Search results for: bone mineral density
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4851

Search results for: bone mineral density

1791 Static Eccentricity Fault Diagnosis in Synchronous Reluctance Motor and Permanent Magnet Assisted Synchronous Reluctance Motor

Authors: M. Naeimi, H. Aghazadeh, E. Afjei, A. Siadatan

Abstract:

In this paper, a novel view of air gap magnetic field analysis of synchronous reluctance motor and permanent magnet assisted synchronous reluctance motor under static eccentricity to provide the precise fault diagnosis based on three-dimensional finite element method is presented. Analytical nature of this method makes it possible to simulate reliable and precise model by considering the end effects and axial fringing effects. The results of the three-dimensional finite element analysis of synchronous reluctance motor and permanent magnet synchronous reluctance motor such as flux linkage, flux density, and compression both of SynRM and PM-SynRM for various eccentric motor conditions are obtained and analyzed. These results present useful information regarding to the detection of static eccentricity.

Keywords: synchronous reluctance motor (SynRM), permanent magnet assisted synchronous reluctance motor (PMaSynRM), finite element method, static eccentricity, fault analysis

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1790 Association of Phosphorus and Magnesium with Fat Indices in Children with Metabolic Syndrome

Authors: Mustafa M. Donma, Orkide Donma

Abstract:

Metabolic syndrome (MetS) is a disease associated with obesity. It is a complicated clinical problem possibly affecting body composition as well as macrominerals. These parameters gain further attention, particularly in the pediatric population. The aim of this study is to investigate the amount of discrete body composition fractions in groups that differ in the severity of obesity. Also, the possible associations with calcium (Ca), phosphorus (P), magnesium (Mg) will be examined. The study population was divided into four groups. Twenty-eight, 29, 34, and 34 children were involved in Group 1 (healthy), 2 (obese), 3 (morbid obese), and 4 (MetS), respectively. Institutional Ethical Committee approved the study protocol. Informed consent forms were obtained from the participants. The classification of obese groups was performed based upon the recommendations of the World Health Organization. Metabolic syndrome components were defined. Serum Ca, P, Mg concentrations were measured. Within the scope of body composition, fat mass, fat-free mass, protein mass, mineral mass were determined by a body composition monitor using bioelectrical impedance analysis technology. Weight, height, waist circumference, hip circumference, head circumference, and neck circumference values were recorded. Body mass index, diagnostic obesity notation model assessment index, fat mass index, and fat-free mass index values were calculated. Data were statistically evaluated and interpreted. There was no statistically significant difference among the groups in terms of Ca and P concentrations. Magnesium concentrations differed between Group 1 and Group 4. Strong negative correlations were detected between P as well as Mg and fat mass index as well as diagnostic obesity notation model assessment index in Group 4, the group, which comprised morbid obese children with MetS. This study emphasized unique associations of P and Mg minerals with diagnostic obesity notation model assessment index and fat mass index during the evaluation of morbid obese children with MetS. It was also concluded that diagnostic obesity notation model assessment index and fat mass index were more proper indices in comparison with body mass index and fat-free mass index for the purpose of defining body composition in children.

Keywords: children, fat mass, fat-free mass, macrominerals, obesity

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1789 Evaluation of Fuel Properties of Six Tropical Hardwood Timber Species for Briquettes

Authors: Stephen J. Mitchual, Kwasi Frimpong-Mensah, Nicholas A. Darkwa

Abstract:

The fuel potential of six tropical hardwood species namely: Triplochiton scleroxylon, Ceiba pentandra, Aningeria robusta, Terminalia superba, Celtis mildbreadii and Piptadenia africana were studied. Properties studied include the species density, gross calorific value, volatile matter, ash, organic carbon, N, H, S, Cu, Pb, As and Cd content. Fuel properties were determined using standard laboratory methods. The result indicates that the Gross Calorific Value (GCV) of the species ranged from 20.16 to 22.22 MJ/kg and they slightly varied from each other. Additionally, the GCV of the biomass materials were higher than that of other biomass materials like; wheat straw, rice straw, maize straw and sugar cane. The ash and volatile matter content varied from 0.6075 to 5.0407%, and 75.23% to 83.70% respectively. The overall rating of the properties of the six biomass materials suggest that Piptadenia africana has the best fuel property to be used as briquettes and Aningeria robusta the worse. This study therefore suggests that a holistic assessment of a biomass material needs to be done before selecting it for fuel purpose.

Keywords: ash content, briquette, calorific value, elemental composition, species, volatile matter

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1788 Calculating of the Heat Exchange in a Rotating Pipe: Application to the Cooling of Turbine Blades

Authors: A. Miloud

Abstract:

In this work, the results of numerical simulations of the turbulent flow with 3D heat transfer are presented for the case of two U-shaped channels and rotating rectangular section. The purpose of this investigation was to study the effect of the corrugated walls of the heated portion on the improved cooling, in particular the influence of the wavelength. The calculations were performed for a Reynolds number ranging from 10 000 to 100 000, two values of the number of rotation (Ro = 0.0 to 0.14) and a ratio of the restricted density to 0.13. In these simulations, ANSYS FLUENT code was used to solve the Reynolds equations expressing relations between different fields averaged variables over time. Model performance k-omega SST model and RSM are evaluated through a comparison of the numerical results for each model and the experimental and numerical data available. In this work, detailed average temperature predictions, the scope of the secondary flow and distributions of local Nusselt are presented. It turns out that the corrugated configuration further urges the heat exchange provided to reduce the velocity of the coolant inside the channel.

Keywords: cooling blades, corrugated walls, model k-omega SST and RSM, fluent code, rotation effect

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1787 Increased Energy Efficiency and Improved Product Quality in Processing of Lithium Bearing Ores by Applying Fluidized-Bed Calcination Systems

Authors: Edgar Gasafi, Robert Pardemann, Linus Perander

Abstract:

For the production of lithium carbonate or hydroxide out of lithium bearing ores, a thermal activation (calcination/decrepitation) is required for the phase transition in the mineral to enable an acid respectively soda leaching in the downstream hydrometallurgical section. In this paper, traditional processing in Lithium industry is reviewed, and opportunities to reduce energy consumption and improve product quality and recovery rate will be discussed. The conventional process approach is still based on rotary kiln calcination, a technology in use since the early days of lithium ore processing, albeit not significantly further developed since. A new technology, at least for the Lithium industry, is fluidized bed calcination. Decrepitation of lithium ore was investigated at Outotec’s Frankfurt Research Centre. Focusing on fluidized bed technology, a study of major process parameters (temperature and residence time) was performed at laboratory and larger bench scale aiming for optimal product quality for subsequent processing. The technical feasibility was confirmed for optimal process conditions on pilot scale (400 kg/h feed input) providing the basis for industrial process design. Based on experimental results, a comprehensive Aspen Plus flow sheet simulation was developed to quantify mass and energy flow for the rotary kiln and fluidized bed system. Results show a significant reduction in energy consumption and improved process performance in terms of temperature profile, product quality and plant footprint. The major conclusion is that a substantial reduction of energy consumption can be achieved in processing Lithium bearing ores by using fluidized bed based systems. At the same time and different from rotary kiln process, an accurate temperature and residence time control is ensured in fluidized-bed systems leading to a homogenous temperature profile in the reactor which prevents overheating and sintering of the solids and results in uniform product quality.

Keywords: calcination, decrepitation, fluidized bed, lithium, spodumene

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1786 Determination of the Structural Parameters of Calcium Phosphate for Biomedical Use

Authors: María Magdalena Méndez-González, Miguel García Rocha, Carlos Manuel Yermo De la Cruz

Abstract:

Calcium phosphate (Ca5(PO4)3(X)) is widely used in orthopedic applications and is widely used as powder and granules. However, their presence in bone is in the form of nanometric needles 60 nm in length with a non-stoichiometric phase of apatite contains CO3-2, Na+, OH-, F-, and other ions in a matrix of collagen fibers. The crystal size, morphology control and interaction with cells are essential for the development of nanotechnology. The structural results of calcium phosphate, synthesized by chemical precipitation with crystal size of 22.85 nm are presented in this paper. The calcium phosphate powders were analyzed by X-ray diffraction, energy dispersive spectroscopy (EDS), infrared spectroscopy and FT-IR transmission electron microscopy. Network parameters, atomic positions, the indexing of the planes and the calculation of FWHM (full width at half maximum) were obtained. The crystal size was also calculated using the Scherer equation d (hkl) = cλ/βcosѲ. Where c is a constant related to the shape of the crystal, the wavelength of the radiation used for a copper anode is 1.54060Å, Ѳ is the Bragg diffraction angle, and β is the width average peak height of greater intensity. Diffraction pattern corresponding to the calcium phosphate called hydroxyapatite phase of a hexagonal crystal system was obtained. It belongs to the space group P63m with lattice parameters a = 9.4394 Å and c = 6.8861 Å. The most intense peak is obtained 2Ѳ = 31.55 (FWHM = 0.4798), with a preferred orientation in 121. The intensity difference between the experimental data and the calculated values is attributable to the temperature at which the sintering was performed. The intensity of the highest peak is at angle 2Ѳ = 32.11. The structure of calcium phosphate obtained was a hexagonal configuration. The intensity changes in the peaks of the diffraction pattern, in the lattice parameters at the corners, indicating the possible presence of a dopant. That each calcium atom is surrounded by a tetrahedron of oxygen and hydrogen was observed by infrared spectra. The unit cell pattern corresponds to hydroxyapatite and transmission electron microscopic crystal morphology corresponding to the hexagonal phase with a preferential growth along the c-plane was obtained.

Keywords: structure, nanoparticles, calcium phosphate, metallurgical and materials engineering

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1785 Representative Concentration Pathways Approach on Wolbachia Controlling Dengue Virus in Aedes aegypti

Authors: Ida Bagus Mandhara Brasika, I Dewa Gde Sathya Deva

Abstract:

Wolbachia is recently developed as the natural enemy of Dengue virus (DENV). It inhibits the replication of DENV in Aedes aegypti. Both DENV and its vector, Aedes aegypty, are sensitive to climate factor especially temperature. The changing of climate has a direct impact on temperature which means changing the vector transmission. Temperature has been known to effect Wolbachia density as it has an ideal temperature to grow. Some scenarios, which are known as Representative Concentration Pathways (RCPs), have been developed by Intergovernmental Panel on Climate Change (IPCC) to predict the future climate based on greenhouse gases concentration. These scenarios are applied to mitigate the future change of Aedes aegypti migration and how Wolbachia could control the virus. The prediction will determine the schemes to release Wolbachia-injected Aedes aegypti to reduce DENV transmission.

Keywords: Aedes aegypti, climate change, dengue virus, Intergovernmental Panel on Climate Change, representative concentration pathways, Wolbachia

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1784 Random Analysis of Physical and Mechanical Characteristics of Superfine Animal Fibres

Authors: Sepehr Moradi

Abstract:

The physical and mechanical property parameters, inter-relation of key dimensional and distribution profile of raw Australia Superfine Merino Wool (ASFW) and Inner Mongolia Cashmere (IMC) fibres have been studied. The relationship between the properties of these fibres is assessed using fit transformation functions obtained through correlation coefficient analysis. ASFW and IMC fibre properties are found to be both positively skewed and asymmetric in nature. Whilst fibre diameter varies along its length and both ends have a tapering shape. The basic physical features, namely linear density, true local diameter, true length and breaking load are positively correlated while their tenacity is negatively correlated. The tenacity and true length follow a second order polynomial while the true local diameter is linearly correlated. Assessment of the diameter and length is sufficient to estimate the evaluation of quality for commercial grade ASFW and IMC fibres.

Keywords: Australia Superfine Merino Wool fibre, Inner Mongolia Cashmere fibre, distribution profile, physical properties

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1783 Impact of Relaxing Incisions on Maxillofacial Growth Following Sommerlad–Furlow Modified Technique in Patients with Isolated Cleft Palate: A Preliminary Comparative Study

Authors: Sadam Elayah, Yang Li, Bing Shi

Abstract:

Background: The impact of relaxing incisions on maxillofacial growth during palatoplasty remains a topic of debate, and further research is needed to understand its effects fully. Thus, the current study is the first long-term study that aimed to assess the maxillofacial growth of patients with isolated cleft palate following the Sommerlad-Furlow modified (S.F) technique and to estimate the impact of relaxing incisions on maxillofacial growth following S.F technique in patients with isolated cleft palate. Methods: A total of 85 participants, 55 patients with non-syndromic isolated soft and hard cleft palate underwent primary palatoplasty with our technique (30 patients received the Sommerlad-Furlow modified technique without relaxing incision (S.F+RI group), and 25 received Sommerlad-Furlow modified technique without relaxing (S.F-RI group) with no significant difference found between them regarding the cleft type, cleft width, and age at repair. While the other 30 were normal participants with skeletal class I pattern (C group). The control group was matched with the study group in number, age, and sex. All the study variables were measured using stable landmarks, including 12 linear and 10 angular variants. Results: The mean ages at collection of cephalograms were 6.03±0.80 in the S.F+RI group, 5.96±0.76 in the S.F-RI group, and 5.91±0.87 in the C group. Regarding cranial base, the results showed no statistically significant differences between the three groups in S-N and S-N-Ba. The S.F+R.I group had a significantly shorter S-Ba than the S.F-R.I & C groups (P= 0.01). However, there was no statistically significant difference between the S.F-R.I & C groups (P=0.80). Regarding the skeletal maxilla, there was no significant difference between the S.F+R.I and S.F-R.I groups in all linear measurements (N-ANS, S- PM & SN-PP ) except Co-A, the S.F+R.I group had significantly shorter Co-A than the S.F-R.I & C groups (P= <0.01). While the angular measurement, S.F+R.I group had significantly less SNA angle than the S.F-R.I & C groups (P= <0.01). Regarding mandibular bone, there were no statistically significant differences in all linear and angular mandibular measurements between the S.F+R.I and S.F-R.I groups. Regarding intermaxillary relation, the S.F+R.I group had significant differences in Co-Gn - Co-A and ANB compared to the S.F-R.I & C groups (P= <0.01). There was no statistically significant difference in PP-MP among the three groups. Conclusion: As a preliminary report, the Sommerlad-Furlow modified technique without relaxing incisions was found to have good maxillary positioning in the face and a satisfactory intermaxillary relationship compared to the Sommerlad-Furlow modified technique with relaxing incisions.

Keywords: relaxing incisions, cleft palate, palatoplasty, maxillofacial growth

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1782 Effects of Stirring Time and Reinforcement Preheating on the Porosity of Particulate Periwinkle Shell-Aluminium 6063 Metal Matrix Composite (PPS-ALMMC) Produced by Two-Step Casting

Authors: Reginald Umunakwe, Obinna Chibuzor Okoye, Uzoma Samuel Nwigwe, Damilare John Olaleye, Akinlabi Oyetunji

Abstract:

The potential for the development of PPS-AlMMCs as light weight material for industrial applications was investigated. Periwinkle shells were milled and the density of the particles determined. Particulate periwinkle shell of particle size 75µm was used to reinforce aluminium 6063 alloy at 10wt% filler loading using two-step stir casting technique. The composite materials were stirred for five minutes in a semi-solid state and the stirring time varied as 3, 6 and 9 minutes at above the liquidus temperature. A specimen was also produced with pre-heated filler. The effect of variation in stirring time and reinforcement pre-heating on the porosity of the composite materials was investigated. The results of the analysis show that a composition of reinforcement pre-heating and stirring for 3 minutes produced a composite material with the lowest porosity of 1.05%.

Keywords: composites, periwinkle shell, two-step casting, porosity

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1781 BSYJ Promoting Homing and Differentiation of Mesenchymal Stem Cells at the Retina of Age-Related Macular Degeneration Model Mice Induced by Sodium Iodate

Authors: Lina Liang, Kai Xu, Jing Zhang

Abstract:

Purpose: Age-related macular degeneration (AMD) is a major leading cause of visual impairment and blindness with no cure currently established. Cell replacement is discussed as a potential therapy for AMD. Besides intravitreal injection and subretinal injection, intravenous administration has been explored as an alternative route. This study is to observe the effect of BSYJ, a traditional Chinese medicine on the homing and differentiation of mesenchymal stem cells transplanted via tail vein injection in an age-related macular degeneration mouse model. Methods: Four-week-old C57BL/6J mice were injected with 40 mg/kg NaIO₃ to induce age-related macular degeneration model. At the second day after NaIO₃ injection, 1×10⁷ GFP labeled bone marrow-derived mesenchymal stem cells (GFP-MSCs) were transplanted via tali vein injection into the experimental mice. Then the mice were randomly divided into two groups, gavaged with either BSYJ solution (BSYJ group, n=12) or distilled water (DW group, n=12). 12 age-matched healthy C57BL/6J mice were fed regularly as normal control. At day 7, day 14, and day 28 after treatment, retina flat mounting was used to detect the homing of mesenchymal stem cells at the retina. Double-labeling immunofluorescence was used to determine the differentiation of mesenchymal stem cells. Results: At 7, 14, 28 days after treatment, the numbers of GFP-MSCs detected by retina flatmount were 10.2 ± 2.5, 14.5 ± 3.4 and 18.7 ± 5.8, respectively in the distilled water group, while 15.7 ± 3.8, 32.3 ± 3.5 and 77.3 ± 6.4 in BSYJ group, the differences between the two groups were significant (p < 0.05). At 28 days after treatment, it was shown by double staining immunofluorescence that there were more GFP positive cells in the retina of BSYJ group than that of the DW group, but none of the cells expressed RPE specific genes such as RPE65 and CRALBP, or photoreceptor genes such as recoverin and rhodopsin either in BSYJ group or DW group. However, GFAP positive cells were found among the cells labeled with GFP, and the double labeling cells were much more in the BSYJ group than the distilled water group. Conclusion: BSYJ could promote homing of mesenchymal stem cells at the retina of age-related macular degeneration model mice induced by NaIO₃, and the differentiation towards to glial cells. Acknowledgement: National Natural Foundation of China (No: 81473736, 81674033,81973912).

Keywords: BSYJ, differentiation, homing, mesenchymal stem cells

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1780 Influence of Stacking Sequence on Properties of Sheep-Wool/Glass Reinforced Epoxy Hybrid Composites

Authors: G. B. Manjunatha

Abstract:

Natural fibers have been considerable demand in recent years due to their ecofriendly and renewable nature. The advantages of low density, acceptable specific properties, better thermal and insulate properties with low cost.In the present study, hybrid composite associating Sheep wool fiber and glass fiber reinforced with epoxy were developed and investigated the effect of stacking sequence on physical and chemical properties. The hybrid composite was designed for engineering applications as an alternative material to glass fiber composites. The hybrid composite laminates were fabricated by using hand lay-up technique at total fiber volume fraction of 60% (Sheep wool fiber 30% and Glass fiber 30%) and 40% reinforcement. The specimen preparation and testing were conducted as per American Society for Testing and Materials (ASTM) standards. Three different stacking are used. The result shows that tensile and bending tests of sequence of glass fiber between sheep wool fiber have high strength and maximum bending compared to other sequence of composites. At the same time better moisture and chemical absorption were observed.

Keywords: hybrid composites, mechanical properties, polymer composites, stacking sequence

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1779 IL4/IL13 STAT6 Mediated Macrophage Polarization During Acute and Chronic Pancreatitis

Authors: Hager Elsheikh, Juliane Glaubitz, Frank Ulrich Weiss, Matthias Sendler

Abstract:

Aim: Acute pancreatitis (AP) and chronic pancreatitis (CP) are both accompanied by a prominent immune response which influences the course of disease. Whereas during AP the pro-inflammatory immune response dominates, during CP a fibroinflammatory response regulates organ remodeling. The transcription factor signal transducer and activator of transcription 6 (STAT6) is a crucial part of the Type 2 immune response. Here we investigate the role of STAT6 in a mouse model of AP and CP. Material and Methods: AP was induced by hourly repetitive i.p. injections of caerulein (50µg/kg/bodyweight) in C57Bl/6 J and STAT6-/- mice. CP was induced by repetitive caerulein injections 6 times a day, 3 days a week over 4 weeks. Disease severity was evaluated by serum amylase/lipase measurement, H&E staining of pancreas. Pancreatic infiltrate was characterized by immunofluorescent labeling of CD68, CD206, CCR2, CD4 and CD8. Pancreas fibrosis was evaluated by Azan blue staining. qRT-PCR was performed of Arg1, Nos2, Il6, Il1b, Col3a, Socs3 and Ym1. Affymetrix chip array analyses were done to illustrate the IL4/IL13/STAT6 signaling in bone marrow derived macrophages. Results: AP severity is mitigated in STAT6-/- mice, as shown by decreased serum amylase and lipase, as well as histological damage. CP mice surprisingly showed only slightly reduced fibrosis of the pancreas. Also staining of CD206 a classical marker of alternatively activated macrophages showed no decrease of M2-like polarization in the absence of STAT6. In contrast, transcription profile analysis in BMDM showed complete blockade of the IL4/IL13 pathway in STAT6-/- animals. Conclusion: STAT6 signaling pathway is protective during AP and mitigates the pancreatic damage. During chronic pancreatitis the IL4/IL13 – STAT6 axisis involved in organ fibrogenesis. Notably, fibrosis is not dependent on a single signaling pathway, and alternative macrophage activation is also complex and involves different subclasses (M2a, M2b, M2c and M2d) which could be independent of the IL4/IL13 STAT6 axis.

Keywords: chronic pancreatitis, macrophages, IL4/IL13, Type immune response

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1778 Proteomic Evaluation of Sex Differences in the Plasma of Non-human Primates Exposed to Ionizing Radiation for Biomarker Discovery

Authors: Christina Williams, Mehari Weldemariam, Ann M. Farese, Thomas J. MacVittie, Maureen A. Kane

Abstract:

Radiation exposure results in dose-dependent and time-dependent multi-organ damage. Drug development of medical countermeasures (MCM) for radiation-induced injury occurs under the FDA Animal Rule because human efficacy studies are not ethical or feasible. The FDA Animal Rule requires the representation of both sexes and describes several uses for biomarkers in MCM drug development studies. Currently, MCMs are limited and there is no FDA-approved biomarker for any radiation injury. Sex as a variable is essential to identifying biomarkers and developing effective MCMs for acute radiation exposure (ARS) and delayed effects of acute radiation exposure (DEARE). These studies aim to address the death of information on sex differences that have not been determined by studies that included only male, single-sex cohorts. Studies have reported differences in radiosensitivity according to sex. As such, biomarker discovery for radiation-induced damage must consider sex as a variable. This study evaluated the plasma proteomic profile of Rhesus macaque non-human primates after different exposures and doses, as well as time points after radiation. Exposures and doses included total body irradiation between 5-7.5 Gy and partial body irradiation with 5% bone marrow sparing at 9, 9.5 and 10 Gy. Timepoints after irradiation included days 1, 3, 60, and 180, which encompassed both acute radiation syndromes and delayed effects of acute radiation exposure. Bottom-up proteomic analyses of plasma included equal numbers of males and females. In the control animals, few proteomic differences are observed between the sexes. In the irradiated animals, there are a few sex differences, with changes mostly consisting of proteins upregulated in the female animals. Multiple canonical pathways were upregulated in irradiated animals relative to the control animals when subjected to pathway analysis, but differential responses between the sexes are limited. These data provide critical baseline differences according to sex and establish sex differences in non-human primate models relevant to drug development of MCM under the FDA Animal Rule.

Keywords: ionizing radiation, sex differences, plasma proteomics, biomarker discovery

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1777 Nanoscale Photo-Orientation of Azo-Dyes in Glassy Environments Using Polarized Optical Near-Field

Authors: S. S. Kharintsev, E. A. Chernykh, S. K. Saikin, A. I. Fishman, S. G. Kazarian

Abstract:

Recent advances in improving information storage performance are inseparably linked with circumvention of fundamental constraints such as the supermagnetic limit in heat assisted magnetic recording, charge loss tolerance in solid-state memory and the Abbe’s diffraction limit in optical storage. A substantial breakthrough in the development of nonvolatile storage devices with dimensional scaling has been achieved due to phase-change chalcogenide memory, which nowadays, meets the market needs to the greatest advantage. A further progress is aimed at the development of versatile nonvolatile high-speed memory combining potentials of random access memory and archive storage. The well-established properties of light at the nanoscale empower us to use them for recording optical information with ultrahigh density scaled down to a single molecule, which is the size of a pit. Indeed, diffraction-limited optics is able to record as much information as ~1 Gb/in2. Nonlinear optical effects, for example, two-photon fluorescence recording, allows one to decrease the extent of the pit even more, which results in the recording density up to ~100 Gb/in2. Going beyond the diffraction limit, due to the sub-wavelength confinement of light, pushes the pit size down to a single chromophore, which is, on average, of ~1 nm in length. Thus, the memory capacity can be increased up to the theoretical limit of 1 Pb/in2. Moreover, the field confinement provides faster recording and readout operations due to the enhanced light-matter interaction. This, in turn, leads to the miniaturization of optical devices and the decrease of energy supply down to ~1 μW/cm². Intrinsic features of light such as multimode, mixed polarization and angular momentum in addition to the underlying optical and holographic tools for writing/reading, enriches the storage and encryption of optical information. In particular, the finite extent of the near-field penetration, falling into a range of 50-100 nm, gives the possibility to perform 3D volume (layer-to-layer) recording/readout of optical information. In this study, we demonstrate a comprehensive evidence of isotropic-to-homeotropic phase transition of the azobenzene-functionalized polymer thin film exposed to light and dc electric field using near-field optical microscopy and scanning capacitance microscopy. We unravel a near-field Raman dichroism of a sub-10 nm thick epoxy-based side-chain azo-polymer films with polarization-controlled tip-enhanced Raman scattering. In our study, orientation of azo-chromophores is controlled with a bias voltage gold tip rather than light polarization. Isotropic in-plane and homeotropic out-of-plane arrangement of azo-chromophores in glassy environment can be distinguished with transverse and longitudinal optical near-fields. We demonstrate that both phases are unambiguously visualized by 2D mapping their local dielectric properties with scanning capacity microscopy. The stability of the polar homeotropic phase is strongly sensitive to the thickness of the thin film. We make an analysis of α-transition of the azo-polymer by detecting a temperature-dependent phase jump of an AFM cantilever when passing through the glass temperature. Overall, we anticipate further improvements in optical storage performance, which approaches to a single molecule level.

Keywords: optical memory, azo-dye, near-field, tip-enhanced Raman scattering

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1776 Topology and Shape Optimization of Macpherson Control Arm under Fatigue Loading

Authors: Abolfazl Hosseinpour, Javad Marzbanrad

Abstract:

In this research, the topology and shape optimization of a Macpherson control arm has been accomplished to achieve lighter weight. Present automotive market demands low cost and light weight component to meet the need of fuel efficient and cost effective vehicle. This in turn gives the rise to more effective use of materials for automotive parts which can reduce the mass of vehicle. Since automotive components are under dynamic loads which cause fatigue damage, considering fatigue criteria seems to be essential in designing automotive components. At first, in order to create severe loading condition for control arm, some rough roads are generated through power spectral density. Then, the most critical loading conditions are obtained through multibody dynamics analysis of a full vehicle model. Then, the topology optimization is performed based on fatigue life criterion using HyperMesh software, which resulted to 50 percent mass reduction. In the next step a CAD model is created using CATIA software and shape optimization is performed to achieve accurate dimensions with less mass.

Keywords: topology optimization, shape optimization, fatigue life, MacPherson control arm

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1775 Wave Propagation In Functionally Graded Lattice Structures Under Impact Loads

Authors: Mahmood Heshmati, Farhang Daneshmand

Abstract:

Material scientists and engineers have introduced novel materials with complex geometries due to the recent technological advances and promotion of manufacturing methods. Among them, lattice structures with graded architectures denoted by functionally graded porous materials (FGPMs) have been developed to optimize the structural response. FGPMs are achieved by tailoring the size and density of the internal pores in one or more directions that lead to the desired mechanical properties and structural responses. Also, FGPMs provide more flexible transition and the possibility of designing and fabricating structural elements with complex and variable properties. In this paper, wave propagation in lattice structures with functionally graded (FG) porosity is investigated in order to examine the ability of shock absorbing effect. The behavior of FG porous beams with different porosity distributions under impact load and the effects of porosity distribution and porosity content on the wave speed are studied. Important conclusions are made, along with a discussion of the future scope of studies on FGPMs structures.

Keywords: functionally graded, porous materials, wave propagation, impact load, finite element

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1774 Materials and Techniques of Anonymous Egyptian Polychrome Cartonnage Mummy Mask: A Multiple Analytical Study

Authors: Hanaa A. Al-Gaoudi, Hassan Ebeid

Abstract:

The research investigates the materials and processes used in the manufacturing of an Egyptian polychrome cartonnage mummy mask with the aim of dating this object and establishing trade patterns of certain materials that were used and available at the time of ancient Egypt. This anonymous-source object was held in the basement storage of the Egyptian Museum in Cairo (EMC) and has never been on display. Furthermore, there is no information available regarding its owner, provenance, date, and even the time of its possession by the museum. Moreover, the object is in a very poor condition where almost two-thirds of the mask was bent and has never received any previous conservation treatment. This research has utilized well-established multi-analytical methods to identify the considerable diversity of materials that have been used in the manufacturing of this object. These methods include Computed Tomography Scan (CT scan) to acquire detailed pictures of the inside physical structure and condition of the bended layers. Dino-Lite portable digital microscope, scanning electron microscopy with energy dispersive X-ray spectrometer (SEM-EDX), and the non-invasive imaging technique of multispectral imaging (MSI) to obtain information about the physical characteristics and condition of the painted layers and to examine the microstructure of the materials. Portable XRF Spectrometer (PXRF) and X-Ray powder diffraction (XRD) to identify mineral phases and the bulk element composition in the gilded layer, ground, and pigments; Fourier-transform infrared (FTIR) to identify organic compounds and their molecular characterization; accelerator mass spectrometry (AMS 14C) to date the object. Preliminary results suggest that there are no human remains inside the object, and the textile support is linen fibres with tabby weave 1/1 and these fibres are in a very bad condition. Several pigments have been identified, such as Egyptian blue, Magnetite, Egyptian green frit, Hematite, Calcite, and Cinnabar; moreover, the gilded layers are pure gold and the binding media in the pigments is Arabic gum and animal glue in the textile support layer.

Keywords: analytical methods, Egyptian museum, mummy mask, pigments, textile

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1773 Reconsidering Taylor’s Law with Chaotic Population Dynamical Systems

Authors: Yuzuru Mitsui, Takashi Ikegami

Abstract:

The exponents of Taylor’s law in deterministic chaotic systems are computed, and their meanings are intensively discussed. Taylor’s law is the scaling relationship between the mean and variance (in both space and time) of population abundance, and this law is known to hold in a variety of ecological time series. The exponents found in the temporal Taylor’s law are different from those of the spatial Taylor’s law. The temporal Taylor’s law is calculated on the time series from the same locations (or the same initial states) of different temporal phases. However, with the spatial Taylor’s law, the mean and variance are calculated from the same temporal phase sampled from different places. Most previous studies were done with stochastic models, but we computed the temporal and spatial Taylor’s law in deterministic systems. The temporal Taylor’s law evaluated using the same initial state, and the spatial Taylor’s law was evaluated using the ensemble average and variance. There were two main discoveries from this work. First, it is often stated that deterministic systems tend to have the value two for Taylor’s exponent. However, most of the calculated exponents here were not two. Second, we investigated the relationships between chaotic features measured by the Lyapunov exponent, the correlation dimension, and other indexes with Taylor’s exponents. No strong correlations were found; however, there is some relationship in the same model, but with different parameter values, and we will discuss the meaning of those results at the end of this paper.

Keywords: chaos, density effect, population dynamics, Taylor’s law

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1772 Equivalent Electrical Model of a Shielded Pulse Planar Transformer in Isolated Gate Drivers for SiC MOSFETs

Authors: Loreine Makki, Marc Anthony Mannah, Christophe Batard, Nicolas Ginot, Julien Weckbrodt

Abstract:

Planar transformers are extensively utilized in high-frequency, high power density power electronic converters. The breakthrough of wide-bandgap technology compelled power electronic system miniaturization while inducing pivotal effects on system modeling and manufacturing within the power electronics industry. A significant consideration to simulate and model the unanticipated parasitic parameters emerges with the requirement to mitigate electromagnetic disturbances. This paper will present an equivalent circuit model of a shielded pulse planar transformer quantifying leakage inductance and resistance in addition to the interwinding capacitance of the primary and secondary windings. ANSYS Q3D Extractor was utilized to model and simulate the transformer, intending to study the immunity of the simulated equivalent model to high dv/dt occurrences. A convenient correlation between simulation and experimental results is presented.

Keywords: Planar transformers, wide-band gap, equivalent circuit model, shielded, ANSYS Q3D Extractor, dv/dt

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1771 Designing the Lesson Instructional Plans for Exploring the STEM Education and Creative Learning Processes to Students' Logical Thinking Abilities with Different Learning Outcomes in Chemistry Classes

Authors: Pajaree Naramitpanich, Natchanok Jansawang, Panwilai Chomchid

Abstract:

The aims of this are compared between the students’ logical thinking abilities of their learning for designing the 5-lesson instructional plans of the 2-instructional methods, namely; the STEM Education and the Creative Learning Process (CLP) for developing students’ logical thinking abilities that a sample consisted of 90 students from two chemistry classes of different learning outcomes in Wapi Phathum School with the cluster random sampling technique was used at the 11th grade level. To administer of their learning environments with the 45-experimenl student group by the STEM Education method and the 45-controlling student group by the Creative Learning Process. These learning different groups were obtained using the 5 instruments; the 5-lesson instructional plans of the STEM Education and the Creative Learning Process to enhance the logical thinking tests on Mineral issue were used. The efficiency of the Creative Learning Processes (CLP) Model and the STEM Education’s innovations of these each five instructional lesson plans based on criteria are higher than of 80/80 standard level with the IOC index from the expert educators. The averages mean scores of students’ learning achievement motives were assessed with the Pre and Post Techniques and Logical Thinking Ability Test (LTAT) and dependent t-test analysis were differentiated between the CLP and the STEM, significantly. Students’ perceptions of their chemistry classroom environment inventories with the MCI with the CLP and the STEM methods also were found, differently. Associations between students’ perceptions of their chemistry classroom learning environment inventories on the CLP Model and the STEM Education learning designs toward their logical thinking abilities toward chemistry, the predictive efficiency of R2 values indicate that 68% and 76% of the variances in students’ logical thinking abilities toward chemistry to their controlling and experimental chemistry classroom learning environmental groups with the MCI were correlated at .05 levels, significantly. Implementations of this result are showed the students’ learning by the CLP of the potential thinking life-changing roles in most their logical thinking abilities that it is revealed that the students perceive their abilities to be highly learning achievement in chemistry group are differentiated with the STEM education of students’ outcomes.

Keywords: design, the lesson instructional plans, the stem education, the creative learning process, logical thinking ability, different, learning outcome, student, chemistry class

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1770 Hydro-Meteorological Vulnerability and Planning in Urban Area: The Case of Yaoundé City in Cameroon

Authors: Ouabo Emmanuel Romaric, Amougou Armathe

Abstract:

Background and aim: The study of impacts of floods and landslides at a small scale, specifically in the urban areas of developing countries is done to provide tools and actors for a better management of risks in such areas, which are now being affected by climate change. The main objective of this study is to assess the hydrometeorological vulnerabilities associated with flooding and urban landslides to propose adaptation measures. Methods: Climatic data analyses were done by calculation of indices of climate change within 50 years (1960-2012). Analyses of field data to determine causes, the level of risk and its consequences on the area of study was carried out using SPSS 18 software. The cartographic analysis and GIS were used to refine the work in space. Then, spatial and terrain analyses were carried out to determine the morphology of field in relation with floods and landslide, and the diffusion on the field. Results: The interannual changes in precipitation has highlighted the surplus years (21), the deficit years (24) and normal years (7). Barakat method bring out evolution of precipitation by jerks and jumps. Floods and landslides are correlated to high precipitation during surplus and normal years. Data field analyses show that populations are conscious (78%) of the risks with 74% of them exposed, but their capacities of adaptation is very low (51%). Floods are the main risk. The soils are classed as feralitic (80%), hydromorphic (15%) and raw mineral (5%). Slope variation (5% to 15%) of small hills and deep valley with anarchic construction favor flood and landslide during heavy precipitation. Mismanagement of waste produce blocks free circulation of river and accentuate floods. Conclusion: Vulnerability of population to hydrometeorological risks in Yaoundé VI is the combination of variation of parameters like precipitation, temperature due to climate change, and the bad planning of construction in urban areas. Because of lack of channels for water to circulate due to saturation of soils, the increase of heavy precipitation and mismanagement of waste, the result are floods and landslides which causes many damages on goods and people.

Keywords: climate change, floods, hydrometeorological, vulnerability

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1769 Assessment of Susceptibility of the Poultry Red Mite, Dermanyssus gallinae (Acari: Dermanyssidae) to Some Plant Preparations with Focus on Exposure Time

Authors: Shahrokh Ranjbar-Bahadori, Nima Farhadifar, Leila Mohammadyar

Abstract:

Plant preparations from thyme and garlic have been shown to be effective acaricides against the poultry red mite, Dermanyssus gallinae. In a layer house with a history of D. gallinae problem, mites were detected in the monitoring traps for the first time and number of them was counted. Then, some rows of layer house was sprayed twice using a concentration of 0.21 mg/cm2 thyme essential oil and 0.07 mg/cm2 garlic juice and a similar row was used as an untreated control group. Red mite traps made of cardboard were used to assess the mite density during days 1 and 7 after treatment and always removed after 24 h. the collected mites were counted and the efficacy against all mite stages (larvae, nymphs and adults) was calculated. Results showed that on day 1 and 7 after the administration of garlic extract efficacy rate was 92.05% and 74.62%, respectively. Moreover, efficacy rate on day 1 and 7 was 89.4% and 95.37% when treatment was done with thyme essential oil. It is concluded that using garlic juice to control of D. gallinae is more effective on short time. But thyme essential oil has a long time effect in compare to garlic preparation.

Keywords: Dermanyssus gallinae, essential oil, garlic, thyme, efficacy

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1768 Building Green Infrastructure Networks Based on Cadastral Parcels Using Network Analysis

Authors: Gon Park

Abstract:

Seoul in South Korea established the 2030 Seoul City Master Plan that contains green-link projects to connect critical green areas within the city. However, the plan does not have detailed analyses for green infrastructure to incorporate land-cover information to many structural classes. This study maps green infrastructure networks of Seoul for complementing their green plans with identifying and raking green areas. Hubs and links of main elements of green infrastructure have been identified from incorporating cadastral data of 967,502 parcels to 135 of land use maps using geographic information system. Network analyses were used to rank hubs and links of a green infrastructure map with applying a force-directed algorithm, weighted values, and binary relationships that has metrics of density, distance, and centrality. The results indicate that network analyses using cadastral parcel data can be used as the framework to identify and rank hubs, links, and networks for the green infrastructure planning under a variable scenarios of green areas in cities.

Keywords: cadastral data, green Infrastructure, network analysis, parcel data

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1767 Properties of Adipose Tissue Derived Mesenchymal Stem Cells with Long-Term Cryopreservation

Authors: Jienny Lee, In-Soo Cho, Sang-Ho Cha

Abstract:

Adult mesenchymal stem cells (MSCs) have been investigated using preclinical approaches for tissue regeneration. Porcine MSCs (pMSCs) are capable of growing and attaching to plastic with a fibroblast-like morphology and then differentiating into bone, adipose, and cartilage tissues in vitro. This study was conducted to investigate the proliferating abilities, differentiation potentials, and multipotency of miniature pig adipose tissue-derived MSCs (mpAD-MSCs) with or without long-term cryopreservation, considering that cryostorage has the potential for use in clinical applications. After confirming the characteristics of the mpAD-MSCs, we examined the effect of long-term cryopreservation (> 2 years) on expression of cell surface markers (CD34, CD90 and CD105), proliferating abilities (cumulative population doubling level, doubling time, colony-forming unit, and MTT assay) and differentiation potentials into mesodermal cell lineages. As a result, the expression of cell surface markers is similar between thawed and fresh mpAD-MSCs. However, long-term cryopreservation significantly lowered the differentiation potentials (adipogenic, chondrogenic, and osteogenic) of mpAD-MSCs. When compared with fresh mpAD-MSCs, thawed mpAD-MSCs exhibited lower expression of mesodermal cell lineage-related genes such as peroxisome proliferator-activated receptor-g2, lipoprotein lipase, collagen Type II alpha 1, osteonectin, and osteocalcin. Interestingly, long-term cryostoraged mpAD-MSCs exhibited significantly higher cell viability than the fresh mpAD-MSCs. Long-term cryopreservation induced a 30% increase in the cell viability of mpAD-MSCs when compared with the fresh mpAD-MSCs at 5 days after thawing. However, long-term cryopreservation significantly lowered expression of stemness markers such as Oct3/4, Sox2, and Nanog. Furthermore, long-term cryopreservation negatively affected expression of senescence-associated genes such as telomerase reverse transcriptase and heat shock protein 90 of mpAD-MSCs when compared with the fresh mpAD-MSCs. The results from this study might be important for the successful application of MSCs in clinical trials after long-term cryopreservation.

Keywords: mesenchymal stem cells, cryopreservation, stemness, senescence

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1766 Laboratory Investigation of Expansive Soil Stabilized with Calcium Chloride

Authors: Magdi M. E. Zumrawi, Khalid A. Eltayeb

Abstract:

Chemical stabilization is a technique commonly used to improve the expansive soil properties. In this regard, an attempt has been made to evaluate the influence of Calcium Chloride (CaCl2) stabilizer on the engineering properties of expansive soil. A series of laboratory experiments including consistency limits, free swell, compaction, and shear strength tests were performed to investigate the effect of CaCl2 additive with various percentages 0%, 2%, 5%, 10% and 15% for improving expansive soil. The results obtained shows that the increase in the percentage of CaCl2 decreased the liquid limit and plasticity index leading to significant reduction in the free swell index. This, in turn, increased the maximum dry density and decreased the optimum moisture content which results in greater strength. The unconfined compressive strength of soil stabilized with 5% CaCl2 increased approximately by 50% as compared to virgin soil. It can be concluded that CaCl2 had shown promising influence on the strength and swelling properties of expansive soil, thereby giving an advantage in improving problematic expansive soil.

Keywords: calcium chloride, chemical stabilization, expansive soil, improving

Procedia PDF Downloads 334
1765 Formulation of Suppositories Using Allanblackia Floribunda Butter as a Base

Authors: Mary Konadu

Abstract:

The rectal route for drug administration is becoming attractive to drug formulators because it can avoid hepatic first-pass effects, decrease gastrointestinal side effects and avoid undesirable effects of meals on drug absorption. Suppositories have been recognized as an alternative to the oral route in situations such as when the patient is comatose, unable to swallow, or when the drug produces nausea or vomiting. Effective drug delivery with appropriate pharmaceutical excipient is key in the production of clinically useful preparations. The high cost of available excipients coupled with other disadvantages have led to the exploration of potential excipients from natural sources. Allanblackia floribunda butter, a naturally occurring lipid, is used for medicinal, culinary, and cosmetic purposes. Different extraction methods (solvent (hexane) extraction, traditional/hot water extraction, and cold/screw press extraction) were employed to extract the oil. The different extracts of A. floribunda oil were analyzed for their physicochemical properties and mineral content. The oil was used as a base to formulate Paracetamol and Diclofenac suppositories. Quality control test were carried out on the formulated suppositories. The %age oil yield for hexane extract, hot water extract, and cold press extract were 50.40 ±0.00, 37.36±0.00, and 20.48±0.00, respectively. The acid value, saponification value, iodine value and free fatty acid were 1.159 ± 0.065, 208.51 ± 8.450, 49.877 ± 0.690 and 0.583 ± 0.032 respectively for hexane extract; 3.480 ± 0.055, 204.672±2.863, 49.04 ± 0.76 and 1.747 ± 0.028 respectively for hot water/traditional extract; 4.43 ± 0.055, 192.05±1.56, 49.96 ± 0.29 and 2.23 ± 0.03 respectively for cold press extract. Calcium, sodium, magnesium, potassium, and iron were minerals found to be present in the A. floribunda butter extracts. The uniformity of weight, hardness, disintegration time, and uniformity of content were found to be within the acceptable range. The melting point ranges for all the suppositories were found to be satisfactory. The cumulative drug release (%) of the suppositories at 45 minutes was 90.19±0.00 (Hot water extract), 93.75±0.00 (Cold Pres Extract), and 98.16±0.00 (Hexane Extract) for Paracetamol suppositories. Diclofenac sodium suppositories had a cumulative %age release of 81.60±0.00 (Hot water Extract), 95.33±0.00 (Cold Press Extract), and 99.20±0.00 (Hexane Extract). The physicochemical parameters obtained from this study shows that Allanblackia floribunda seed oil is edible and can be used as a suppository base. The suppository formulation was successful, and the quality control tests conformed to Pharmacopoeia standard.

Keywords: allanblackia foribunda, paracetamol, diclofenac, suppositories

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1764 3D Structuring of Thin Film Solid State Batteries for High Power Demanding Applications

Authors: Alfonso Sepulveda, Brecht Put, Nouha Labyedh, Philippe M. Vereecken

Abstract:

High energy and power density are the main requirements of today’s high demanding applications in consumer electronics. Lithium ion batteries (LIB) have the highest energy density of all known systems and are thus the best choice for rechargeable micro-batteries. Liquid electrolyte LIBs present limitations in safety, size and design, thus thin film all-solid state batteries are predominantly considered to overcome these restrictions in small devices. Although planar all-solid state thin film LIBs are at present commercially available they have low capacity (<1mAh/cm2) which limits their application scenario. By using micro-or nanostructured surfaces (i.e. 3D batteries) and appropriate conformal coating technology (i.e. electrochemical deposition, ALD) the capacity can be increased while still keeping a high rate performance. The main challenges in the introduction of solid-state LIBs are low ionic conductance and limited cycle life time due to mechanical stress and shearing interfaces. Novel materials and innovative nanostructures have to be explored in order to overcome these limitations. Thin film 3D compatible materials need to provide with the necessary requirements for functional and viable thin-film stacks. Thin film electrodes offer shorter Li-diffusion paths and high gravimetric and volumetric energy densities which allow them to be used at ultra-fast charging rates while keeping their complete capacities. Thin film electrolytes with intrinsically high ion conductivity (~10-3 S.cm) do exist, but are not electrochemically stable. On the other hand, electronically insulating electrolytes with a large electrochemical window and good chemical stability are known, but typically have intrinsically low ionic conductivities (<10-6 S cm). In addition, there is the need for conformal deposition techniques which can offer pinhole-free coverage over large surface areas with large aspect ratio features for electrode, electrolyte and buffer layers. To tackle the scaling of electrodes and the conformal deposition requirements on future 3D batteries we study LiMn2O4 (LMO) and Li4Ti5O12 (LTO). These materials are among the most interesting electrode candidates for thin film batteries offering low cost, low toxicity, high voltage and high capacity. LMO and LTO are considered 3D compatible materials since they can be prepared through conformal deposition techniques. Here, we show the scaling effects on rate performance and cycle stability of thin film cathode layers of LMO created by RF-sputtering. Planar LMO thin films below 100 nm have been electrochemically characterized. The thinnest films show the highest volumetric capacity and the best cycling stability. The increased stability of the films below 50 nm allows cycling in both the 4 and 3V potential region, resulting in a high volumetric capacity of 1.2Ah/cm3. Also, the creation of LTO anode layers through a post-lithiation process of TiO2 is demonstrated here. Planar LTO thin films below 100 nm have been electrochemically characterized. A 70 nm film retains 85% of its original capacity after 100 (dis)charging cycles at 10C. These layers can be implemented into a high aspect ratio structures. IMEC develops high aspect Si pillars arrays which is the base for the advance of 3D thin film all-solid state batteries of future technologies.

Keywords: Li-ion rechargeable batteries, thin film, nanostructures, rate performance, 3D batteries, all-solid state

Procedia PDF Downloads 338
1763 Fabrication of Hollow Germanium Spheres by Dropping Method

Authors: Kunal D. Bhagat, Truong V. Vu, John C. Wells, Hideyuki Takakura, Yu Kawano, Fumio Ogawa

Abstract:

Hollow germanium alloy quasi-spheres of diameters 1 to 2 mm with a relatively smooth inner and outer surface have been produced. The germanium was first melted at around 1273 K and then exuded from a coaxial nozzle into an inert atmosphere by argon gas supplied to the inner nozzle. The falling spheres were cooled by water spray and collected in a bucket. The spheres had a horn type of structure on the outer surface, which might be caused by volume expansion induced by the density difference between solid and gas phase. The frequency of the sphere formation was determined from the videos to be about 133 Hz. The outer diameter varied in the range of 1.3 to 1.8 mm with a wall thickness in the range of 0.2 to 0.5 mm. Solid silicon spheres are used for spherical silicon solar cells (S₃CS), which have various attractive features. Hollow S₃CS promise substantially higher energy conversion efficiency if their wall thickness can be kept to 0.1–0.2 mm and the inner surface can be passivated. Our production of hollow germanium spheres is a significant step towards the production of hollow S₃CS with, we hope, higher efficiency and lower material cost than solid S₃CS.

Keywords: hollow spheres, semiconductor, compound jet, dropping method

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1762 Theoretical Studies on the Formation Constant, Geometry, Vibrational Frequencies and Electronic Properties Dinuclear Molybdenum Complexes

Authors: Mahboobeh Mohadeszadeh, Behzad Padidaran Moghaddam

Abstract:

In order to measuring dinuclear molybdenum complexes formation constant First,the reactants and the products were optimized separately and then, their frequencies were measured. In next level , with using Hartree-fock (HF) and density functional theory (DFT) methods ,Theoretical studies on the geometrical parameters, electronic properties and vibrational frequencies of dinuclear molybdenum complexes [C40H44Mo2N2O20] were investigated . These calculations were performed with the B3LYP, BPV86, B3PW91 and HF theoretical method using the LANL2DZ (for Mo’s) + 6-311G (for others) basis sets. To estimate the error rate between theoretical data and experimental data, RSquare , SError and RMS values that according with the theoretical and experimental parameters found out DFT methods has more integration with experimental data compare to HF methods. In addition, through electron specification of compounds, the percentage of atomic orbital’s attendance in making molecular orbital’s, atoms electrical charge, the sustainable energy resulting and also HOMO and LUMO orbital’s energy achieved.

Keywords: geometrical parameters, hydrogen bonding, electronic properties, vibrational frequencies

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