib, Taylan Gunay
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Modification of asphalt is a fundamental method around the world mainly on the purpose of providing more durable pavements which lead to diminish repairing cost during the lifetime of highways. Various polymers such as styrene-butadiene-styrene (SBS) and ethylene vinyl acetate (EVA) make up the greater parts of the all-over asphalt modifiers generally providing better physical properties of asphalt by decreasing temperature dependency which eventually diminishes permanent deformation on highways such as rutting. However, some waste and low-cost materials such as recycled plastics and ground rubber tire have been attempted to utilize in asphalt as modifier instead of manufactured polymer modifiers due to decreasing the eventual highway cost. On the other hand, the usage of recycled plastics has become a worldwide requirement and awareness in order to decrease the pollution made by waste plastics. Hence, finding an area in which recycling plastics could be utilized has been targeted by many research teams so as to reduce polymer manufacturing and plastic pollution. To this end, in this paper, thermoplastic dynamic vulcanizate (TDV) obtained from recycled post-consumer polyethylene and ground tire rubber (GTR) were used to provide an efficient modifier for asphalt which decreases the production cost as well and finally might provide an ecological solution by decreasing polymer disposal problems. TDV was synthesized by the chemists in the research group by means of the abovementioned components that are considered as compatible physical characteristic of asphalt materials. TDV modified asphalt samples having different rate of proportions of 3, 4, 5, 6, 7 wt.% TDV modifier were prepared. Conventional tests, such as penetration, softening point and roll thin film oven (RTFO) tests were performed to obtain fundamental physical and aging properties of the base and modified binders. The high temperature performance grade (PG) of binders was determined by Superpave tests conducted on original and aged binders. The multiple stress creep and recovery (MSCR) test which is relatively up-to-date method for classifying asphalts taking account of their elasticity abilities was carried out to evaluate PG plus grades of binders. The results obtained from performance grading, and MSCR tests were also evaluated together so as to make a comparison between the methods both aiming to determine rheological parameters of asphalt. The test results revealed that TDV modification leads to a decrease in penetration, an increase in softening point, which proves an increasing stiffness of asphalt. DSR results indicate an improvement in PG for modified binders compared to base asphalt. On the other hand, MSCR results that are compatible with DSR results also indicate an enhancement on rheological properties of asphalt. However, according to the results, the improvement is not as distinct as observed in DSR results since elastic properties are fundamental in MSCR. At the end of the testing program, it can be concluded that TDV can be used as modifier which provides better rheological properties for asphalt and might diminish plastic waste pollution since the material is 100% recycled.Keywords: asphalt, ground tire rubber, recycled polymer, thermoplastic dynamic vulcanizate
Procedia PDF Downloads 2206708 Status of Bio-Graphene Extraction from Biomass: A Review
Authors: Simon Peter Wafula, Ziporah Nakabazzi Kitooke
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Graphene is a carbon allotrope made of a two-dimensional shape. This material has got a number of materials researchers’ interest due to its properties that are special compared to ordinary material. Graphene is thought to enhance a number of material properties in the manufacturing, energy, and construction industries. Many studies consider graphene to be a wonder material, just like plastic in the 21st century. This shows how much should be invested in graphene research. This review highlights the status of graphene extracted from various biomass sources together with their appropriate extraction techniques, including the pretreatment methods for a better product. The functional groups and structure of graphene extracted using several common methods of synthesis are in this paper as well. The review explores methods like chemical vapor deposition (CVD), hydrothermal, chemical exfoliation method, liquid exfoliation, and Hummers. Comparative analysis of the various extraction techniques gives an insight into each of their advantages, challenges, and potential scalability. The review also highlights the pretreatment process for biomass before carbonation for better quality of bio-graphene. The various graphene modes, as well as their applications, are in this study. Recommendations for future research for improving the efficiency and sustainability of bio-graphene are highlighted.Keywords: exfoliation, nanomaterials, biochar, large-scale, two-dimension
Procedia PDF Downloads 486707 Comparison of Electrical Parameters of Oil-Immersed and Dry-Type Transformer Using Finite Element Method
Authors: U. Amin, A. Talib, S. A. Qureshi, M. J. Hossain, G. Ahmad
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The choice evaluation between oil-immersed and dry-type transformers is often controlled by cost, location, and application. This paper compares the electrical performance of liquid- filled and dry-type transformers, which will assist the customer to choose the right and efficient ones for particular applications. An accurate assessment of the time-average flux density, electric field intensity and voltage distribution in an oil-insulated and a dry-type transformer have been computed and investigated. The detailed transformer modeling and analysis has been carried out to determine electrical parameter distributions. The models of oil-immersed and dry-type transformers are developed and solved by using the finite element method (FEM) to compare the electrical parameters. The effects of non-uniform and non-coherent voltage gradient, flux density and electric field distribution on the power losses and insulation properties of transformers are studied in detail. The results show that, for the same voltage and kilo-volt-ampere (kVA) rating, oil-immersed transformers have better insulation properties and less hysteresis losses than the dry-type.Keywords: finite element method, flux density, transformer, voltage gradient
Procedia PDF Downloads 2926706 Effects of Thermal Properties of Aggregate Materials on Energy Consumption and Ghg Emissions of Transportation Infrastructure Assets Construction: Case Study for Japan
Authors: Ali Jamshidi, Kiyofumi Kurumisawa, Toyoharu Nawa
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Transportation infrastructure assets can be considered as backbone of transportation system. They are routinely developed and or maintained which can be used effectively for movement of passengers, commodities and providing vital services. However, the infrastructure assets construction, maintenance and rehabilitation significantly depend on non-renewable natural resources, such as carbon-based energy carriers and aggregate materials. In this study, effects of thermal properties of aggregate materials were characterized for production of hot-mix asphalt in Japan, as a case study. The results indicated that incorporation of the aggregate with lower required heat energy significantly reduces fuel consumption greenhouse gas emission, irrespective of physical property of aggregate. The results also clearly showed that as 75% high-energy limestone is replaced with low-energy limestone in producing an asphalt mixture at 180 °C, 97,879 Japanese households would be energized per annum using the saved energy without any modification in the current asphalt mixing plants.Keywords: zero energy infrastructure, sustainable development, greenhouse gas emission, asphalt pavement
Procedia PDF Downloads 2436705 Water Absorption Studies on Natural Fiber Reinforced Polymer Composites
Authors: G. L. Devnani, Shishir Sinha
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In the recent years, researchers have drawn their focus on natural fibers reinforced composite materials because of their excellent properties like low cost, lower weight, better tensile and flexural strengths, biodegradability etc. There is little concern however that when these materials are put in moist conditions for long duration, their mechanical properties degrade. Therefore, in order to take maximum advantage of these novel materials, one should have a complete understanding of their moisture or water absorption phenomena. Various fiber surface treatment methods like alkaline treatment, acetylation etc. have also been suggested for reduction in water absorption of these composites. In the present study, a detailed review is done for water absorption behavior of natural fiber reinforced polymer composites, and experiments also have been performed on these composites with varying the parameters like fiber loading etc. for understanding the water absorption kinetics. Various surface treatment methods also performed to reduce the water absorption behavior of these materials and effort is made to develop a proper understanding of water absorption mechanism mathematically and experimentally for full potential utilization of natural fiber reinforced polymer composite materials.Keywords: alkaline treatment, composites, natural fiber, water absorption
Procedia PDF Downloads 2876704 Mixed Tetravalent Cs₂RuₘPt₁-ₘX₆ (X = Cl-, Br-) Based Vacancy-Ordered Halide Double Perovskites for Enhanced Solar Water Oxidation
Authors: Jigar Shaileshumar Halpati, Aravind Kumar Chandiran
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Vacancy ordered double perovskites (VOPs) have been significantly attracting researchers due to their chemical structure diversity and interesting optoelectronic properties. Some VOPs have been recently reported to be suitable photoelectrodes for photoelectrochemical water-splitting reactions due to their high stability and panchromatic absorption. In this work, we systematically synthesized mixed tetravalent VOPs based on Cs₂RuₘPt₁-ₘX₆ (X = Cl-, Br-) and reported their structural, optical, electrochemical and photoelectrochemical properties. The structural characterization confirms that the mixed tetravalent site intermediates formed their own phases. The parent materials, as well as their intermediates, were found to be stable in ambient conditions for over 1 year and also showed incredible stability in harsh pH media ranging from pH 1 to pH 11. Moreover, these materials showed panchromatic absorption with onset up to 1000 nm depending upon the mixture stoichiometry. The extraordinary stability and excellent absorption properties make them suitable materials for photoelectrochemical water-splitting applications. PEC studies of these series of materials showed a high water oxidation photocurrent of 0.56 mA cm-² for Cs₂Ru₀.₅Pt₀.₅Cl₆. Fundamental investigation from photoelectrochemical reactions revealed that the intrinsic ruthenium-based VOP showed enhanced hole transfer to the electrolyte, while the intrinsic platinum-based VOP showed higher photovoltage. The mix of these end members at the tetravalent site showed a synergic effect of reduced charge transfer resistance from the material to the electrolyte and increased photovoltage, which led to increased PEC performance of the intermediate materials.Keywords: solar water splitting, photo electrochemistry, photo absorbers, material characterization, device characterization, green hydrogen
Procedia PDF Downloads 756703 Optimization of Mechanical Properties of Alginate Hydrogel for 3D Bio-Printing Self-Standing Scaffold Architecture for Tissue Engineering Applications
Authors: Ibtisam A. Abbas Al-Darkazly
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In this study, the mechanical properties of alginate hydrogel material for self-standing 3D scaffold architecture with proper shape fidelity are investigated. In-lab built 3D bio-printer extrusion-based technology is utilized to fabricate 3D alginate scaffold constructs. The pressure, needle speed and stage speed are varied using a computer-controlled system. The experimental result indicates that the concentration of alginate solution, calcium chloride (CaCl2) cross-linking concentration and cross-linking ratios lead to the formation of alginate hydrogel with various gelation states. Besides, the gelling conditions, such as cross-linking reaction time and temperature also have a significant effect on the mechanical properties of alginate hydrogel. Various experimental tests such as the material gelation, the material spreading and the printability test for filament collapse as well as the swelling test were conducted to evaluate the fabricated 3D scaffold constructs. The result indicates that the fabricated 3D scaffold from composition of 3.5% wt alginate solution, that is prepared in DI water and 1% wt CaCl2 solution with cross-linking ratios of 7:3 show good printability and sustain good shape fidelity for more than 20 days, compared to alginate hydrogel that is prepared in a phosphate buffered saline (PBS). The fabricated self-standing 3D scaffold constructs measured 30 mm × 30 mm and consisted of 4 layers (n = 4) show good pore geometry and clear grid structure after printing. In addition, the percentage change of swelling degree exhibits high swelling capability with respect to time. The swelling test shows that the geometry of 3D alginate-scaffold construct and of the macro-pore are rarely changed, which indicates the capability of holding the shape fidelity during the incubation period. This study demonstrated that the mechanical and physical properties of alginate hydrogel could be tuned for a 3D bio-printing extrusion-based system to fabricate self-standing 3D scaffold soft structures. This 3D bioengineered scaffold provides a natural microenvironment present in the extracellular matrix of the tissue, which could be seeded with the biological cells to generate the desired 3D live tissue model for in vitro and in vivo tissue engineering applications.Keywords: biomaterial, calcium chloride, 3D bio-printing, extrusion, scaffold, sodium alginate, tissue engineering
Procedia PDF Downloads 1116702 A Biophysical Study of the Dynamic Properties of Glucagon Granules in α Cells by Imaging-Derived Mean Square Displacement and Single Particle Tracking Approaches
Authors: Samuele Ghignoli, Valentina de Lorenzi, Gianmarco Ferri, Stefano Luin, Francesco Cardarelli
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Insulin and glucagon are the two essential hormones for maintaining proper blood glucose homeostasis, which is disrupted in Diabetes. A constantly growing research interest has been focused on the study of the subcellular structures involved in hormone secretion, namely insulin- and glucagon-containing granules, and on the mechanisms regulating their behaviour. Yet, while several successful attempts were reported describing the dynamic properties of insulin granules, little is known about their counterparts in α cells, the glucagon-containing granules. To fill this gap, we used αTC1 clone 9 cells as a model of α cells and ZIGIR as a fluorescent Zinc chelator for granule labelling. We started by using spatiotemporal fluorescence correlation spectroscopy in the form of imaging-derived mean square displacement (iMSD) analysis. This afforded quantitative information on the average dynamical and structural properties of glucagon granules having insulin granules as a benchmark. Interestingly, the iMSD sensitivity to average granule size allowed us to confirm that glucagon granules are smaller than insulin ones (~1.4 folds, further validated by STORM imaging). To investigate possible heterogeneities in granule dynamic properties, we moved from correlation spectroscopy to single particle tracking (SPT). We developed a MATLAB script to localize and track single granules with high spatial resolution. This enabled us to classify the glucagon granules, based on their dynamic properties, as ‘blocked’ (i.e., trajectories corresponding to immobile granules), ‘confined/diffusive’ (i.e., trajectories corresponding to slowly moving granules in a defined region of the cell), or ‘drifted’ (i.e., trajectories corresponding to fast-moving granules). In cell-culturing control conditions, results show this average distribution: 32.9 ± 9.3% blocked, 59.6 ± 9.3% conf/diff, and 7.4 ± 3.2% drifted. This benchmarking provided us with a foundation for investigating selected experimental conditions of interest, such as the glucagon-granule relationship with the cytoskeleton. For instance, if Nocodazole (10 μM) is used for microtubule depolymerization, the percentage of drifted motion collapses to 3.5 ± 1.7% while immobile granules increase to 56.0 ± 10.7% (remaining 40.4 ± 10.2% of conf/diff). This result confirms the clear link between glucagon-granule motion and cytoskeleton structures, a first step towards understanding the intracellular behaviour of this subcellular compartment. The information collected might now serve to support future investigations on glucagon granules in physiology and disease. Acknowledgment: This work has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 866127, project CAPTUR3D).Keywords: glucagon granules, single particle tracking, correlation spectroscopy, ZIGIR
Procedia PDF Downloads 1086701 Synthesis and Characterisation of Different Blends of Virgin Polyethylene Modified by Naturel Fibres Alfa
Authors: Benalia Kouini
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The basic idea of this study is to promote a polyethylene recycle and local vegetable fiber (alfa) in the development and characterization of a new composite material. In this work, different sizes of fiber alfa (<63 microns, between 63 and 125 microns, 125 and 250 microns) were incorporated into the blends (HDPE / recycled HDPE) with different methods elaboration (extruder twin-screw and twin-cylinder mixer). The fiber was modified by sodium hydroxide in order to evaluate the effect of alkaline treatment on the interfacial adhesion and therefore the properties of composites prepared. These were characterized by various techniques: mechanical (tensile and Charpy impact test), Rheological (melt flow), morphological (SEM). The demonstration of the effect of alkali treatment on alfa fiber was examined by FTIR spectroscopy and morphological analysis. The introduction of alfa treated fiber in the (HDPE/recycled HDPE) increased stress, impact strength and Young's modulus on the contrary, the elongation at break decreased. The results of the mechanical properties showed an improvement is better in extrusion twin-screw mixer than two cylinders.Keywords: naturel fiber, alfa, recycling, blends, polyethylene
Procedia PDF Downloads 1396700 Benefits of High Power Impulse Magnetron Sputtering (HiPIMS) Method for Preparation of Transparent Indium Gallium Zinc Oxide (IGZO) Thin Films
Authors: Pavel Baroch, Jiri Rezek, Michal Prochazka, Tomas Kozak, Jiri Houska
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Transparent semiconducting amorphous IGZO films have attracted great attention due to their excellent electrical properties and possible utilization in thin film transistors or in photovoltaic applications as they show 20-50 times higher mobility than that of amorphous silicon. It is also known that the properties of IGZO films are highly sensitive to process parameters, especially to oxygen partial pressure. In this study we have focused on the comparison of properties of transparent semiconducting amorphous indium gallium zinc oxide (IGZO) thin films prepared by conventional sputtering methods and those prepared by high power impulse magnetron sputtering (HiPIMS) method. Furthermore we tried to optimize electrical and optical properties of the IGZO thin films and to investigate possibility to apply these coatings on thermally sensitive flexible substrates. We employed dc, pulsed dc, mid frequency sine wave and HiPIMS power supplies for magnetron deposition. Magnetrons were equipped with sintered ceramic InGaZnO targets. As oxygen vacancies are considered to be the main source of the carriers in IGZO films, it is expected that with the increase of oxygen partial pressure number of oxygen vacancies decreases which results in the increase of film resistivity. Therefore in all experiments we focused on the effect of oxygen partial pressure, discharge power and pulsed power mode on the electrical, optical and mechanical properties of IGZO thin films and also on the thermal load deposited to the substrate. As expected, we have observed a very fast transition between low- and high-resistivity films depending on oxygen partial pressure when deposition using conventional sputtering methods/power supplies have been utilized. Therefore we established and utilized HiPIMS sputtering system for enlargement of operation window for better control of IGZO thin film properties. It is shown that with this system we are able to effectively eliminate steep transition between low and high resistivity films exhibited by DC mode of sputtering and the electrical resistivity can be effectively controlled in the wide resistivity range of 10-² to 10⁵ Ω.cm. The highest mobility of charge carriers (up to 50 cm2/V.s) was obtained at very low oxygen partial pressures. Utilization of HiPIMS also led to significant decrease in thermal load deposited to the substrate which is beneficial for deposition on the thermally sensitive and flexible polymer substrates. Deposition rate as a function of discharge power and oxygen partial pressure was also systematically investigated and the results from optical, electrical and structure analysis will be discussed in detail. Most important result which we have obtained demonstrates almost linear control of IGZO thin films resistivity with increasing of oxygen partial pressure utilizing HiPIMS mode of sputtering and highly transparent films with low resistivity were prepared already at low pO2. It was also found that utilization of HiPIMS technique resulted in significant improvement of surface smoothness in reactive mode of sputtering (with increasing of oxygen partial pressure).Keywords: charge carrier mobility, HiPIMS, IGZO, resistivity
Procedia PDF Downloads 2976699 Theoretical Study of Substitutional Phosphorus and Nitrogen Pairs in Diamond
Authors: Tahani Amutairi, Paul May, Neil Allan
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Many properties of semiconductor materials (mechanical, electronic, magnetic, and optical) can be significantly modified by introducing a point defect. Diamond offers extraordinary properties as a semiconductor, and doping seems to be a viable method of solving the problem associated with the fabrication of diamond-based electronic devices in order to exploit those properties. The dopants are believed to play a significant role in reducing the energy barrier to conduction and controlling the mobility of the carriers and the resistivity of the film. Although it has been proven that the n-type diamond semiconductor can be obtained with phosphorus doping, the resulting ionisation energy and mobility are still inadequate for practical application. Theoretical studies have revealed that this is partly because the effects of the many phosphorus atoms incorporated in the diamond lattice are compensated by acceptor states. Using spin-polarised hybrid density functional theory and a supercell approach, we explored the effects of bonding one N atom to a P in adjacent substitutional sites in diamond. A range of hybrid functional, including HSE06, B3LYP, PBE0, PBEsol0, and PBE0-13, were used to calculate the formation, binding, and ionisation energies, in order to explore the solubility and stability of the point defect. The equilibrium geometry and the magnetic and electronic structures were analysed and presented in detail. The defect introduces a unique reconstruction in a diamond where one of the C atoms coordinated with the N atom involved in the elongated C-N bond and creates a new bond with the P atom. The simulated infrared spectra of phosphorus-nitrogen defects were investigated with different supercell sizes and found to contain two sharp peaks at the edges of the spectrum, one at a high frequency 1,379 cm⁻¹ and the second appearing at the end range, 234 cm⁻¹, as obtained with the largest supercell (216).Keywords: DFT, HSE06, B3LYP, PBE0, PBEsol0, PBE0-13
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