Search results for: density functional theory
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 10091

Search results for: density functional theory

9071 Density Determination of Liquid Niobium by Means of Ohmic Pulse-Heating for Critical Point Estimation

Authors: Matthias Leitner, Gernot Pottlacher

Abstract:

Experimental determination of critical point data like critical temperature, critical pressure, critical volume and critical compressibility of high-melting metals such as niobium is very rare due to the outstanding experimental difficulties in reaching the necessary extreme temperature and pressure regimes. Experimental techniques to achieve such extreme conditions could be diamond anvil devices, two stage gas guns or metal samples hit by explosively accelerated flyers. Electrical pulse-heating under increased pressures would be another choice. This technique heats thin wire samples of 0.5 mm diameter and 40 mm length from room temperature to melting and then further to the end of the stable phase, the spinodal line, within several microseconds. When crossing the spinodal line, the sample explodes and reaches the gaseous phase. In our laboratory, pulse-heating experiments can be performed under variation of the ambient pressure from 1 to 5000 bar and allow a direct determination of critical point data for low-melting, but not for high-melting metals. However, the critical point also can be estimated by extrapolating the liquid phase density according to theoretical models. A reasonable prerequisite for the extrapolation is the existence of data that cover as much as possible of the liquid phase and at the same time exhibit small uncertainties. Ohmic pulse-heating was therefore applied to determine thermal volume expansion, and from that density of niobium over the entire liquid phase. As a first step, experiments under ambient pressure were performed. The second step will be to perform experiments under high-pressure conditions. During the heating process, shadow images of the expanding sample wire were captured at a frame rate of 4 × 105 fps to monitor the radial expansion as a function of time. Simultaneously, the sample radiance was measured with a pyrometer operating at a mean effective wavelength of 652 nm. To increase the accuracy of temperature deduction, spectral emittance in the liquid phase is also taken into account. Due to the high heating rates of about 2 × 108 K/s, longitudinal expansion of the wire is inhibited which implies an increased radial expansion. As a consequence, measuring the temperature dependent radial expansion is sufficient to deduce density as a function of temperature. This is accomplished by evaluating the full widths at half maximum of the cup-shaped intensity profiles that are calculated from each shadow image of the expanding wire. Relating these diameters to the diameter obtained before the pulse-heating start, the temperature dependent volume expansion is calculated. With the help of the known room-temperature density, volume expansion is then converted into density data. The so-obtained liquid density behavior is compared to existing literature data and provides another independent source of experimental data. In this work, the newly determined off-critical liquid phase density was in a second step utilized as input data for the estimation of niobium’s critical point. The approach used, heuristically takes into account the crossover from mean field to Ising behavior, as well as the non-linearity of the phase diagram’s diameter.

Keywords: critical point data, density, liquid metals, niobium, ohmic pulse-heating, volume expansion

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9070 Decision Quality as an Antecedent to Export Performance. Empirical Evidence under a Contingency Theory Lens

Authors: Evagelos Korobilis-Magas, Adekunle Oke

Abstract:

The constantly increasing tendency towards a global economy and the subsequent increase in exporting, as a result, has inevitably led to a growing interest in the topic of export success as well. Numerous studies, particularly in the past three decades, have examined a plethora of determinants to export performance. However, to the authors' best knowledge, no study up to date has ever considered decision quality as a potential antecedent to export success by attempting to test the relationship between decision quality and export performance. This is a surprising deficiency given that the export marketing literature has long ago suggested that quality decisions are regarded as the crucial intervening variable between sound decision–making and export performance. This study integrates the different definitions of decision quality proposed in the literature and the key themes incorporated therein and adapts it to an export context. Apart from laying the conceptual foundations for the delineation of this elusive but very important construct, this study is the first ever to test the relationship between decision quality and export performance. Based on survey data from a sample of 189 British export decision-makers and within a contingency theory framework, the results reveal that there is a direct, positive link between decision quality and export performance. This finding opens significant future research avenues and has very important implications for both theory and practice.

Keywords: export performance, decision quality, mixed methods, contingency theory

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9069 Optimization of the Self-Recognition Direct Digital Radiology Technology by Applying the Density Detector Sensors

Authors: M. Dabirinezhad, M. Bayat Pour, A. Dabirinejad

Abstract:

In 2020, the technology was introduced to solve some of the deficiencies of direct digital radiology. SDDR is an invention that is capable of capturing dental images without human intervention, and it was invented by the authors of this paper. Adjusting the radiology wave dose is a part of the dentists, radiologists, and dental nurses’ tasks during the radiology photography process. In this paper, an improvement will be added to enable SDDR to set the suitable radiology wave dose according to the density and age of the patients automatically. The separate sensors will be included in the sensors’ package to use the ultrasonic wave to detect the density of the teeth and change the wave dose. It facilitates the process of dental photography in terms of time and enhances the accuracy of choosing the correct wave dose for each patient separately. Since the radiology waves are well known to trigger off other diseases such as cancer, choosing the most suitable wave dose can be helpful to decrease the side effect of that for human health. In other words, it decreases the exposure time for the patients. On the other hand, due to saving time, less energy will be consumed, and saving energy can be beneficial to decrease the environmental impact as well.

Keywords: dental direct digital imaging, environmental impacts, SDDR technology, wave dose

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9068 A Preliminary Study Examining the Effect of Tourism as Perceived by Locals: From Perspective of Conservative of Research Theory

Authors: Ali Ahmad AlGassim

Abstract:

The objective of this study is to explore the local community perceptions toward the impact of tourism from the COR theory perspective. The current study used qualitative methods and purposive sampling to engage informants. Data was collected using an online survey with closed-ended and open-ended questions from 57 informants living in Al-Jufa Village, and then data was analysed using content analysis. The findings showed that COR theory help explains the residents’ perception of the threat and stress of losing resources. The findings showed the residents feel stressed about losing resources, such as lands, houses, heritage, sociocultural and Islamic values, as well as job and investment opportunities if the village is developed for tourism. Findings also present that one group of residents declared rejections and aiming to resist the development if it takes place, and they will not allowing foreigners to come and live in the village. The findings also show that this stress and strain can be alleviated by allowing residents to participate in the development. Finally, the residents of Al-Juhfa showed a high level of feeling of ownership towards their resources.

Keywords: perception of threat, effect of tourism, COR theory, local community, impact of tourism, Saudi Arabia

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9067 Modeling of Anode Catalyst against CO in Fuel Cell Using Material Informatics

Authors: M. Khorshed Alam, H. Takaba

Abstract:

The catalytic properties of metal usually change by intermixturing with another metal in polymer electrolyte fuel cells. Pt-Ru alloy is one of the much-talked used alloy to enhance the CO oxidation. In this work, we have investigated the CO coverage on the Pt2Ru3 nanoparticle with different atomic conformation of Pt and Ru using a combination of material informatics with computational chemistry. Density functional theory (DFT) calculations used to describe the adsorption strength of CO and H with different conformation of Pt Ru ratio in the Pt2Ru3 slab surface. Then through the Monte Carlo (MC) simulations we examined the segregation behaviour of Pt as a function of surface atom ratio, subsurface atom ratio, particle size of the Pt2Ru3 nanoparticle. We have constructed a regression equation so as to reproduce the results of DFT only from the structural descriptors. Descriptors were selected for the regression equation; xa-b indicates the number of bonds between targeted atom a and neighboring atom b in the same layer (a,b = Pt or Ru). Terms of xa-H2 and xa-CO represent the number of atoms a binding H2 and CO molecules, respectively. xa-S is the number of atom a on the surface. xa-b- is the number of bonds between atom a and neighboring atom b located outside the layer. The surface segregation in the alloying nanoparticles is influenced by their component elements, composition, crystal lattice, shape, size, nature of the adsorbents and its pressure, temperature etc. Simulations were performed on different size (2.0 nm, 3.0 nm) of nanoparticle that were mixing of Pt and Ru atoms in different conformation considering of temperature range 333K. In addition to the Pt2Ru3 alloy we also considered pure Pt and Ru nanoparticle to make comparison of surface coverage by adsorbates (H2, CO). Hence, we assumed the pure and Pt-Ru alloy nanoparticles have an fcc crystal structures as well as a cubo-octahedron shape, which is bounded by (111) and (100) facets. Simulations were performed up to 50 million MC steps. From the results of MC, in the presence of gases (H2, CO), the surfaces are occupied by the gas molecules. In the equilibrium structure the coverage of H and CO as a function of the nature of surface atoms. In the initial structure, the Pt/Ru ratios on the surfaces for different cluster sizes were in range of 0.50 - 0.95. MC simulation was employed when the partial pressure of H2 (PH2) and CO (PCO) were 70 kPa and 100-500 ppm, respectively. The Pt/Ru ratios decrease as the increase in the CO concentration, without little exception only for small nanoparticle. The adsorption strength of CO on the Ru site is higher than the Pt site that would be one of the reason for decreasing the Pt/Ru ratio on the surface. Therefore, our study identifies that controlling the nanoparticle size, composition, conformation of alloying atoms, concentration and chemical potential of adsorbates have impact on the steadiness of nanoparticle alloys which ultimately and also overall catalytic performance during the operations.

Keywords: anode catalysts, fuel cells, material informatics, Monte Carlo

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9066 Comparing the Theory to the Practice of Islamic Banking: A Case Study of Pakistan

Authors: Zareen Khan

Abstract:

Islamic Banking has experienced high growth in Pakistan in recent years and has successfully survived the economic downturn of 2009-2011. Despite the increase in branch network and expansion of services, it is unclear if Islamic banks are truly following the theory and practical application of Shariah Law. This paper explores the theological basis of Islamic finance and examines the discrepancies between the theory and practice of Islamic banking using Pakistan as a case study. It discusses areas where Islamic banks lack proper Shariah compliance and analyzes the financial weaknesses of Islamic banks in terms of the services offered. Furthermore, the paper offers plausible explanations for the clientele of Islamic banks. The case study has three major findings. Firstly, most of the employees of Islamic banks come from conventional banking backgrounds and the banks have to invest in additional trainings to specialize employees in Islamic Banking. Secondly despite the efforts of State Bank of Pakistan, there is a lack of accounting and auditing standards tailored for Islamic Banking. Thirdly, majority of the clients of Islamic banks in Pakistan are accustomed to conventional banking causing the bankers to “speak the conventional banking language.” Combined, these three factors can create gaps in the practical application of Islamic finance in Islamic banks in Pakistan.

Keywords: islamic finance, comparing theory with practice, islamic banking, Pakistan

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9065 Estimating Destinations of Bus Passengers Using Smart Card Data

Authors: Hasik Lee, Seung-Young Kho

Abstract:

Nowadays, automatic fare collection (AFC) system is widely used in many countries. However, smart card data from many of cities does not contain alighting information which is necessary to build OD matrices. Therefore, in order to utilize smart card data, destinations of passengers should be estimated. In this paper, kernel density estimation was used to forecast probabilities of alighting stations of bus passengers and applied to smart card data in Seoul, Korea which contains boarding and alighting information. This method was also validated with actual data. In some cases, stochastic method was more accurate than deterministic method. Therefore, it is sufficiently accurate to be used to build OD matrices.

Keywords: destination estimation, Kernel density estimation, smart card data, validation

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9064 Optimizing Power in Sequential Circuits by Reducing Leakage Current Using Enhanced Multi Threshold CMOS

Authors: Patikineti Sreenivasulu, K. srinivasa Rao, A. Vinaya Babu

Abstract:

The demand for portability, performance and high functional integration density of digital devices leads to the scaling of complementary metal oxide semiconductor (CMOS) devices inevitable. The increase in power consumption, coupled with the increasing demand for portable/hand-held electronics, has made power consumption a dominant concern in the design of VLSI circuits today. MTCMOS technology provides low leakage and high performance operation by utilizing high speed, low Vt (LVT) transistors for logic cells and low leakage, high Vt (HVT) devices as sleep transistors. Sleep transistors disconnect logic cells from the supply and/or ground to reduce the leakage in the sleep mode. In this technology, energy consumption while doing the mode transition and minimum time required to turn ON the circuit upon receiving the wake up signal are issues to be considered because these can adversely impact the performance of VLSI circuit. In this paper we are introducing an enhancing method of MTCMOS technology to optimize the power in MTCMOS sequential circuits.

Keywords: power consumption, ultra-low power, leakage, sub threshold, MTCMOS

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9063 Evaluation of the Impact of Functional Communication Training on Behaviors of Concern for Students at a Non-Maintained Special School

Authors: Kate Duggan

Abstract:

Introduction: Functional Communication Training (FCT) is an approach which aims to reduce behaviours of concern by teaching more effective ways to communicate. It requires identification of the function of the behaviour of concern, through gathering information from key stakeholders and completing observations of the individual’s behaviour including antecedents to, and consequences of the behaviour. Appropriate communicative alternatives are then identified and taught to the individual using systematic instruction techniques. Behaviours of concern demonstrated by individuals with autism spectrum conditions (ASC) frequently have a communication function. When contributing to positive behavior support plans, speech and language therapists and other professionals working with individuals with ASC need to identify alternative communicative behaviours which are equally reinforcing as the existing behaviours of concern. Successful implementation of FCT is dependent on an effective ‘response match’. The new way of communicating must be equally as effective as the behaviour previously used and require the same amount or less effort from the individual. It must also be understood by the communication partners the individual encounters and be appropriate to their communicative contexts. Method: Four case studies within a non-maintained special school environment were described and analysed. A response match framework was used to identify the effectiveness of functional communication training delivered by the student’s speech and language therapist, teacher and learning support assistants. The success of systematic instruction techniques used to develop new communicative behaviours was evaluated using the CODES framework. Findings: Functional communication training can be used as part of a positive behaviour support approach for students within this setting. All case studies reviewed demonstrated ‘response success’, in that the desired response was gained from the new communicative behaviour. Barriers to the successful embedding of new communicative behaviours were encountered. In some instances, the new communicative behaviour could not be consistently understood across all communication partners which reduced ‘response recognisability’. There was also evidence of increased physical or cognitive difficulty in employing the new communicative behaviour which reduced the ‘response effectivity’. Successful use of ‘thinning schedules of reinforcement’, taught students to tolerate a delay to reinforcement once the new communication behaviour was learned.

Keywords: augmentative and alternative communication, autism spectrum conditions, behaviours of concern, functional communication training

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9062 Optical Diagnostics of Corona Discharge by Laser Interferometry

Authors: N. Bendimerad, M. Lemerini, A. Guen

Abstract:

In this work, we propose to determine the density of neutral particles of an electric discharge peak - Plan types performed in air at atmospheric pressure by applying a technique based on laser interferometry. The experimental methods used so far as the shadowgraph or stereoscopy, give rather qualitative results with regard to the determination of the neutral density. The neutral rotational temperature has been subject of several studies but direct measurements of kinetic temperature are rare. The aim of our work is to determine quantitatively and experimentally depopulation with a Mach-Zehnder type interferometer. This purely optical appearance of the discharge is important when looking to know the refractive index of any gas for any physicochemical applications.

Keywords: laser source, Mach-Zehnder interferometer, refractive index, corona discharge

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9061 A Voice Signal Encryption Scheme Based on Chaotic Theory

Authors: Hailang Yang

Abstract:

To ensure the confidentiality and integrity of speech signals in communication transmission, this paper proposes a voice signal encryption scheme based on chaotic theory. Firstly, the scheme utilizes chaotic mapping to generate a key stream and then employs the key stream to perform bitwise exclusive OR (XOR) operations for encrypting the speech signal. Additionally, the scheme utilizes a chaotic hash function to generate a Message Authentication Code (MAC), which is appended to the encrypted data to verify the integrity of the data. Subsequently, we analyze the security performance and encryption efficiency of the scheme, comparing and optimizing it against existing solutions. Finally, experimental results demonstrate that the proposed scheme can resist common attacks, achieving high-quality encryption and speed.

Keywords: chaotic theory, XOR encryption, chaotic hash function, Message Authentication Code (MAC)

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9060 Functional Vision of Older People in Galician Nursing Homes

Authors: C. Vázquez, L. M. Gigirey, C. P. del Oro, S. Seoane

Abstract:

Early detection of visual problems plays a key role in the aging process. However, although vision problems are common among older people, the percentage of aging people who perform regular optometric exams is low. In fact, uncorrected refractive errors are one of the main causes of visual impairment in this group of the population. Purpose: To evaluate functional vision of older residents in order to show the urgent need of visual screening programs in Galician nursing homes. Methodology: We examined 364 older adults aged 65 years and over. To measure vision of the daily living, we tested distance and near presenting visual acuity (binocular visual acuity with habitual correction if warn, directional E-Snellen) Presenting near vision was tested at the usual working distance. We defined visual impairment (distance and near) as a presenting visual acuity less than 0.3. Exclusion criteria included immobilized residents unable to reach the USC Dual Sensory Loss Unit for visual screening. Association between categorical variables was performed using chi-square tests. We used Pearson and Spearman correlation tests and the variance analysis to determine differences between groups of interest. Results: 23,1% of participants have visual impairment for distance vision and 16,4% for near vision. The percentage of residents with far and near visual impairment reaches 8,2%. As expected, prevalence of visual impairment increases with age. No differences exist with regard to the level of functional vision between gender. Differences exist between age group respect to distance vision, but not in case of near vision. Conclusion: prevalence of visual impairment is high among the older people tested in this pilot study. This means a high percentage of older people with limitations in their daily life activities. It is necessary to develop an effective vision screening program for early detection of vision problems in Galician nursing homes.

Keywords: functional vision, elders, aging, nursing homes

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9059 Optical and Double Folding Analysis for 6Li+16O Elastic Scattering

Authors: Abd Elrahman Elgamala, N. Darwish, I. Bondouk, Sh. Hamada

Abstract:

Available experimental angular distributions for 6Li elastically scattered from 16O nucleus in the energy range 13.0–50.0 MeV are investigated and reanalyzed using optical model of the conventional phenomenological potential and also using double folding optical model of different interaction models: DDM3Y1, CDM3Y1, CDM3Y2, and CDM3Y3. All the involved models of interaction are of M3Y Paris except DDM3Y1 which is of M3Y Reid and the main difference between them lies in the different values for the parameters of the incorporated density distribution function F(ρ). We have extracted the renormalization factor NR for 6Li+16O nuclear system in the energy range 13.0–50.0 MeV using the aforementioned interaction models.

Keywords: elastic scattering, optical model, folding potential, density distribution

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9058 Effect of Fire Retardant Painting Product on Smoke Optical Density of Burning Natural Wood Samples

Authors: Abdullah N. Olimat, Ahmad S. Awad, Faisal M. AL-Ghathian

Abstract:

Natural wood is used in many applications in Jordan such as furniture, partitions constructions, and cupboards. Experimental work for smoke produced by the combustion of certain wood samples was studied. Smoke generated from burning of natural wood, is considered as a major cause of death in furniture fires. The critical parameter for life safety in fires is the available time for escape, so the visual obscuration due to smoke release during fire is taken into consideration. The effect of smoke, produced by burning of wood, depends on the amount of smoke released in case of fire. The amount of smoke production, apparently, affects the time available for the occupants to escape. To achieve the protection of life of building occupants during fire growth, fire retardant painting products are tested. The tested samples of natural wood include Beech, Ash, Beech Pine, and white Beech Pine. A smoke density chamber manufactured by fire testing technology has been used to perform measurement of smoke properties. The procedure of test was carried out according to the ISO-5659. A nonflammable vertical radiant heat flux of 25 kW/m2 is exposed to the wood samples in a horizontal orientation. The main objective of the current study is to carry out the experimental tests for samples of natural woods to evaluate the capability to escape in case of fire and the fire safety requirements. Specific optical density, transmittance, thermal conductivity, and mass loss are main measured parameters. Also, comparisons between samples with paint and with no paint are carried out between the selected samples of woods.

Keywords: extinction coefficient, optical density, transmittance, visibility

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9057 Effect of Normal Deformation on the Stability of Sandwich Beams Simply Supported Using a Refined Four-Variable Beam Theory

Authors: R. Bennai, M. Nebab, H. Ait Atmane, B. Ayache, H. Fourn

Abstract:

In this work, a study of the stability of a functionally graduated sandwiches beam using a refined theory of hyperbolic shear deformation of a beam was developed. The effects of transverse shear strains and the transverse normal deformation are considered. The constituent materials of the beam are supposed gradually variable depending on the height direction based on a simple power distribution law in terms of the volume fractions of the constituents; the two materials with which we worked are metals and ceramics. In order to examine the present model, illustrative examples are presented to show the effects of changes in different parameters such as the material graduation, the stretching effect of the thickness and thickness ratio –length on the buckling of FGM sandwich beams.

Keywords: FGM materials, refined shear deformation theory, stretching effect, buckling, boundary conditions

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9056 Ultrasonic Densitometry of Alveolar Bone Jaw during Retention Period of Orthodontic Treatment

Authors: Margarita A. Belousova, Sergey N. Ermoliev, Nina K. Loginova

Abstract:

The method of intraoral ultrasound densitometry developed to diagnose mineral density of alveolar bone jaws during retention period of orthodontic treatment (Patent of Russian Federation № 2541038). It was revealed significant decrease of the ultrasonic wave speed and bone mineral density in patients with relapses dentition anomalies during retention period of orthodontic treatment.

Keywords: intraoral ultrasonic densitometry, speed of sound, alveolar jaw bone, relapses of dentition anomalies, retention period of orthodontic treatment

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9055 Characterization of 3D-MRP for Analyzing of Brain Balancing Index (BBI) Pattern

Authors: N. Fuad, M. N. Taib, R. Jailani, M. E. Marwan

Abstract:

This paper discusses on power spectral density (PSD) characteristics which are extracted from three-dimensional (3D) electroencephalogram (EEG) models. The EEG signal recording was conducted on 150 healthy subjects. Development of 3D EEG models involves pre-processing of raw EEG signals and construction of spectrogram images. Then, the values of maximum PSD were extracted as features from the model. These features are analysed using mean relative power (MRP) and different mean relative power (DMRP) technique to observe the pattern among different brain balancing indexes. The results showed that by implementing these techniques, the pattern of brain balancing indexes can be clearly observed. Some patterns are indicates between index 1 to index 5 for left frontal (LF) and right frontal (RF).

Keywords: power spectral density, 3D EEG model, brain balancing, mean relative power, different mean relative power

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9054 Rule-Based Mamdani Type Fuzzy Modeling of Performances of Anode Side of Proton Exchange Membrane Fuel Cell Spin-Coated with Yttria-Stabilized Zirconia

Authors: Sadık Ata, Kevser Dincer

Abstract:

In this study, performance of proton exchange membrane (PEM) fuel cell was experimentally investigated and modelled with Rule-Based Mamdani-Type Fuzzy (RBMTF) modelling technique. Coating on the anode side of the PEM fuel cell was accomplished with the spin method by using Yttria-stabilized zirconia (YSZ). Input parameters voltage density (V/cm2), and current density (A/cm2), temperature (°C), time (s); output parameter power density (W/cm2) were described by RBMTF if-then rules. Numerical parameters of input and output variables were fuzzificated as linguistic variables: Very Very Low (L1), Very Low (L2), Low (L3), Negative Medium (L4), Medium (L5), Positive Medium (L6), High (L7), Very High (L8) and Very Very High (L9) linguistic classes. The comparison between experimental data and RBMTF is done by using statistical methods like absolute fraction of variance (R2). The actual values and RBMTF results indicated that RBMTF can be successfully used for the analysis of performance of PEM fuel cell.

Keywords: proton exchange membrane (PEM), fuel cell, rule-based Mamdani-type fuzzy (RMBTF) modeling, yttria-stabilized zirconia (YSZ)

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9053 Association of Serum Uric Acid Level and Bone Mineral Density of Menopausal Women

Authors: Soyeon Kang, Youn-Jee Chung, Jung Namkung

Abstract:

Objective: This retrospective study investigated the association between uric acid level and bone mineral density (BMD) in the postmenopausal period. Methods: The study included 328 menopausal women (mean age, 57.3 ± 6.5 years; mean serum uric acid level, 4.6 ± 1.0 mg/dL). Patients were divided into three groups by tertile of serum uric acid level. Patients who used hormone treatment (HT), bisphosphonates, or lipid-lowering agents were included. Results: Blood urea nitrogen, serum creatinine, and serum triglyceride levels were significantly higher in the upper uric acid tertiles. No significant difference was found in the mean uric acid levels between medication users and non-users. Distinct HT regimens showed different mean serum uric acid levels. In a cross-sectional analysis, higher serum uric acid levels showed a tendency toward increased BMD in the spine and femoral neck. Longitudinal analysis of 186 women who underwent follow-up examination at a mean interval of 14.6 months revealed a trend toward a smaller reduction in femoral neck BMD in women in the upper serum uric acid tertiles. Conclusion: A positive correlation exists between serum uric acid levels and BMD in menopausal women.

Keywords: menopause, antioxidant, uric acid, bone mineral density

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9052 A Supramolecular Cocrystal of 2-Amino-4-Chloro-6-Methylpyrimidine with 4-Methylbenzoic Acid: Synthesis, Structural Determinations and Quantum Chemical Investigations

Authors: Nuridayanti Che Khalib, Kaliyaperumal Thanigaimani, Suhana Arshad, Ibrahim Abdul Razak

Abstract:

The 1:1 co-crystal of 2-amino-4-chloro-6-methylpyrimidine (2A4C6MP) with 4-methylbenzoic acid (4MBA) (I) has been prepared by slow evaporation method in methanol, which was crystallized in monoclinic C2/c space group, Z = 8, a = 28.431 (2) Å, b = 7.3098 (5) Å, c = 14.2622 (10) Å, and β = 109.618 (3)°. The presence of unionized –COOH functional group in co-crystal I was identified both by spectral methods (1H and 13C NMR, FTIR) and X-ray diffraction structural analysis. The 2A4C6MP molecule interact with the carboxylic group of the respective 4MBA molecule through N—H⋯O and O—H⋯N hydrogen bonds, forming a cyclic hydrogen –bonded motif R22(8). The crystal structure was stabilized by Npyrimidine-H⋯O=C and C=O-H⋯Npyrimidine types hydrogen bonding interactions. Theoretical investigations have been computed by HF and density function (B3LYP) method with 6-311+G(d,p) basis set. The vibrational frequencies together with 1H and 13C NMR chemical shifts have been calculated on the fully optimized geometry of co-crystal I. Theoretical calculations are in good agreement with the experimental results. Solvent-free formation of this co-crystal I is confirmed by powder X-ray diffraction analysis.

Keywords: supramolecular co-crystal, 2-amino-4-chloro-6-methylpyrimidine, Harthree-Fock and DFT studies, spectroscopic analysis

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9051 Novel Ferroelectric Properties as Studied by Boson Mean Field Laser Radiation Induced from a Beer Bottle

Authors: Tadeus Atraskevic, Asch Dalbajobas, Mazahistas Pukuotukas

Abstract:

The novel ferroelectric properties appeared in the recent ten years. Many scientists consider them as non-statement science. Nevertheless, many papers are published. The Mean field theory takes an important place in the theory of ferroelectric materials which can be applied for Boson induced laser systems for ‘Star Track’ soldiers. The novel Laser, which was produced in The Vilnius Bambalio University is a ‘now-how’ among other laser systems. The laser can produce power of 30 kW during 15 seconds. Its size and compatibility distinguishes it among other devices and safety gadgets. Scientists of Bambalio University have already patented the device. The most interesting in this innovations is the process of operation. Merely it may be operated through a bottle a beer what makes the measurement so convenient, that an ordinary scientist can process all stuff without significant effort just by taking pleasure by drinking a bottle of beer. Here we would like to report on the laser system and present our unique developments.

Keywords: laser, boson, ferroelectrics, mean field theory

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9050 Affective Approach to Selected Ingmar Bergman Films

Authors: Grzegorz Zinkiewicz

Abstract:

The paper explores affective potential implicit in Bergman’s movies. This is done by the use of affect theory and the concept of affect in terms of paradigmatic and syntagmatic relations, from both diachronic and synchronic perspective. Since its inception in the early 2000s, affect theory has been applied to a number of academic fields. In Film Studies, it offers new avenues for discovering deeper, hidden layers of a given film. The aim is to show that the form and content of the films by Ingmar Bergman are determined by their inner affects that function independently of the viewer and, to an extent, are autonomous entities that can be analysed in separation from the auteur and actual characters. The paper discovers layers in Ingmar Bergman films and focuses on aspects that are often marginalised or studied from other viewpoints such as the connection between the content and visual side. As a result, a revaluation of Bergman films is possible that is more consistent with his original interpretations and comments included in his lectures, interviews and autobiography.

Keywords: affect theory, experimental cinema, Ingmar Bergman, viewer response

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9049 Corporate Voluntary Greenhouse Gas Emission Reporting in United Kingdom: Insights from Institutional and Upper Echelons Theories

Authors: Lyton Chithambo

Abstract:

This paper reports the results of an investigation into the extent to which various stakeholder pressures influence voluntary disclosure of greenhouse-gas (GHG) emissions in the United Kingdom (UK). The study, which is grounded on institutional theory, also borrows from the insights of upper echelons theory and examines whether specific managerial (chief executive officer) characteristics explain and moderates various stakeholder pressures in explaining GHG voluntary disclosure. Data were obtained from the 2011 annual and sustainability reports of a sample of 216 UK companies on the FTSE350 index listed on the London Stock Exchange. Generally the results suggest that there is no substantial shareholder and employee pressure on a firm to disclose GHG information but there is significant positive pressure from the market status of a firm with those firms with more market share disclosing more GHG information. Consistent with the predictions of institutional theory, we found evidence that coercive pressure i.e. regulatory pressure and mimetic pressures emanating in some industries notably industrials and consumer services have a significant positive influence on firms’ GHG disclosure decisions. Besides, creditor pressure also had a significant negative relationship with GHG disclosure. While CEO age had a direct negative effect on GHG voluntary disclosure, its moderation effect on stakeholder pressure influence on GHG disclosure was only significant on regulatory pressure. The results have important implications for both policy makers and company boards strategizing to reign in their GHG emissions.

Keywords: greenhouse gases, voluntary disclosure, upper echelons theory, institution theory

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9048 Improvement of Mechanical Properties of Recycled High-Density and Low-Density Polyethylene Blends through Extrusion, Reinforcement, and Compatibilization Approaches

Authors: H. Kharmoudi, S. Elkoun, M. Robert, C. Diez

Abstract:

In the literature, the elaboration of polymer blends based on recycled HDPE and LDPE is challenging because of the non-miscibility. Ensuring the compatibility of blends is one of the challenges; this study will discuss the different methods to be adopted to assess the compatibility of polymer blends. The first one aims to act on the extrusion process while varying the speed, flow rate, and residence time. The second method has as its purpose the use of grafted anhydride maleic elastomer chains as a compatibilizer. The results of the formulations will be characterized by means of differential scanning calorimetric (DSC) as well as mechanical tensile and bending tests to assess whether pipes made from recycled polyethylene meet the standards.

Keywords: recycled HDPE, LDPE, compatibilizer, mechanical tests

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9047 Kinetics and Adsorption Studies of Tetracycline from Aqueous Solution Using Melon Husk

Authors: Ungwanen John Ahile, Sylvester Obaike Adejo, Simon Terver Ubwa, Raymond Lubem Tyohemba, Pius Utange, Mnena G. Ikyagh

Abstract:

The adsorption of tetracycline from aqueous solution was carried out using melon husk as a low-cost adsorbent. The adsorption was characterized using standard methods and values obtained were; pH = 7.80, bulk density = 0.43 g/mL, ash content = 2.2 %, moisture content = 8.27 %, attrition = 1%, and iodine number = 552 mg/g. Adsorption capacity was found to vary with initial concentration, adsorbent dosage, pH, contact time and temperature, the maximum adsorption capacity in each case was found to be at; 30 mg/L for concentration, 0.8 g for adsorbent dose, 5 for pH, 60 minutes for time and 30 °C for temperature. FTIR analysis was done to analyses the surface functional groups which shows the presence of O-H stretch, at 3743.92 corresponding to alcohol, phenols, C-H stretch at 2923.27 indicative of alkanes, H-C=O: C-H stretch at 2725.76 corresponding to aldehyde, C-C stretch at 1462.72 corresponding to aromatic, SEM analysis carried out revealed a rough and smooth morphology of the uncontacted and contacted adsorbent respectively. The experimental data judging from the R2 values fitted best into the Temkin isotherm. The fitting of tetracycline adsorption into the pseudo second order kinetic model (R2 of 0.9992) is suggestive of chemisorption for the adsorbent.

Keywords: adsorption, adsorbent isotherm, antibiotics, tertracycline

Procedia PDF Downloads 251
9046 Identifying and Analyzing the Role of Brand Loyalty towards Incumbent Smartphones in New Branded Smartphone Adoption: Approach by Dual Process Theory

Authors: Lee Woong-Kyu

Abstract:

Fierce competition in smartphone market may encourage users to switch brands when buying a new smartphone. However, many smartphone users continue to use the same brand although other branded smartphones are perceived to be more attractive. The purpose of this study is to identify and analyze the effects of brand loyalty toward incumbent smartphone on new smartphone adoption. For this purpose, a research model including two hypotheses, the positive effect on rational judgments and the negative effect on rational judgments, are proposed based on the dual process theory. For the validation of the research model, the data was collected by surveying Korean university students and tested by the group comparison between high and low brand loyalty. The results show that the two hypotheses were statistically supported.

Keywords: brand loyalty, dual process theory, incumbent smartphone, smartphone adoption

Procedia PDF Downloads 282
9045 New Results on Exponential Stability of Hybrid Systems

Authors: Grienggrai Rajchakit

Abstract:

This paper is concerned with the exponential stability of switched linear systems with interval time-varying delays. The time delay is any continuous function belonging to a given interval, in which the lower bound of delay is not restricted to zero. By constructing a suitable augmented Lyapunov-Krasovskii functional combined with Leibniz-Newton's formula, a switching rule for the exponential stability of switched linear systems with interval time-varying delays and new delay-dependent sufficient conditions for the exponential stability of the systems are first established in terms of LMIs. Finally, some examples are exploited to illustrate the effectiveness of the proposed schemes.

Keywords: exponential stability, hybrid systems, time-varying delays, lyapunov-krasovskii functional, leibniz-newton's formula

Procedia PDF Downloads 536
9044 Effect of Tool Geometry and Welding Parameters on Macrostructure and Weld Strength in Friction Stir Welded of High Density Polyethylene Sheets

Authors: Mustafa Kemal Bilici, Memduh Kurtulmuş, İlyas Kartal, Ahmet İrfan Yükler

Abstract:

Friction stir welding is a solid-state joining process that has gained acceptable progress in recent years. This method which was first used for welding of aluminum and its alloys is now employed for welding of other materials such as polymers and composites. The aim of the present work is to investigate the mechanical properties of butt joints produced by friction stir welding (FSW) in high density polyethylene sheets of 4 mm thickness. The effects of critical welding parameters and tool design have affected on mechanical properties, weld surface and macrostructure of friction stir welded polyethylene. Experiments were performed at tool rotational speeds of 600, 900, 1200 and 1500 r/min and traverse speeds of 30, 45 and 60 mm/min, tool diameters (d) of 4, 5, 6 mm and tool shoulder diameters (D) 20, 25, 30 mm. A strength value of 80 % of the base material was achieved at the isolated optimum welding condition. According to the tool design, the welding parameters and the mechanical properties changed to a great extent. The highest tensile strength was achieved at low feed rates, high tool rotation speeds and shoulder diameters/pin diameters ratio.

Keywords: friction stir welding, mechanical properties, polyethylene, high density polyethylene, tool design

Procedia PDF Downloads 383
9043 Predicting Stem Borer Density in Maize Using RapidEye Data and Generalized Linear Models

Authors: Elfatih M. Abdel-Rahman, Tobias Landmann, Richard Kyalo, George Ong’amo, Bruno Le Ru

Abstract:

Maize (Zea mays L.) is a major staple food crop in Africa, particularly in the eastern region of the continent. The maize growing area in Africa spans over 25 million ha and 84% of rural households in Africa cultivate maize mainly as a means to generate food and income. Average maize yields in Sub Saharan Africa are 1.4 t/ha as compared to global average of 2.5–3.9 t/ha due to biotic and abiotic constraints. Amongst the biotic production constraints in Africa, stem borers are the most injurious. In East Africa, yield losses due to stem borers are currently estimated between 12% to 40% of the total production. The objective of the present study was therefore to predict stem borer larvae density in maize fields using RapidEye reflectance data and generalized linear models (GLMs). RapidEye images were captured for a test site in Kenya (Machakos) in January and in February 2015. Stem borer larva numbers were modeled using GLMs assuming Poisson (Po) and negative binomial (NB) distributions with error with log arithmetic link. Root mean square error (RMSE) and ratio prediction to deviation (RPD) statistics were employed to assess the models performance using a leave one-out cross-validation approach. Results showed that NB models outperformed Po ones in all study sites. RMSE and RPD ranged between 0.95 and 2.70, and between 2.39 and 6.81, respectively. Overall, all models performed similar when used the January and the February image data. We conclude that reflectance data from RapidEye data can be used to estimate stem borer larvae density. The developed models could to improve decision making regarding controlling maize stem borers using various integrated pest management (IPM) protocols.

Keywords: maize, stem borers, density, RapidEye, GLM

Procedia PDF Downloads 486
9042 Intervention of Threat and Surveillance on the Obedience of Preschool Children

Authors: Sarah Mhae Diaz, Erika Anna De Leon, Jacklin Alwil Cartagena, Geordan Caruncong, Micah Riezl Gonzales

Abstract:

This study examined the intervention of threat and surveillance on the obedience of 100 preschool children through a task variable experiment replicated from the previous studies of Higbee (1979), and Chua, J., Chua, M., & Pico (1983). Nowadays, obedience among Filipino children to authority is disregarded since they are more outspoken and rebel due to social influences. With this, aside from corporal punishment, threat and surveillance became a mean of inducing obedience. Threat, according to the Dissonance Theory, can give attitudinal change. On the other hand, surveillance, according to the Theory of Social Facilitation, can either contribute to the completion or failure to do a task. Through a 2x2 factorial design, results show; (1) threat (F(1,96) = 12.487, p < 0.05) and (2) surveillance (F(1,96)=9.942, p<.05) had a significant main effect on obedience, suggesting that the Dissonance Theory and Theory of Social Facilitation is respectively true in the study. On the other hand, (3) no interaction (F(1,96)=1.303, p > .05) was seen since threat and surveillance both have a main effect that could be positive or negative, or could be because of their complementary property as supported by the post-hoc results. Also, (4) most effective commanding style is threat and surveillance setting (M = 30.04, SD = 7.971) due to the significant main effect of the two variables. With this, in the Filipino Setting, threat and surveillance has proven to be a very effective strategy to discipline and induce obedience from a child.

Keywords: experimental study, obedience, preschool children, surveillance, threat

Procedia PDF Downloads 479