Search results for: cross-linking density
3460 First Principle Calculations of the Structural and Optoelectronic Properties of Cubic Perovskite CsSrF3
Authors: Meriem Harmel, Houari Khachai
Abstract:
We have investigated the structural, electronic and optical properties of a compound perovskite CsSrF3 using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). In this approach, both the local density approximation (LDA) and the generalized gradient approximation (GGA) were used for exchange-correlation potential calculation. The ground state properties such as lattice parameter, bulk modulus and its pressure derivative were calculated and the results are compared whit experimental and theoretical data. Electronic and bonding properties are discussed from the calculations of band structure, density of states and electron charge density, where the fundamental energy gap is direct under ambient conditions. The contribution of the different bands was analyzed from the total and partial density of states curves. The optical properties (namely: the real and the imaginary parts of the dielectric function ε(ω), the refractive index n(ω) and the extinction coefficient k(ω)) were calculated for radiation up to 35.0 eV. This is the first quantitative theoretical prediction of the optical properties for the investigated compound and still awaits experimental confirmations.Keywords: DFT, fluoroperovskite, electronic structure, optical properties
Procedia PDF Downloads 4773459 A Comparative Study on Optimized Bias Current Density Performance of Cubic ZnB-GaN with Hexagonal 4H-SiC Based Impatts
Authors: Arnab Majumdar, Srimani Sen
Abstract:
In this paper, a vivid simulated study has been made on 35 GHz Ka-band window frequency in order to judge and compare the DC and high frequency properties of cubic ZnB-GaN with the existing hexagonal 4H-SiC. A flat profile p+pnn+ DDR structure of impatt is chosen and is optimized at a particular bias current density with respect to efficiency and output power taking into consideration the effect of mobile space charge also. The simulated results obtained reveals the strong potentiality of impatts based on both cubic ZnB-GaN and hexagonal 4H-SiC. The DC-to-millimeter wave conversion efficiency for cubic ZnB-GaN impatt obtained is 50% with an estimated output power of 2.83 W at an optimized bias current density of 2.5×108 A/m2. The conversion efficiency and estimated output power in case of hexagonal 4H-SiC impatt obtained is 22.34% and 40 W respectively at an optimum bias current density of 0.06×108 A/m2.Keywords: cubic ZnB-GaN, hexagonal 4H-SiC, double drift impatt diode, millimetre wave, optimised bias current density, wide band gap semiconductor
Procedia PDF Downloads 3593458 Density functional (DFT), Study of the Structural and Phase Transition of ThC and ThN: LDA vs GGA Computational
Authors: Hamza Rekab Djabri, Salah Daoud
Abstract:
The present paper deals with the computational of structural and electronic properties of ThC and ThN compounds using density functional theory within generalized-gradient (GGA) apraximation and local density approximation (LDA). We employ the full potential linear muffin-tin orbitals (FP-LMTO) as implemented in the Lmtart code. We have used to examine structure parameter in eight different structures such as in NaCl (B1), CsCl (B2), ZB (B3), NiAs (B8), PbO (B10), Wurtzite (B4) , HCP (A3) βSn (A5) structures . The equilibrium lattice parameter, bulk modulus, and its pressure derivative were presented for all calculated phases. The calculated ground state properties are in good agreement with available experimental and theoretical results.Keywords: DFT, GGA, LDA, properties structurales, ThC, ThN
Procedia PDF Downloads 983457 Geothermal Prospect Prediction at Mt. Ciremai Using Fault and Fracture Density Method
Authors: Rifqi Alfadhillah Sentosa, Hasbi Fikru Syabi, Stephen
Abstract:
West Java is a province in Indonesia which has a number of volcanoes. One of those volcanoes is Mt. Ciremai, located administratively at Kuningan and Majalengka District, and is known for its significant geothermal potential in Java Island. This research aims to assume geothermal prospects at Mt. Ciremai using Fault and Fracture Density (FFD) Method, which is correlated to the geochemistry of geothermal manifestations around the mountain. This FFD method is using SRTM data to draw lineaments, which are assumed associated with fractures and faults in the research area. These faults and fractures were assumed as the paths for reservoir fluids to reached surface as geothermal manifestations. The goal of this method is to analyze the density of those lineaments found in the research area. Based on this FFD Method, it is known that area with high density of lineaments located on Mt. Kromong at the northern side of Mt. Ciremai. This prospect area is proven by its higher geothermometer values compared to geothermometer values calculated at the south area of Mt. Ciremai.Keywords: geothermal prospect, fault and fracture density, Mt. Ciremai, surface manifestation
Procedia PDF Downloads 3683456 Historical Landscape Affects Present Tree Density in Paddy Field
Authors: Ha T. Pham, Shuichi Miyagawa
Abstract:
Ongoing landscape transformation is one of the major causes behind disappearance of traditional landscapes, and lead to species and resource loss. Tree in paddy fields in the northeast of Thailand is one of those traditional landscapes. Using three different historical time layers, we acknowledged the severe deforestation and rapid urbanization happened in the region. Despite the general thinking of decline in tree density as consequences, the heterogeneous trend of changes in total tree density in three studied landscapes denied the hypothesis that number of trees in paddy field depend on the length of land use practice. On the other hand, due to selection of planting new trees on levees, existence of trees in paddy field are now rely on their values for human use. Besides, changes in land use and landscape structure had a significant impact on decision of which tree density level is considered as suitable for the landscape.Keywords: aerial photographs, land use change, traditional landscape, tree in paddy fields
Procedia PDF Downloads 4193455 Density Determination by Dilution for Extra Heavy Oil Residues Obtained Using Molecular Distillation and Supercritical Fluid Extraction as Upgrading and Refining Process
Authors: Oscar Corredor, Alexander Guzman, Adan Leon
Abstract:
Density is a bulk physical property that indicates the quality of a petroleum fraction. It is also a useful property to estimate various physicochemical properties of fraction and petroleum fluids; however, the determination of density of extra heavy residual (EHR) fractions by standard methodologies, (ASTM D70) shows limitations for samples with higher densities than 1.0879 g/cm3. For this reason, a dilution methodology was developed in order to determinate density for those particular fractions, 87 (EHR) fractions were obtained as products of the fractionation of Colombian typical Vacuum Distillation Residual Fractions using molecular distillation (MD) and extraction with Solvent N-hexane in Supercritical Conditions (SFEF) pilot plants. The proposed methodology showed reliable results that can be demonstrated with the standard deviation of repeatability and reproducibility values of 0.0031 and 0.0061 g/ml respectively. In the same way, it was possible to determine densities in fractions EHR up to 1.1647g/cm3 and °API values obtained were ten times less than the water reference value.Keywords: API, density, vacuum residual, molecular distillation, supercritical fluid extraction
Procedia PDF Downloads 2673454 The Effect of Hydrogen on the Magnetic Properties of ZnO: A Density Functional Tight Binding Study
Authors: M. A. Lahmer, K. Guergouri
Abstract:
The ferromagnetic properties of carbon-doped ZnO (ZnO:CO) and hydrogenated carbon-doped ZnO (ZnO:CO+H) are investigated using the density functional tight binding (DFTB) method. Our results reveal that CO-doped ZnO is a ferromagnetic material with a magnetic moment of 1.3 μB per carbon atom. The presence of hydrogen in the material in the form of CO-H complex decreases the total magnetism of the material without suppressing ferromagnetism. However, the system in this case becomes quickly antiferromagnetic when the C-C separation distance was increased.Keywords: ZnO, carbon, hydrogen, ferromagnetism, density functional tight binding
Procedia PDF Downloads 2853453 Exploring the Intrinsic Ecology and Suitable Density of Historic Districts Through a Comparative Analysis of Ancient and Modern Ecological Smart Practices
Authors: Hu Changjuan, Gong Cong, Long Hao
Abstract:
Although urban ecological policies and the public's aspiration for livable environments have expedited the pace of ecological revitalization, historic districts that have evolved through natural ecological processes often become obsolete and less habitable amid rapid urbanization. This raises a critical question about historic districts inherently incapable of being ecological and livable. The thriving concept of ‘intrinsic ecology,’ characterized by its ability to transform city-district systems into healthy ecosystems with diverse environments, stable functions, and rapid restoration capabilities, holds potential for guiding the integration of ancient and modern ecological wisdom while supporting the dynamic involvement of cultures. This study explores the intrinsic ecology of historic districts from three aspects: 1) Population Density: By comparing the population density before urban population expansion to the present day, determine the reasonable population density for historic districts. 2) Building Density: Using the ‘Space-mate’ tool for comparative analysis, form a spatial matrix to explore the intrinsic ecology of building density in Chinese historic districts. 3) Green Capacity Ratio: By using ecological districts as control samples, conduct dual comparative analyses (related comparison and upgraded comparison) to determine the intrinsic ecological advantages of the two-dimensional and three-dimensional green volume in historic districts. The study inform a density optimization strategy that supports cultural, social, natural, and economic ecology, contributing to the creation of eco-historic districts.Keywords: eco-historic districts, intrinsic ecology, suitable density, green capacity ratio.
Procedia PDF Downloads 233452 A Semiparametric Approach to Estimate the Mode of Continuous Multivariate Data
Authors: Tiee-Jian Wu, Chih-Yuan Hsu
Abstract:
Mode estimation is an important task, because it has applications to data from a wide variety of sources. We propose a semi-parametric approach to estimate the mode of an unknown continuous multivariate density function. Our approach is based on a weighted average of a parametric density estimate using the Box-Cox transform and a non-parametric kernel density estimate. Our semi-parametric mode estimate improves both the parametric- and non-parametric- mode estimates. Specifically, our mode estimate solves the non-consistency problem of parametric mode estimates (at large sample sizes) and reduces the variability of non-parametric mode estimates (at small sample sizes). The performance of our method at practical sample sizes is demonstrated by simulation examples and two real examples from the fields of climatology and image recognition.Keywords: Box-Cox transform, density estimation, mode seeking, semiparametric method
Procedia PDF Downloads 2853451 Use of Sentiel-2 Data to Monitor Plant Density and Establishment Rate of Winter Wheat Fields
Authors: Bing-Bing E. Goh
Abstract:
Plant counting is a labour intensive and time-consuming task for the farmers. However, it is an important indicator for farmers to make decisions on subsequent field management. This study is to evaluate the potential of Sentinel-2 images using statistical analysis to retrieve information on plant density for monitoring, especially during critical period at the beginning of March. The model was calibrated with in-situ data from 19 winter wheat fields in Republic of Ireland during the crop growing season in 2019-2020. The model for plant density resulted in R2 = 0.77, RMSECV = 103 and NRMSE = 14%. This study has shown the potential of using Sentinel-2 to estimate plant density and quantify plant establishment to effectively monitor crop progress and to ensure proper field management.Keywords: winter wheat, remote sensing, crop monitoring, multivariate analysis
Procedia PDF Downloads 1613450 Tuning Nanomechanical Properties of Stimuli-Responsive Hydrogel Nanocomposite Thin Films for Biomedical Applications
Authors: Mallikarjunachari Gangapuram
Abstract:
The design of stimuli-responsive hydrogel nanocomposite thin films is gaining significant attention in these days due to its wide variety of applications. Soft microrobots, drug delivery, biosensors, regenerative medicine, bacterial adhesion, energy storage and wound dressing are few advanced applications in different fields. In this research work, the nanomechanical properties of composite thin films of 20 microns were tuned by applying homogeneous external DC, and AC magnetic fields of magnitudes 0.05 T and 0.1 T. Polyvinyl alcohol (PVA) used as a matrix material and elliptical hematite nanoparticles (ratio of the length of the major axis to the length of the minor axis is 140.59 ± 1.072 nm/52.84 ± 1.072 nm) used as filler materials to prepare the nanocomposite thin films. Both quasi-static nanoindentation, Nano Dynamic Mechanical Analysis (Nano-DMA) tests were performed to characterize the viscoelastic properties of PVA, PVA+Hematite (0.1% wt, 2% wt and 4% wt) nanocomposites. Different properties such as storage modulus, loss modulus, hardness, and Er/H were carefully analyzed. The increase in storage modulus, hardness, Er/H and a decrease in loss modulus were observed with increasing concentration and DC magnetic field followed by AC magnetic field. Contact angle and ATR-FTIR experiments were conducted to understand the molecular mechanisms such as hydrogen bond formation, crosslinking density, and particle-particle interactions. This systematic study is helpful in design and modeling of magnetic responsive hydrogel nanocomposite thin films for biomedical applications.Keywords: hematite, hydrogel, nanoindentation, nano-DMA
Procedia PDF Downloads 1923449 Cell Biomass and Lipid Productivities of Meyerella planktonica under Autotrophic and Heterotrophic Growth Conditions
Authors: Rory Anthony Hutagalung, Leonardus Widjaja
Abstract:
Microalgae Meyerella planktonica is a potential biofuel source because it can grow in bulk in either autotrophic or heterotrophic condition. However, the quantitative growth of this algal type is still low as it tends to precipitates on the bottom. Beside, the lipid concentration is still low when grown in autotrophic condition. In contrast, heterotrophic condition can enhance the lipid concentration. The combination of autotrophic condition and agitation treatment was conducted to increase the density of the culture. On the other hand, a heterotrophic condition was set up to raise the lipid production. A two-stage experiment was applied to increase the density at the first step and to increase the lipid concentration in the next step. The autotrophic condition resulted higher density but lower lipid concentration compared to heterotrophic one. The agitation treatment produced higher density in both autotrophic and heterotrophic conditions. The two-stage experiment managed to enhance the density during the autotrophic stage and the lipid concentration during the heterotrophic stage. The highest yield was performed by using 0.4% v/v glycerol as a carbon source (2.9±0.016 x 106 cells w/w) attained 7 days after the heterotrophic stage began. The lipid concentration was stable starting from day 7.Keywords: agitation, glycerol, heterotrophic, lipid productivity, Meyerella planktonica
Procedia PDF Downloads 3373448 Physicochemical Characterization of Medium Alkyd Resins Prepared with a Mixture of Linum usitatissimum L. and Plukenetia volubilis L. Oils
Authors: Antonella Hadzich, Santiago Flores
Abstract:
Alkyds have become essential raw materials in the coating and paint industry, due to their low cost, good application properties and lower environmental impact in comparison with petroleum-based polymers. The properties of these oil-modified materials depend on the type of polyunsaturated vegetable oil used for its manufacturing, since a higher degree of unsaturation provides a better crosslinking of the cured paint. Linum usitatissimum L. (flax) oil is widely used to develop alkyd resins due to its high degree of unsaturation. Although it is intended to find non-traditional sources and increase their commercial value, to authors’ best knowledge a natural source that can replace flaxseed oil has not yet been found. However, Plukenetia volubilis L. oil, of Peruvian origin, contains a similar fatty acid polyunsaturated content to the one reported for Linum usitatissimum L. oil. In this perspective, medium alkyd resins were prepared with a mixture of 50% of Linum usitatissimum L. oil and 50% of Plukenetia volubilis L. oil. Pure Linum usitatissimum L. oil was also used for comparison purposes. Three different resins were obtained by varying the amount of glycerol and pentaerythritol. The synthesized alkyd resins were characterized by FT-IR, and physicochemical properties like acid value, colour, viscosity, density and drying time were evaluated by standard methods. The pencil hardness and chemical resistance behaviour of the cured resins were also studied. Overall, it can be concluded that medium alkyd resins containing Plukenetia volubilis L. oil have an equivalent behaviour compared to those prepared purely with Linum usitatissimum L. oil. Both Plukenetia volubilis L. oil and pentaerythritol have a remarkable influence on certain physicochemical properties of medium alkyd resins.Keywords: alkyd resins, flaxseed oil, pentaerythritol, Plukenetia volubilis L. oil, protective coating
Procedia PDF Downloads 1223447 Living at Density: Resident Perceptions in Auckland, New Zealand
Authors: Errol J. Haarhoff
Abstract:
Housing in New Zealand, particularly in Auckland, is dominated by low-density suburbs. Over the past 20 years, housing intensification policies aimed to curb outward low-density sprawl and to concentrate development within an urban boundary have been implemented. This requires the greater deployment of attached housing typologies such apartments, duplexes and terrace housing. There has been strong market response and uptake for higher density development, with the number of building approvals received by the Auckland Council for attached housing units increasing from around 15 percent in 2012/13, to 54 percent in 2017/18. A key question about intensification and strong market uptake in a city where lower density has been the norm, is whether higher density neighborhoods will deliver necessary housing satisfaction? This paper reports on the findings to a questionnaire survey and focus group discussions probing resident perceptions to living at higher density in relation to their dwellings, the neighborhood and their sense of community. The findings reveal strong overall housing satisfaction, including key aspects such as privacy, noise and living in close proximity to neighbors. However, when residents are differentiated in terms of length of tenure, age or whether they are bringing up children, greater variation in satisfaction is detected. For example, residents in the 65-plus age cohort express much higher levels of satisfaction, when compared to the 18-44 year cohorts who more likely to be binging up children. This suggests greater design sensitivity to better accommodate the range of household types. Those who have live in the area longer express greater satisfaction than those with shorter duration, indicating time for adaption to living at higher density. Findings strongly underpin the instrumental role that the public amenities play in overall housing satisfaction and the emergence of a strong sense of community. This underscores the necessity for appropriate investment in the public amenities often lacking in market-led higher density housing development. We conclude with an evaluation of the PPP model, and its part in delivering housing satisfaction. The findings should be of interest to cities, housing developers and built environment professional pursuing housing policies promoting intensification and higher density.Keywords: medium density, housing satisfaction, neighborhoods, sense of community
Procedia PDF Downloads 1373446 Seven Years Assessment on the Suitability of Cocoa Clones Cultivation in High-Density Planting and Its Management in Malaysia
Authors: O. Rozita, N. M. Nik Aziz
Abstract:
High-density planting is usually recommended for a small area of planting in order to increase production. The normal planting distance for cocoa (Theobroma cacao L.) in Malaysia is 3 m x 3 m. The study was conducted at Cocoa Research and Development Centre, Malaysia Cocoa Board, Jengka, Pahang with the objectives to evaluate the suitability of seven cocoa clones under four different planting densities and to study the interaction between cocoa clones and planting densities. The study was arranged in the split plot with randomized complete block design and replicated three times. The cocoa clone was assigned as the main plot and planting density was assigned as a subplot. The clones used in this study were PBC 123, PBC 112, MCBC4, MCBC 5, QH 1003, QH 22, and BAL 244. The planting distance were 3 m x 3 m (1000 stands/ha), 3 m x 1.5 m (2000 stands/ha), 3 m x 1 m (3000 stands/ha) and (1.5 m x 1.5 m) x 3 m (3333 stands/ha). Evaluation on yield performance was carried out for seven years. Clones of PBC 123, QH 1003, and QH 22 obtained the higher yield, meanwhile MCBC 4, MCBC 5, and BAL 244 obtained the lowest yield. In general, high-density planting can increase cocoa production with good management practices. Among the cocoa management practices, the selection of suitable clones with small branching habits and moderately vigorous and proper pruning activity were the most important factor in high-density planting.Keywords: clones, management, planting density, Theobroma cacao, yield
Procedia PDF Downloads 3753445 A Creative Strategy to Functionalize TiN/CNC Composites as Cathode for High-Energy Zinc Ion Capacitors
Authors: Ye Ling, Jiang Yuting, Ruan Haihui
Abstract:
Zinc ion capacitors (ZICs) have garnered tremendous interest recently from researchers due to the perfect integration of batteries and supercapacitors (SC). However, ZICs are currently still facing two major challenges, one is low specific capacitance because of the limited capacity of capacitive cathode materials. In this work, TiN/CNC composites were obtained by a creative method composed of simple mixing and calcination treatment of tetrabutyl titanate (TBOT) and ZIF-8. The formed TiN particles are of ultra-small size and distributed uniformly on the nanoporous carbon matrix, which enhances the conductivity of the composites and the micropores caused by the evaporation of zinc during the calcination process and can serve as the reservoir of electrolytes; both are beneficial to zinc ion storage. When it was used as a cathode with zinc metal and 2M ZnSO₄ as the anode and electrolyte, respectively, in a ZIC device, the assembled device delivered a maximum energy density as high as 153 Wh kg-¹ at a power density of 269.4 W kg-¹, which is superior to many ZICs as reported. Also, it can maintain an energy density of 83.7 Wh kg-¹ at a peak power density of 8.6 kW kg-¹, exhibiting good rate performance. Moreover, when it was charged/discharged for 5000 cycles at a current density of 5 A g-¹, it remained at 85.8% of the initial capacity with a Coulombic efficiency (CE) of nearly 100%.Keywords: zinc ion capacitor, metal nitride, zif-8, supercapacitor
Procedia PDF Downloads 443444 A GIS-Based Study on Geographical Divisions of Sustainable Human Settlements in China
Authors: Wu Yiqun, Weng Jiantao
Abstract:
The human settlements of China are picked up from the land use vector map by interpreting the Thematic Map of 2014. This paper established the sustainable human settlements geographical division evaluation system and division model using GIS. The results show that: The density of human residential areas in China is different, and the density of sustainable human areas is higher, and the west is lower than that in the West. The regional differences of sustainable human settlements are obvious: the north is larger than that the south, the plain regions are larger than those of the hilly regions, and the developed regions are larger than the economically developed regions. The geographical distribution of the sustainable human settlements is measured by the degree of porosity. The degree of porosity correlates with the sustainable human settlement density. In the area where the sustainable human settlement density is high the porosity is low, the distribution is even and the gap between the settlements is low.Keywords: GIS, geographical division, sustainable human settlements, China
Procedia PDF Downloads 5993443 Electronic Structure and Optical Properties of YNi₄Si-Type GdNi₅: A Coulomb Corrected Local-Spin Density Approximation Study
Authors: Sapan Mohan Saini
Abstract:
In this work, we report the calculations on the electronic and optical properties of YNi₄Si-type GdNi₅ compound. Calculations are performed using the full-potential augmented plane wave (FPLAPW) method in the framework of density functional theory (DFT). The Coulomb corrected local-spin density approximation (LSDA+U) in the self-interaction correction (SIC) has been used for exchange-correlation potential. Spin polarised calculations of band structure show that several bands cross the Fermi level (EF) reflect the metallic character. Analysis of density of states (DOS) demonstrates that spin up Gd-f states lie around 7.5 eV below EF and spin down Gd-f lie around 4.5 eV above EF. We found Ni-3d states mainly contribute to DOS from -5.0 eV to the EF. Our calculated results of optical conductivity agree well with the experimental data.Keywords: electronic structure, optical properties, FPLAPW method, YNi₄Si-type GdNi₅
Procedia PDF Downloads 1713442 Second Harmonic Generation of Higher-Order Gaussian Laser Beam in Density Rippled Plasma
Authors: Jyoti Wadhwa, Arvinder Singh
Abstract:
This work presents the theoretical investigation of an enhanced second-harmonic generation of higher-order Gaussian laser beam in plasma having a density ramp. The mechanism responsible for the self-focusing of a laser beam in plasma is considered to be the relativistic mass variation of plasma electrons under the effect of a highly intense laser beam. Using the moment theory approach and considering the Wentzel-Kramers-Brillouin approximation for the non-linear Schrodinger wave equation, the differential equation is derived, which governs the spot size of the higher-order Gaussian laser beam in plasma. The nonlinearity induced by the laser beam creates the density gradient in the background plasma electrons, which is responsible for the excitation of the electron plasma wave. The large amplitude electron plasma wave interacts with the fundamental beam, which further produces the coherent radiations with double the frequency of the incident beam. The analysis shows the important role of the different modes of higher-order Gaussian laser beam and density ramp on the efficiency of generated harmonics.Keywords: density rippled plasma, higher order Gaussian laser beam, moment theory approach, second harmonic generation.
Procedia PDF Downloads 1773441 Electronic Structure Calculation of AsSiTeB/SiAsBTe Nanostructures Using Density Functional Theory
Authors: Ankit Kargeti, Ravikant Shrivastav, Tabish Rasheed
Abstract:
The electronic structure calculation for the nanoclusters of AsSiTeB/SiAsBTe quaternary semiconductor alloy belonging to the III-V Group elements was performed. Motivation for this research work was to look for accurate electronic and geometric data of small nanoclusters of AsSiTeB/SiAsBTe in the gaseous form. The two clusters, one in the linear form and the other in the bent form, were studied under the framework of Density Functional Theory (DFT) using the B3LYP functional and LANL2DZ basis set with the software packaged Gaussian 16. We have discussed the Optimized Energy, Frontier Orbital Energy Gap in terms of HOMO-LUMO, Dipole Moment, Ionization Potential, Electron Affinity, Binding Energy, Embedding Energy, Density of States (DoS) spectrum for both structures. The important findings of the predicted nanostructures are that these structures have wide band gap energy, where linear structure has band gap energy (Eg) value is 2.375 eV and bent structure (Eg) value is 2.778 eV. Therefore, these structures can be utilized as wide band gap semiconductors. These structures have high electron affinity value of 4.259 eV for the linear structure and electron affinity value of 3.387 eV for the bent structure form. It shows that electron acceptor capability is high for both forms. The widely known application of these compounds is in the light emitting diodes due to their wide band gap nature.Keywords: density functional theory, DFT, density functional theory, nanostructures, HOMO-LUMO, density of states
Procedia PDF Downloads 1143440 Electrochemical Study of Al-Doped K₂CO₃ Activated Coconut Husk Carbon-Based Composite Anode Material for Battery Applications
Authors: Alpha Matthew
Abstract:
The Composites of Al-Doped K₂CO₃ activated coconut husk carbon, Al₀.₁:(K₂CO₃C)₀.₉ and AI₀.₃:(K₂CO₃C)₀.₇, were prepared using the hydrothermal method and drop casting deposition technique. The electrochemical performance of the Al-doped K₂CO₃ activated coconut husk carbon composite as a promising anode material for lithium-ion batteries was characterised by cyclic voltammetry analysis, electrochemical impedance spectroscopy, and galvanostatic charge discharge analysis. The charges that are retained in the anode material during charging showed a linear decline in charge capacity as the charging current intensity increased. Ionic polarisation was the reason for the observed drop in the charge and discharge capabilities at the current density of 5 A/g. Having greater specific capacitance and energy density, the composite Al₀.₁:(K₂CO₃C)₀.₉ is a better anode material for electrochemical applications compared to AI₀.₃:(K₂CO₃C)₀.₇, also its comparatively higher power density at a scan rate of 5 mV/s is mostly explained by its lower equivalent series resistance.Keywords: coconut carbon husk, power density, energy density, battery, anode electrode
Procedia PDF Downloads 233439 Pva-bg58s-cl-based Barrier Membranes For Guided Tissue/bone Regeneration Therapy
Authors: Isabela S. Gonçalves, Vitor G. P. Lima, Tiago M. B. Campos, Marcos Jacobovitz, Luana M. R. Vasconcellos, Ivone R. Oliveira
Abstract:
Periodontitis is an infectious disease of multifactorial origin, which originates from a periodontogenic bacterial biofilm that colonizes the surfaces of the teeth, resulting in an inflammatory reaction to microbial aggression. In the absence of adequate treatment, it can lead to the gradual destruction of the periodontal ligaments, cementum and alveolar bone. In guided tissue/bone regeneration therapy (GTR/GBR), a barrier membrane is placed between the fibrous tissues and the bone defect to prevent unwanted incursions of fibrous tissues into the bone defect, thus allowing the regeneration of quality bone. Currently, there are a significant number of biodegradable barrier membranes available on the market. However, a very common problem is that the membranes are not bioactive/osteogenic, that is, they are incapable of inducing a favorable osteogenic response and integration with the host tissue, resulting in many cases in displacement/expulsion of the membrane, requiring a new surgical procedure and replacement of the implant. Aiming to improve the bioactive and osteogenic properties of the membrane, this work evaluated the production of membranes that integrate the biocompatibility of the hydrophilic synthetic polymer (polyvinyl alcohol - PVA) with the osteogenic effects of chlorinated bioactive glasses (BG58S-Cl), using the electrospinning equipment (AeroSpinner L1.0 from Areka) which allows the execution of spinning by high voltage and/or blowing in solution and with a high production rate, enabling development on an industrial scale. In the formulation of bioactive glasses, the replacement of nitrates by chlorinated molecules has shown to be a promising alternative, since the chloride ion is naturally present in the body and, with its presence in the bioactive glass, the biocompatibility of the material increases. Thus, in this work, chlorinated bioactive glasses were synthesized by the sol-gel route using the compounds tetraethyl orthosilicate (TEOS), calcium chloride dihydrate and monobasic ammonium phosphate with pH adjustments with 37% HCl (1.5 or 2.5) and different calcination temperatures (500, 600 and 700 °C) were evaluated. The BG-58S-Cl powders obtained were characterized by pH, conductivity and zeta potential x time curves and by SEM/FEG, FTIR-ATR and Raman tests. The material produced under the selected conditions was evaluated in relation to the milling procedure, obtaining particles suitable for incorporation into PVA polymer solutions to be electrospun (D50 = 22 µm). Membranes were produced and evaluated regarding the influence of the crosslinking agent content as well as the crosslinking treatment temperature (3, 5 and 10 wt% citric acid) and (130 or 175 oC) and were characterized by SEM/FEG, FTIR, TG and DSC. From the optimization of the crosslinking conditions, membranes were prepared by adding BG58S-Cl powder (5 and 10 wt%) to the PVA solutions and were characterized by SEM-FEG, DSC, bioactivity in SBF and behavior in cell culture (cell viability, total protein content, alkaline phosphatase, mineralization nodules). The micrographs showed homogeneity of the distribution of BG58S-Cl particles throughout the sample, favoring cell differentiation.Keywords: barrier membranes, chlorinated bioactive glasses, polyvinyl alcohol, tissue regeneration.
Procedia PDF Downloads 103438 Novel Spoke-Type BLDC Motor Design for Cost Effective and High Power Density
Authors: Suyong Kim
Abstract:
Recently because of the rise in the price of rare earth magnet, interest of non-rare earth or less-rare earth motor is growing. Especially to achieve the high power density, Spoke-Type BLDC (Brushless Permanent Magnet) Motor with ferrite permanent magnet are spotlighted. But Spoke-Type Ferrite BLDC Motor has much of magnetic flux leakage in the direction of rotor shaft. In order to solve this problem, there are two conventional ways. But conventional ways bring the increases of product cost or the decreases of the power density. Therefore, this paper proposes new Spoke-Type BLDC Rotor shape that has the advantages of both conventional methods. The new shape is consists of a one-piece core. The inside and the outside of the rotor are open alternately. So it can take reduced production cost and high power density.Keywords: motor, BLDC, spoke, ferrite
Procedia PDF Downloads 5733437 The Emergence of a Hexagonal Pattern in Shear-Thickening Suspension under Orbital Shaking
Authors: Li-Xin Shi, Meng-Fei Hu, Song-Chuan Zhao
Abstract:
Dense particle suspensions composed of mixtures of particles and fluid are omnipresent in natural phenomena and in industrial processes. Dense particle suspension under shear may lose its uniform state to large local density and stress fluctuations which challenge the mean-field description of the suspension system. However, it still remains largely debated and far from fully understood of the internal mechanism. Here, a dynamics of a non-Brownian suspension is explored under horizontal swirling excitations, where high-density patches appear when the excitation frequency is increased beyond a threshold. These density patches are self-assembled into a hexagonal pattern across the system with further increases in frequency. This phenomenon is underlined by the spontaneous growth of density waves (instabilities) along the flow direction, and the motion of these density waves preserves the circular path and the frequency of the oscillation. To investigate the origin of the phenomena, the constitutive relationship calibrated by independent rheological measurements is implemented into a simplified two-phase flow model. And the critical instability frequency in theory calculation matches the experimental measurements quantitatively without free parameters. By further analyzing the model, the instability is found to be closely related to the discontinuous shear thickening transition of the suspension. In addition, the long-standing density waves degenerate into random fluctuations when replacing the free surface with rigid confinement. It indicates that the shear-thickened state is intrinsically heterogeneous, and the boundary conditions are crucial for the development of local disturbance.Keywords: dense suspension, instability, self-organization, density wave
Procedia PDF Downloads 883436 Strength & Density of an Autoclaved Aerated Concrete Using Various Air Entraining Agent
Authors: Shashank Gupta, Shiva Garg
Abstract:
The purpose of the present paper is to study the changes in the strength characteristics of autoclaved aerated concrete (AAC) and also the density when different expansion agents are used. The expansion agent so used releases air in the concrete thereby making it lighter by reducing its density. It also increases the workability of the concrete. The various air entraining agents used for this study are hydrogen peroxide, oleic acid, and olive oil. The addition of these agents causes the concrete to rise like cake but it reduces the strength of concrete due to the formation of air voids. The amount of agents chosen for concrete production are 0.5%, 1%, 1.5% by weight of cement.Keywords: AAC, olive oil, hydrogen peroxide, oleic acid, steam curing
Procedia PDF Downloads 3663435 Electronic States at SnO/SnO2 Heterointerfaces
Authors: A. Albar, U. Schwingenschlogel
Abstract:
Device applications of transparent conducting oxides require a thorough understanding of the physical and chemical properties of the involved interfaces. We use ab-initio calculations within density functional theory to investigate the electronic states at the SnO/SnO2 hetero-interface. Tin dioxide and monoxide are transparent materials with high n-type and p-type mobilities, respectively. This work aims at exploring the modifications of the electronic states, in particular the charge transfer, in the vicinity of the hetero-interface. The (110) interface is modeled by a super-cell approach in order to minimize the mismatch between the lattice parameters of the two compounds. We discuss the electronic density of states as a function of the distance to the interface.Keywords: density of states, ab-initio calculations, interface states, charge transfer
Procedia PDF Downloads 4183434 Numerical Prediction of Wall Eroded Area by Cavitation
Authors: Ridha Zgolli, Ahmed Belhaj, Maroua Ennouri
Abstract:
This study presents a new method to predict cavitation area that may be eroded. It is based on the post-treatment of URANS simulations in cavitant flows. The most RANS calculations with incompressible consideration are based on cavitation model using mixture fluid with density (ρm) calculated as a function of liquid density (ρliq), vapour or gas density (ρvap) and vapour or gas volume fraction α (ρm = αρvap + (1-α) ρliq). The calculations are performed on hydrofoil geometries and compared with experimental works concerning flows characteristics (size of pocket, pressure, velocity). We present here the used cavitation model and the approach followed to evaluate the value of α fixing the shape of pocket around wall before collapsing.Keywords: flows, CFD, cavitation, erosion
Procedia PDF Downloads 3383433 Relation between Biochemical Parameters and Bone Density in Postmenopausal Women with Osteoporosis
Authors: Shokouh Momeni, Mohammad Reza Salamat, Ali Asghar Rastegari
Abstract:
Background: Osteoporosis is the most prevalent metabolic bone disease in postmenopausal women associated with reduced bone mass and increased bone fracture. Measuring bone density in the lumbar spine and hip is a reliable measure of bone mass and can therefore specify the risk of fracture. Dual-energy X-ray absorptiometry(DXA) is an accurate non-invasive system measuring the bone density, with low margin of error and no complications. The present study aimed to investigate the relationship between biochemical parameters with bone density in postmenopausal women. Materials and methods: This cross-sectional study was conducted on 87 postmenopausal women referred to osteoporosis centers in Isfahan. Bone density was measured in the spine and hip area using DXA system. Serum levels of calcium, phosphorus, alkaline phosphatase and magnesium were measured by autoanalyzer and serum levels of vitamin D were measured by high-performance liquid chromatography(HPLC). Results: The mean parameters of calcium, phosphorus, alkaline phosphatase, vitamin D and magnesium did not show a significant difference between the two groups(P-value>0.05). In the control group, the relationship between alkaline phosphatase and BMC and BA in the spine was significant with a correlation coefficient of -0.402 and 0.258, respectively(P-value<0.05) and BMD and T-score in the femoral neck area showed a direct and significant relationship with phosphorus(Correlation=0.368; P-value=0.038). There was a significant relationship between the Z-score with calcium(Correlation=0.358; P-value=0.044). Conclusion: There was no significant relationship between the values of calcium, phosphorus, alkaline phosphatase, vitamin D and magnesium parameters and bone density (spine and hip) in postmenopausKeywords: osteoporosis, menopause, bone mineral density, vitamin d, calcium, magnesium, alkaline phosphatase, phosphorus
Procedia PDF Downloads 1763432 On the Cluster of the Families of Hybrid Polynomial Kernels in Kernel Density Estimation
Authors: Benson Ade Eniola Afere
Abstract:
Over the years, kernel density estimation has been extensively studied within the context of nonparametric density estimation. The fundamental components of kernel density estimation are the kernel function and the bandwidth. While the mathematical exploration of the kernel component has been relatively limited, its selection and development remain crucial. The Mean Integrated Squared Error (MISE), serving as a measure of discrepancy, provides a robust framework for assessing the effectiveness of any kernel function. A kernel function with a lower MISE is generally considered to perform better than one with a higher MISE. Hence, the primary aim of this article is to create kernels that exhibit significantly reduced MISE when compared to existing classical kernels. Consequently, this article introduces a cluster of hybrid polynomial kernel families. The construction of these proposed kernel functions is carried out heuristically by combining two kernels from the classical polynomial kernel family using probability axioms. We delve into the analysis of error propagation within these kernels. To assess their performance, simulation experiments, and real-life datasets are employed. The obtained results demonstrate that the proposed hybrid kernels surpass their classical kernel counterparts in terms of performance.Keywords: classical polynomial kernels, cluster of families, global error, hybrid Kernels, Kernel density estimation, Monte Carlo simulation
Procedia PDF Downloads 933431 The Structure and Composition of Plant Communities in Ajluon Forest Reserve in Jordan
Authors: Maher J. Tadros, Yaseen Ananbeh
Abstract:
The study area is located in Ajluon Forest Reserve northern part of Jordan. It consists of Mediterranean hills dominated by open woodlands of oak and pistachio. The aims of the study were to investigate the positive and negative relationships between the locals and the protected area and how it can affect the long-term forest conservation. The main research objectives are to review the impact of establishing Ajloun Forest Reserve on nature conservation and on the livelihood level of local communities around the reserve. The Ajloun forest reserve plays a fundamental role in Ajloun area development. The existence of initiatives of nature conservation in the area supports various socio-economic activities around the reserve that contribute towards the development of local communities in Ajloun area. A part of this research was to conduct a survey to study the impact of Ajloun forest reserve on biodiversity composition. Also, studying the biodiversity content especially for vegetation to determine the economic impacts of Ajloun forest reserve on its surroundings was studied. In this study, several methods were used to fill the objectives including point-centered quarter method which involves selecting randomly 50 plots at the study site. The collected data from the field showed that the absolute density was (1031.24 plant per hectare). Density was recorded and found to be the highest for Quecus coccifera, and relative density of (73.7%), this was followed by Arbutus andrachne and relative density (7.1%), Pistacia palaestina and relative density (10.5%) and Crataegus azarulus (82.5 p/ha) and relative density (5.1%),Keywords: composition, density, frequency, importance value, point-centered quarter, structure, tree cover
Procedia PDF Downloads 278