Search results for: double Schottky junctions

Authors: M. Hosseinnejad, K. Gharanjig

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In the present study, metal free organic dyes were prepared and used as photo-sensitizers in dye-sensitized solar cells. Double rhodanine was utilized as the fundamental electron acceptor group to which electron donor aldehyde with varying substituents was attached to produce new organic dye. This dye was first purified and then characterized by analytical techniques. Spectrophotometric evaluations of the prepared dye in solution and on a nano anatase TiO₂ substrate were carried out in order to assess possible changes in the status of the dyes in different environments. The results show that the dye form j-type aggregates on the nano TiO₂. Additionally, oxidation potential measurements were also carried out. Finally, dye sensitized solar cell based on synthesized dye was fabricated in order to determine the photovoltaic behavior and conversion efficiency of individual dye.

Keywords: conversion efficiency, dye-sensitized solar cell, photovoltaic behavior, sensitizer

Procedia PDF Downloads 183

Authors: Khaoula Hidouri, Ali Benhmidene, Bechir Chouachi

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The purification of brackish seawater becomes a necessity and not a choice against demographic and industrial growth especially in third world countries. Two models can be used in this work: simple solar still and simple solar still coupled with a heat pump. In this research, the productivity of water by Simple Solar Distiller (SSD) and Simple Solar Distiller Hybrid Heat Pump (SSDHP) was determined by the orientation, the use of heat pump, the simple or double glass cover. The productivity can exceed 1.2 L/m²h for the SSDHP and 0.5 L/m²h for SSD model. The result of the global efficiency is determined for two models SSD and SSDHP give respectively 30%, 50%. The internal efficiency attained 35% for SSD and 60% of the SSDHP models. Convective heat coefficient can be determined by attained 2.5 W/m²°C and 0.5 W/m²°C respectively for SSDHP and SSD models.

Keywords: productivity, efficiency, convective heat coefficient, SSD model, SSDHPmodel

Procedia PDF Downloads 213

Authors: Barun Chakrabarti, Dan Nir, Vladimir Yufit, P. V. Aravind, Nigel Brandon

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Fuel cell grade gas-diffusion layer carbon paper (CP) electrodes are subjected to electrophoresis in N,N’-dimethylformamide (DMF) consisting of reduced graphene oxide (rGO). The rGO modified electrodes are compared with CP in a single asymmetric all-vanadium redox battery system (employing a double serpentine flow channel for each half-cell). Peak power densities improved by 4% when the rGO deposits were facing the ion-exchange membrane (cell performance was poorer when the rGO was facing the flow field). Cycling of the cells showed least degradation of the CP electrodes that were coated with rGO in comparison to pristine samples.

Keywords: all-vanadium redox flow batteries, carbon paper electrodes, electrophoretic deposition, reduced graphene oxide

Procedia PDF Downloads 230

Authors: G. Traini, V. Giacometti, R. Mirabelli, V. Patera, D. Pinci, A. Sarti, A. Sciubba, M. Marafini

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The MONDO (MOnitor for Neutron Dose in hadrOntherapy) project aims a precise characterisation of the secondary fast and ultrafast neutrons produced in particle therapy treatments. The detector is composed of a matrix of scintillating fibres (250 um) readout by CMOS Digital-SPAD based sensors. Recoil protons from n-p elastic scattering are detected and used to track neutrons. A prototype was tested with proton beams (Trento Proton Therapy Centre): efficiency, light yield, and track-reconstruction capability were studied. The results of a MonteCarlo FLUKA simulation used to evaluated double scattering efficiency and expected backgrounds will be presented.

Keywords: secondary neutrons, particle therapy, tracking, elastic scattering

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Authors: Ibrahim Djelloul Berkane

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A survey was conducted to assess the presence of the virus in Citrus tristeza one of the main citrus regions of Algeria, namely the Chlef region, using the technique of Direct Tissue Print Immunoprinting Assay (DTBIA) and the Double Sandwich ELISA antibodies. A nursery citrus, lumber yards, and commercial orchards, which are the main varieties cultivated citrus were subjected to samples collected samples for laboratory analysis. 0.91% of the plants tested orchards were infected with CTV, while no positive case was detected at the nursery the yard, however, it is reported that an alarming rate of 10,5% of orchards tested at the common Chettia were infected with tristeza virus. The investigation was launched to identify the vector species tristeza revealed the presence of a vector is important Aphis gossypii.

Keywords: aphis, chlef, citrus, DAS-ELISA, DTBIA, tristeza

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Authors: Noury Bakrim

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Translatability is one of Walter Benjamin’s most influential notions, it is somehow representing the philosophy of language and history of what we might call and what we indeed coined as ‘the other German Speaking Modernity’ which could be shaped as a parallel thought form to the Marxian-Hegelian philosophy of history, the one represented by the school of Frankfurt. On the other hand, we should consider the influence of the plural German speaking identity and the Nietzschian and Goethean heritage, this last being focused on a positive will of power: the humanised human being. Having in perspective the benjaminian notion of translatability (Übersetzbarkeit), to be defined as an internal permanent hermeneutical possibility as well as a phenomenological potential of a translation relation, we are in fact touching this very double limit of both historical and linguistic reason. By life component, we mean the changing conditions of genetic and neurolinguistic post-partum functions, to be grasped as an individuation beyond the historical determinism and teleology of an event. It is, so to speak, the retrospective/introspective canettian auto-fiction, the benjaminian crystallization of the language experience in the now-time of writing/transmission. Furthermore, it raises various questioning points when it comes to translatability, they are basically related to psycholinguistic separate poles, the fatherly ladino Spanish and the motherly Vienna German, but relating more in particular to the permanent ontological quest of a world loss/belonging. Another level of this quest would be the status of Veza Canetti-Taubner Calderón, german speaking Author, Canetti’s ‘literary wife’, writer’s love, his inverted logos, protective and yet controversial ‘official private life partner’, the permanence of the jewish experience in the exiled german language. It sheds light on a traumatic relation of an inadequate/possible language facing the reconstruction of an oral life, the unconscious split of the signifier and above all on the frustrating status of writing in Canetti’s work : Using a suffering/suffered written German to save his remembered acquisition of his tongue/mother tongue by saving the vanishing spoken multilingual experience. While Canetti’s only novel ‘Die Blendung’ designates that fictional referential dynamics focusing on the nazi worldless horizon: the figure of Kien is an onomastic signifier, the anti-Canetti figure, the misunderstood legacy of Kant, the system without thought. Our postulate would be the double translatability of his auto-fiction inventing the bios oral signifier basing on the new praxemes created by Canetti’s german as observed in the English, French translations of his memory corpus. We aim at conceptualizing life component and translatability as two major features of a german speaking modernity.

Keywords: translatability, language biography, presentification, bioeme, life Order

Procedia PDF Downloads 427

Authors: Felipe M. de Freitas, Ícaro V. Soares, Lucas L. L. Fortes, Sandro T. M. Gonçalves, Úrsula D. C. Resende

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There is a dispersed energy in Radio Frequencies (RF) that can be reused to power electronics circuits such as: sensors, actuators, identification devices, among other systems, without wire connections or a battery supply requirement. In this context, there are different types of energy harvesting systems, including rectennas, coil systems, graphene and new materials. A secondary step of an energy harvesting system is the rectification of the collected signal which may be carried out, for example, by the combination of one or more Schottky diodes connected in series or shunt. In the case of a rectenna-based system, for instance, the diode used must be able to receive low power signals at ultra-high frequencies. Therefore, it is required low values of series resistance, junction capacitance and potential barrier voltage. Due to this low-power condition, voltage multiplier configurations are used such as voltage doublers or modified bridge converters. Lowpass filter (LPF) at the input, DC output filter, and a resistive load are also commonly used in the rectifier design. The electronic circuits projects are commonly analyzed through simulation in SPICE (Simulation Program with Integrated Circuit Emphasis) environment. Despite the remarkable potential of SPICE-based simulators for complex circuit modeling and analysis of quasi-static electromagnetic fields interaction, i.e., at low frequency, these simulators are limited and they cannot model properly applications of microwave hybrid circuits in which there are both, lumped elements as well as distributed elements. This work proposes, therefore, the electromagnetic modelling of electronic components in order to create models that satisfy the needs for simulations of circuits in ultra-high frequencies, with application in rectifiers coupled to antennas, as in energy harvesting systems, that is, in rectennas. For this purpose, the numerical method FDTD (Finite-Difference Time-Domain) is applied and SPICE computational tools are used for comparison. In the present work, initially the Ampere-Maxwell equation is applied to the equations of current density and electric field within the FDTD method and its circuital relation with the voltage drop in the modeled component for the case of lumped parameter using the FDTD (Lumped-Element Finite-Difference Time-Domain) proposed in for the passive components and the one proposed in for the diode. Next, a rectifier is built with the essential requirements for operating rectenna energy harvesting systems and the FDTD results are compared with experimental measurements.

Keywords: energy harvesting system, LE-FDTD, rectenna, rectifier, wireless power systems

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Authors: Abdol-Hassan Doulah

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In this research, some of the inorganic complexes of uranyl with N- donor ligands were synthesized. Complexes were characteriezed by FT-IR and UV spectra, ¹HNMR, ¹³CNMR and some physical properties. The uranyl unit (UO2) is composed of a center of uranium atom with the charge (+6) and two oxygen atom by forming two U=O double bonds. The structure is linear (O=U=O, 180) and usually stable. So other ligands often coordinate to the U atom in the plane perpendicularly to the O=U=O axis. The antitumor activity of some of ligand and their complexes against a panel of human tumor cell lines (HT29: Haman colon adenocarcinoma cell line T47D: human breast adenocarcinoma cell line) were determined by MTT(3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyl-tetrazolium bromide) assay. These data suggest that some of these compounds provide good models for the further design of potent antitumor compounds.

Keywords: inorganic, uranyl complex-donor ligands, Schiff bases, anticancer activity

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Authors: Edward J. Kansa, Pavel Holoborodko

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Continuously differentiable radial basis functions (RBFs) are meshfree, converge faster as the dimensionality increases, and is theoretically spectrally convergent. When implemented on current single and double precision computers, such RBFs can suffer from ill-conditioning because the systems of equations needed to be solved to find the expansion coefficients are full. However, the Advanpix extended precision software package allows computer mathematics to resemble asymptotically ideal Platonic mathematics. Additionally, full systems with extended precision execute faster graphical processors units and field-programmable gate arrays because no branching is needed. Sparse equation systems are fast for iterative solvers in a very limited number of cases.

Keywords: partial differential equations, Meshfree radial basis functions, , no restrictions on spatial dimensions, Extended arithmetic precision.

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Authors: Raoudha Chaabane, Faouzi Askri, Sassi Ben Nasrallah

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A new numerical algorithm is developed to solve coupled convection-radiation heat transfer in a two dimensional enclosure. Radiative heat transfer in participating medium has been carried out using the control volume finite element method (CVFEM). The radiative transfer equations (RTE) are formulated for absorbing, emitting and scattering medium. The density, velocity and temperature fields are calculated using the two double population lattice Boltzmann equation (LBE). In order to test the efficiency of the developed method the Rayleigh Benard convection with and without radiative heat transfer is analyzed. The obtained results are validated against available works in literature and the proposed method is found to be efficient, accurate and numerically stable.

Keywords: participating media, LBM, CVFEM- radiation coupled with convection

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Authors: L. Sellami, D. Idoughi, P. F. Tiako

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Cloud computing provides infrastructure to the enterprise through the Internet allowing access to cloud services at anytime and anywhere. This pervasive aspect of the services, the distributed nature of data and the wide use of information make cloud computing vulnerable to intrusions that violate the security of the cloud. This requires the use of security mechanisms to detect malicious behavior in network communications and hosts such as intrusion detection systems (IDS). In this article, we focus on the detection of intrusion into the cloud sing IDSs. We base ourselves on client authentication in the computing cloud. This technique allows to detect the abnormal use of ubiquitous service and prevents the intrusion of cloud computing. This is an approach based on client authentication data. Our IDS provides intrusion detection inside and outside cloud computing network. It is a double protection approach: The security user node and the global security cloud computing.

Keywords: cloud computing, intrusion detection system, privacy, trust

Procedia PDF Downloads 325

Authors: H. Amellal, Y. Noui, A. Djouab, S. Benamara

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Mech-Degla, Degla-Beida, and Frezza are the date (Phoenix dactylifera L.) common varieties with a more or less good availability and feeble trade value. Some morphologic and physicochemical factors were determined. Results show that the whole date weight is significantly different (P= 95%) concerning Mech-Degla and Degla-Beida which are more commercialised than Frezza whereas the pulp/kernel ratio for this last is highest (above 7) since it represents almost the double of that found for the two other varieties. The water content for all fruits is below 15g/100g (wet basis) what confers a dried consistence for common date. Some other morphologic and chemical proprieties of the whole pulps and their two constitutive parts (brown or pigmented and white) are also investigated. The predominance of phenolics in Mech-Degla (4.01g/100g, w.b) and Frezza (4.96 g/100g, w.b) pulps brown part is the main result revealed in this study.

Keywords: common dates, phenolics, sugars, tissues

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Authors: Nkechi V. Osuji

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The use of blockchain to address the issue of climate change is increasingly a discourse among countries, industries, and stakeholders. For a long time, the European Union (EU) has been combating the issue of climate action in industries through sustainability programs. One of such programs is the EU monitoring reporting and verification (MRV) program of the EU ETS. However, the system has some key challenges and areas for improvement, which makes it inefficient. The main objective of the research is to look at how blockchain can be used to improve the inefficiency of the EU ETS program for the Danish energy industry with a focus on its monitoring and reporting framework. Applying empirical data from 13 semi-structured expert interviews, three case studies, and literature reviews, three outcomes are presented in the study. The first is on the current conditions and challenges of monitoring and reporting CO₂ emission trading. The second is putting into consideration if blockchain is the right fit to solve these challenges and how. The third stage looks at the factors that might affect the implementation of such a system and provides recommendations to mitigate these challenges. The first stage of the findings reveals that the monitoring and reporting of CO₂ emissions is a mandatory requirement by law for all energy operators under the EU ETS program. However, most energy operators are non-compliant with the program in reality, which creates a gap and causes challenges in the monitoring and reporting of CO₂ emission trading. Other challenges the study found out are the lack of transparency, lack of standardization in CO₂ accounting, and the issue of double-counting in the current system. The second stage of the research was guided by three case studies and requirement engineering (RE) to explore these identified challenges and if blockchain is the right fit to address them. This stage of the research addressed the main research question: how can blockchain be used for monitoring and reporting CO₂ emission trading in the energy industry. Through analysis of the study data, the researcher developed a conceptual private permissioned Hyperledger blockchain and elucidated on how it can address the identified challenges. Particularly, the smart contract of blockchain was highlighted as a key feature. This is because of its ability to automate, be immutable, and digitally enforce negotiations without a middleman. These characteristics are unique in solving the issue of compliance, transparency, standardization, and double counting identified. The third stage of the research presents technological constraints and a high level of stakeholder collaboration as major factors that might affect the implementation of the proposed system. The proposed conceptual model requires high-level integration with other technologies such as the Internet of Things (IoT) and machine learning. Therefore, the study encourages future research in these areas. This is because blockchain is continually evolving its technology capabilities. As such, it remains a topic of interest in research and development for addressing climate change. Such a study is a good contribution to creating sustainable practices to solve the global climate issue.

Keywords: blockchain, carbon emission trading, European Union emission trading system, monitoring and reporting

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Authors: Jae Hong Kim, Sang Cheol Um, Jong Kook Lee

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Strong and biocompatible wollastonite (CaSiO3) was fabricated by pressureless sintering at temperature range of 1250~ 1300 ℃ and phase transition of to β-wollastonite with an addition of MgSiO3. Starting pure α-wollastonite powder were prepared by solid state reaction, and MgSiO3 powder was added to α-wollastonite powder to induce the phase transition α to β-wollastonite over 1250℃. Sintered wollastonite samples at 1250℃ with 5 and 10 wt% MgSiO3 were α+β phase and β phase respectively, and showed higher densification rate than that of α or β-wollastonite, which are almost the same as the theoretical density. Hardness and Young’s modulus of sintered wollastonite were dependent on the apparent density and the amount of β-wollastonite. Young’s modulus (78GPa) of β-wollastonite added 10 wt% MgSiO3 was almost double time of sintered α-wollastonite. From the in-vitro test, biphasic (α+β) wollastonite with 5wt% MgSiO3 addition had good bioactivity in simulated body fluid solution.

Keywords: β-wollastonite, high density, MgSiO3, phase transition

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Authors: Dmitry V. Fomichev, Vladimir V. Solonin

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This paper presents the findings from a numerical simulation of the flow in 37-rod fuel assembly models spaced by a double-wire trapezoidal wrapping as applied to the BREST-OD-300 experimental nuclear reactor. Data on a high static pressure distribution within the models, and equations for determining the fuel bundle flow friction factors have been obtained. Recommendations are provided on using the closing turbulence models available in the ANSYS Fluent. A comparative analysis has been performed against the existing empirical equations for determining the flow friction factors. The calculated and experimental data fit has been shown. An analysis into the experimental data and results of the numerical simulation of the BREST-OD-300 fuel rod assembly hydrodynamic performance are presented.

Keywords: BREST-OD-300, ware-spaces, fuel assembly, computation fluid dynamics

Procedia PDF Downloads 385

Authors: Davood Shishebori, Mohammad Saber Fallah Nezhad, Sina Seifi

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In this paper, a variable multiple dependent state (MDS) sampling plan is developed based on the process capability index using Bayesian approach. The optimal parameters of the developed sampling plan with respect to constraints related to the risk of consumer and producer are presented. Two comparison studies have been done. First, the methods of double sampling model, sampling plan for resubmitted lots and repetitive group sampling (RGS) plan are elaborated and average sample numbers of the developed MDS plan and other classical methods are compared. A comparison study between the developed MDS plan based on Bayesian approach and the exact probability distribution is carried out.

Keywords: MDS sampling plan, RGS plan, sampling plan for resubmitted lots, process capability index (PCI), average sample number (ASN), Bayesian approach

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Authors: A. Elrefaei

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The possibility of having sheets with different thicknesses and materials in one assembly facilitates the optimal material distribution within the final product and reduces the weight of the structure. Ability of joining process to assembly these different material combinations is always a challenge to the designer. In this study, 0.6 mm thick 6061-T6 and 2 mm thick 5182-O were robot CMT welded using ER5356 and ER4043 filler metals. The thermal effect of welding resulted in a loss of hardness in the 6061 HAZ. Joints welded by ER5356 filler metal were much higher in fracture load than joints welded by ER4043 and the elongation of joints welded by ER5356 was almost double its corresponding joints welded by ER4043 filler. Owing to the big difference in formability and thickness of base metals, the fracture in forming test occurred in the softened 6061 HAZ out from the weld centerline.

Keywords: aluminum, CMT, mechanical, welding

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Authors: Tarek S. Jamil, Ahmed M. Shaban, Eman S. Mansor, Ahmed A. Karim, Azza M. Abdel Aty

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In this manuscript, 35 m³/d NF unit was designed and applied for surface water treatment of river Nile water. Intake of Embaba drinking water treatment plant was selected to install that unit at since; it has the lowest water quality index value through the examined 6 sites in greater Cairo area. The optimized operating conditions were feed and permeate flow, 40 and 7 m³/d, feed pressure 2.68 bar and flux rate 37.7 l/m2.h. The permeate water was drinkable according to Egyptian Ministerial decree 458/2007 for the tested parameters (physic-chemical, heavy metals, organic, algal, bacteriological and parasitological). Single and double sand filters were used as pretreatment for NF membranes, but continuous clogging for sand filters moved us to use UF membrane as pretreatment for NF membrane.

Keywords: River Nile, NF membrane, pretreatment, UF membrane, water quality

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Authors: Mohammad A. Alolayan, John S. Evans, James K. Hammitt

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The value of statistical life has been estimated for a middle eastern country with high economical subsidization system. In this study, in-person interviews were conducted on a stratified random sample to estimate the value of mortality risk. Double-bounded dichotomous choice questions followed by open-ended question were used in the interview to investigate the willingness to pay of the respondent for mortality risk reduction. High willingness to pay was found to be associated with high income and education. Also, females were found to have lower willingness to pay than males. The estimated value of statistical life is larger than the ones estimated for western countries where taxation system exists. This estimate provides a baseline for monetizing the health benefits for proposed policy or program to the decision makers in an eastern country. Also, the value of statistical life for a country in the region can be extrapolated from this this estimate by using the benefit transfer method.

Keywords: mortality, risk, VSL, willingness-to-pay

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Authors: Supriyono, Sumardiyono

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Biodiesel is one of the alternative fuels that promising for substituting petrodiesel as energy source which is have advantage on sustainability and eco-friendly. Due to the raw material that tend to decompose during storage, biodiesel also have the same characteristic that tend to decompose and formed higher acid value which is the result of oxidation to double bond on a chain of ester. Decomposition of biodiesel due to oxidation reaction could prevent by introduce a small amount of antioxidant. The origin of raw materials and the process for producing biodiesel will determine the effectiveness of antioxidant. The quality degradation on biodiesel could evaluated by measuring iodine value and acid number of biodiesel. Biodiesel made from High Fatty Acid Jatropha curcas oil equality by using esterification and esterification process will stand on the quality by introduce 90 ppm pyrogallol powder on the biodiesel, which could extend the quality from 2 hours to more than 6 hours in rancimat test evaluation.

Keywords: biodiesel, antioxidant, iodine number, acid value

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Authors: JongWon Han, NoHoon Kim, HyoIk Ahn, HaeWoo Lee

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In this study, shielded metal arc welding was performed as a function of Nb content at 2.24 wt%, 3.25 wt%, and 4.26 wt%. The microstructure was observed using scanning electron microscopy/energy dispersive X-ray spectroscopy (SEM/EDS) and showed the development of a columnar dendrite structure in the specimen having the least Nb content. From the hardness test, the hardness value was confirmed to reduce with decreasing Nb content. From electron backscatter diffraction (EBSD) analysis, the largest grain size was found in the specimen with Nb content of 2.24 wt%. The potentiodynamic polarization test was carried out to determine the pitting corrosion resistance; there was no significant difference in the pitting corrosion resistance with increasing Nb content. To evaluate the degree of sensitization to intergranular corrosion, the Double Loop Electrochemical Potentiodynamic Reactivation(DL-EPR test) was conducted. A similar degree of sensitization was found in two specimens except with a Nb content of 2.24 wt%, while a relatively high degree of sensitization was found in the specimen with a Nb content of 2.24 wt%.

Keywords: inconel 625, Nb content, potentiodynamic test, DL-EPR test

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Authors: Anton Stadler, Thorsten Ike

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In this paper, we present a video based smoke detection algorithm based on TVL1 optical flow estimation. The main part of the algorithm is an accumulating system for motion angles and upward motion speed of the flow field. We optimized the usage of TVL1 flow estimation for the detection of smoke with very low smoke density. Therefore, we use adapted flow parameters and estimate the flow field on difference images. We show in theory and in evaluation that this improves the performance of smoke detection significantly. We evaluate the smoke algorithm using videos with different smoke densities and different backgrounds. We show that smoke detection is very reliable in varying scenarios. Further we verify that our algorithm is very robust towards crowded scenes disturbance videos.

Keywords: low density, optical flow, upward smoke motion, video based smoke detection

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Authors: Simran Baweja, Bhavika Kalal, Surajit Maity

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Photoinduced tautomerization reactions have been the centre of attention among the scientific community over the past several decades because of their significance in various biological systems. 7-azaindole (7AI) is considered a model system for DNA base pairing and to understand the role of such tautomerization reactions in mutations. To the best of our knowledge, extensive studies have been carried out on 7-azaindole and its solvent clusters exhibiting proton/ hydrogen transfer in both solution as well as gas phases. Derivatives of the above molecule, like 2,7- and 2,6-diazaindoles are proposed to have even better photophysical properties due to the presence of -aza group on the 2nd position. However, there are studies in the solution phase that suggest the relevance of these molecules, but there are no experimental studies reported in the gas phase yet. In our current investigation, we present the first gas phase spectroscopic data of 2,7-diazaindole (2,7-DAI) and its solvent cluster (2,7-DAI-H2O). In this, we have employed state-of-the-art laser spectroscopic methods such as fluorescence excitation (LIF), dispersed fluorescence (DF), resonant two-photon ionization-time of flight mass spectrometry (2C-R2PI), photoionization efficiency spectroscopy (PIE), IR-UV double resonance spectroscopy, i.e., fluorescence-dip infrared spectroscopy (FDIR) and resonant ion-dip infrared spectroscopy (IDIR) to understand the electronic structure of the molecule. The origin band corresponding to the S1 ← S0 transition of the bare 2,7-DAI is found to be positioned at 33910 cm-1, whereas the origin band corresponding to S1 ← S0 transition of the 2,7-DAI-H2O is positioned at 33074 cm-1. The red-shifted transition in the case of solvent cluster suggests the enhanced feasibility of excited state hydrogen/ proton transfer. The ionization potential for the 2,7-DAI molecule is found to be 8.92 eV which is significantly higher than the previously reported 7AI (8.11 eV) molecule, making it a comparatively complex molecule to study. The ionization potential is reduced by 0.14 eV in the case of 2,7-DAI-H2O (8.78 eV) cluster compared to that of 2,7-DAI. Moreover, on comparison with the available literature values of 7AI, we found the origin band of 2,7-DAI and 2,7-DAI-H2O to be red-shifted by -729 and -280 cm-1 respectively. The ground and excited state N-H stretching frequencies of the 27DAI molecule were determined using fluorescence-dip infrared spectra (FDIR) and resonant ion dip infrared spectroscopy (IDIR), obtained at 3523 and 3467 cm-1, respectively. The lower value of vNH in the electronically excited state of 27DAI implies the higher acidity of the group compared to the ground state. Moreover, we have done extensive computational analysis, which suggests that the energy barrier in the excited state reduces significantly as we increase the number of catalytic solvent molecules (S= H2O, NH3) as well as the polarity of solvent molecules. We found that the ammonia molecule is a better candidate for hydrogen transfer compared to water because of its higher gas-phase basicity. Further studies are underway to understand the excited state dynamics and photochemistry of such N-rich chromophores.

Keywords: excited state hydrogen transfer, supersonic expansion, gas phase spectroscopy, IR-UV double resonance spectroscopy, laser induced fluorescence, photoionization efficiency spectroscopy

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Authors: Vijay Kumar Kutala, Addepalli Pavani, M. Amresh Rao, Naushad Sm

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In this study, we evaluated the impact of CYP2C9*2 and CYP2C9*3 variants on binding and hydroxylation of warfarin. In silico data revealed that warfarin forms two hydrogen bonds with protein backbone i.e. I205 and S209, one hydrogen bond with protein side chain i.e. T301 and stacking interaction with F100 in CYP2C9*1. In CYP2C9*2 and CYP2C9*3 variants, two hydrogen bonds with protein backbone are disrupted. In double variant, all the hydrogen bonds are disrupted. The distances between C7 of S-warfarin and Fe-O in CYP2C9*1, CYP2C9*2, CYP2C9*3 and CYP2C9*2/*3 were 5.81A°, 7.02A°, 7.43° and 10.07°, respectively. The glide scores (Kcal/mol) were -7.698, -7.380, -6.821 and -6.986, respectively. Increase in warfarin/7-hydroxy warfarin ratio was observed with increase in variant alleles. To conclude, CYP2C9*2 and CYP2C9*3 variants result in disruption of hydrogen bonding interactions with warfarin and longer distance between C7 and Fe-O thus impairing warfarin 7-hydroxylation due to lower binding affinity of warfarin.

Keywords: warfarin, CYP2C9 polymorphism, personalized medicine, in Silico

Procedia PDF Downloads 323

Authors: Manel Hammami, Gabriele Grandi

Abstract:

In recent years, multilevel inverters have become more attractive for single-phase photovoltaic (PV) systems, due to their known advantages over conventional H-bridge pulse width-modulated (PWM) inverters. They offer improved output waveforms, smaller filter size, lower total harmonic distortion (THD), higher output voltages and others. The most common multilevel converter topologies, presented in literature, are the neutral-point-clamped (NPC), flying capacitor (FC) and Cascaded H-Bridge (CHB) converters. In both NPC and FC configurations, the number of components drastically increases with the number of levels what leads to complexity of the control strategy, high volume, and cost. Whereas, increasing the number of levels in case of the cascaded H-bridge configuration is a flexible solution. However, it needs isolated power sources for each stage, and it can be applied to PV systems only in case of PV sub-fields. In order to improve the ratio between the number of output voltage levels and the number of components, several hybrids and asymmetric topologies of multilevel inverters have been proposed in the literature such as the FC asymmetric H-bridge (FCAH) and the NPC asymmetric H-bridge (NPCAH) topologies. Another asymmetric multilevel inverter configuration that could have interesting applications is the cascaded asymmetric H-bridge (CAH), which is based on a modular half-bridge (two switches and one capacitor, also called level doubling network, LDN) cascaded to a full H-bridge in order to double the output voltage level. This solution has the same number of switches as the above mentioned AH configurations (i.e., six), and just one capacitor (as the FCAH). CAH is becoming popular, due to its simple, modular and reliable structure, and it can be considered as a retrofit which can be added in series to an existing H-Bridge configuration in order to double the output voltage levels. In this paper, an original and effective method for the analysis of the DC-link voltage ripple is given for single-phase asymmetric H-bridge multilevel inverters based on level doubling network (LDN). Different possible configurations of the asymmetric H-Bridge multilevel inverters have been considered and the analysis of input voltage and current are analytically determined and numerically verified by Matlab/Simulink for the case of cascaded asymmetric H-bridge multilevel inverters. A comparison between FCAH and the CAH configurations is done on the basis of the analysis of the DC and voltage ripple for the DC source (i.e., the PV system). The peak-to-peak DC and voltage ripple amplitudes are analytically calculated over the fundamental period as a function of the modulation index. On the basis of the maximum peak-to-peak values of low frequency and switching ripple voltage components, the DC capacitors can be designed. Reference is made to unity output power factor, as in case of most of the grid-connected PV generation systems. Simulation results will be presented in the full paper in order to prove the effectiveness of the proposed developments in all the operating conditions.

Keywords: asymmetric inverters, dc-link voltage, level doubling network, single-phase multilevel inverter

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Authors: Ilsun Pang, Kwanghun Kim, Sungsun Baik

Abstract:

Large diameter Si wafer is used as semiconductor substrate. Large diameter Si crystal ingot should be needed in order to increase wafer size. To make convection of large silicon melt stable, magnetic field is normally applied, but magnetic field is expensive and it is not proper to stabilize the large Si melt. To solve the problem, we propose a continuous Czochralski process which can be applied to small melt without magnetic field. We used granule poly, which has size distribution of 1~3 mm and is easily supplied in double crucible during silicon ingot growth. As the result, we produced 420 mm diameter ingot. In this paper, we describe an experimental study on crystal growth of large diameter silicon by Continuous Czochralski process.

Keywords: Czochralski, ingot, silicon crystal, wafer

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Authors: Mala Nath, Nagamani Kompelli, Partha Roy, Snehasish Das

Abstract:

Two new metal-based anticancer chemotherapeutic agents, [(Ph2Sn)2(HGuO)2(phen)Cl2] 1 and [(Ph3Sn)(HGuO)(phen)]- Cl.CH3OH.H2O 2, were designed, prepared and characterized by analytical and spectral (IR, ESI-Mass, 1H, 13C and 119Sn NMR) techniques. The proposed geometry of Sn(IV) in 1 and 2 is distorted octahedral and distorted trigonal-bipyramidal, respectively. Both 1 and 2 exhibit potential cytotoxicity in vitro against MCF-7, HepG-2 and DU-145 cell lines. The intrinsic binding constant (Kb) values of 1 (2.33 × 105 M-1) and 2 (2.46 × 105 M-1) evaluated from UV-Visible absorption studies suggest non-classical electrostatic mode of interaction via phosphate backbone of DNA double helix. The Stern-Volmer quenching constant (Ksv) of 1 (9.74 × 105 M-1) and 2 (2.9 × 106 M-1) determined by fluorescence studies suggests the groove binding and intercalation mode for 1 and 2, respectively. Effective cleavage of pBR322 DNA is induced by 1. Their interaction with DNA of cancer cells may account for potency.

Keywords: anticancer agents, DNA binding studies, NMR spectroscopy, organotin

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Authors: João Pereira Dos Santos

Abstract:

The uneven spatial distribution of start-ups and their respective survival may reflect comparative advantages resulting from the local institutional background. For the first time, we explore this idea using Data Envelopment Analysis (DEA) to assess relative efficiency of Portuguese municipalities in this specific context. We depart from the related literature where expenditure is perceived as a desirable input by choosing a measure of fiscal responsibility and infrastructural variables in the first stage. Comparing results for 2006 and 2010, we find that mean performance decreased substantially with 1) the effects of the Global Financial Crisis; 2) as municipal population increases and 3) as financial independence decreases. A second stage is then computed employing a double-bootstrap procedure to evaluate how the regional context outside the control of local authorities (e.g. demographic characteristics and political preferences) impacts on efficiency.

Keywords: entrepreneurship, political economy, public finance, accountability, crisis, efficiency, Portuguese municipalities

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Authors: Nadia Allouache

Abstract:

The concept of second law is assumed to be important to optimize the energy losses in heat exchangers. The present study is devoted to the numerical prediction of entropy generation due to heat transfer and friction in a double tube heat exchanger partly or fully filled with a porous medium. The goal of this work is to find the optimal conditions that allow minimizing entropy generation. For this purpose, numerical modeling based on the control volume method is used to describe the flow and heat transfer phenomena in the fluid and the porous medium. Effects of the porous layer thickness, its permeability, and the effective thermal conductivity have been investigated. Unexpectedly, the fully porous heat exchanger yields a lower entropy generation than the partly porous case or the fluid case even if the friction increases the entropy generation.

Keywords: heat exchangers, porous medium, second law approach, turbulent flow

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Authors: Nigar Kantarci Carsibasi

Abstract:

Coarse-grained elastic network models, namely Gaussian network model (GNM) and Anisotropic network model (ANM), are utilized in order to investigate the fluctuation dynamics of Murine Double Minute 2 (MDM2), which is the native inhibitor of p53. Conformational dynamics of MDM2 are elucidated in unbound, p53 bound, and non-peptide small molecule inhibitor bound forms. With this, it is aimed to gain insights about the alterations brought to global dynamics of MDM2 by native peptide inhibitor p53, and two small molecule inhibitors (HDM201 and NVP-CGM097) that are undergoing clinical stages in cancer studies. MDM2 undergoes significant conformational changes upon inhibitor binding, carrying pieces of evidence of induced-fit mechanism. Small molecule inhibitors examined in this work exhibit similar fluctuation dynamics and characteristic mode shapes with p53 when complexed with MDM2, which would shed light on the design of novel small molecule inhibitors for cancer therapy. The results showed that residues Phe 19, Trp 23, Leu 26 reside in the minima of slowest modes of p53, pointing to the accepted three-finger binding model. Pro 27 displays the most significant hinge present in p53 and comes out to be another functionally important residue. Three distinct regions are identified in MDM2, for which significant conformational changes are observed upon binding. Regions I (residues 50-77) and III (residues 90-105) correspond to the binding interface of MDM2, including (α2, L2, and α4), which are stabilized during complex formation. Region II (residues 77-90) exhibits a large amplitude motion, being highly flexible, both in the absence and presence of p53 or other inhibitors. MDM2 exhibits a scattered profile in the fastest modes of motion, while binding of p53 and inhibitors puts restraints on MDM2 domains, clearly distinguishing the kinetically hot regions. Mode shape analysis revealed that the α4 domain controls the size of the cleft by keeping the cleft narrow in unbound MDM2; and open in the bound states for proper penetration and binding of p53 and inhibitors, which points to the induced-fit mechanism of p53 binding. P53 interacts with α2 and α4 in a synchronized manner. Collective modes are shifted upon inhibitor binding, i.e., second mode characteristic motion in MDM2-p53 complex is observed in the first mode of apo MDM2; however, apo and bound MDM2 exhibits similar features in the softest modes pointing to pre-existing modes facilitating the ligand binding. Although much higher amplitude motions are attained in the presence of non-peptide small molecule inhibitor molecules as compared to p53, they demonstrate close similarity. Hence, NVP-CGM097 and HDM201 succeed in mimicking the p53 behavior well. Elucidating how drug candidates alter the MDM2 global and conformational dynamics would shed light on the rational design of novel anticancer drugs.

Keywords: cancer, drug design, elastic network model, MDM2

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