Search results for: molecular dynamics

Authors: Igor Astrov, Natalya Berezovski

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This paper focuses on a critical component of the situational awareness (SA), the control of autonomous vertical flight for vectored thrust aerial vehicle (VTAV). With the SA strategy, we proposed a neural network motion control procedure to address the dynamics variation and performance requirement difference of flight trajectory for a VTAV. This control strategy with using of NARMA-L2 neurocontroller for chosen model of VTAV has been verified by simulation of take-off and forward maneuvers using software package Simulink and demonstrated good performance for fast stabilization of motors, consequently, fast SA with economy in energy can be asserted during search-and-rescue operations.

Keywords: NARMA-L2 neurocontroller, situational awareness, vectored thrust aerial vehicle, aviation

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Authors: H. Benaldjia, N. Habib, F. Djefaflia, A. Nait-Merzoug, A. Harat, J. El-Haskouri, O. Guellati

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Currently, the technology has attracted knowledge of energy storage sources similar to batteries, capacitors and super-capacitors because of its very different applications in many fields with major social and economic challenges. Moreover, hydroxides have attracted much attention as a promising and active material choice in large-scale applications such as molecular adsorption/storage and separation for the environment, ion exchange, nanotechnology, supercapacitor for energy storage and conversion, electro-biosensing, and catalysts, due to their unique properties which are strongly influenced by their composition, microstructure, and synthesis method. In this context, we report in this study the synthesis of hydroxide-based nanomaterials precisely based on Ni and Fe using a simple hydrothermal method with mono and bi precursors at optimized growth conditions (6h-120°C). The obtained products were characterized using different techniques, such as XRD, FTIR, FESEM and BET, as well as electrochemical measurements.

Keywords: energy storage, Supercapacitors, nanocomposites, nanohybride, electro-active materials.

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Authors: Laura Southgate

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The Association of Southeast Asian Nations (ASEAN), as well as much of the scholarship on the organisation, celebrates its ability to uphold the principle of regional autonomy, understood as upholding the norm of non-intervention by external powers in regional affairs. Yet, in practice, this has been repeatedly violated. This dichotomy between rhetoric and practice suggests an interesting avenue for further study. The East Timor crisis (1975-1999) has been selected as a case-study to test the dynamics of ASEAN state resistance to sovereignty violation in two distinct timeframes: Indonesia’s initial invasion of the territory in 1975, and the ensuing humanitarian crisis in 1999 which resulted in a UN-mandated, Australian-led peacekeeping intervention force. These time-periods demonstrate variation on the dependent variable. It is necessary to observe covariation in order to derive observations in support of a causal theory. To establish covariation, my independent variable is therefore a continuous variable characterised by variation in convergence of interest. Change of this variable should change the value of the dependent variable, thus establishing causal direction. This paper investigates the history of ASEAN’s relationship to the norm of non-intervention. It offers an alternative understanding of ASEAN’s history, written in terms of the relationship between a key ASEAN state, which I call a ‘vanguard state’, and selected external powers. This paper will consider when ASEAN resistance to sovereignty violation has succeeded, and when it has failed. It will contend that variation in outcomes associated with vanguard state resistance to sovereignty violation can be best explained by levels of interest convergence between the ASEAN vanguard state and designated external actors. Evidence will be provided to support the hypothesis that in 1999, ASEAN’s failure to resist violations to the sovereignty of Indonesia was a consequence of low interest convergence between Indonesia and the external powers. Conversely, in 1975, ASEAN’s ability to resist violations to the sovereignty of Indonesia was a consequence of high interest convergence between Indonesia and the external powers. As the vanguard state, Indonesia was able to apply pressure on the ASEAN states and obtain unanimous support for Indonesia’s East Timor policy in 1975 and 1999. However, the key factor explaining the variance in outcomes in both time periods resides in the critical role played by external actors. This view represents a serious challenge to much of the existing scholarship that emphasises ASEAN’s ability to defend regional autonomy. As these cases attempt to show, ASEAN autonomy is much more contingent than portrayed in the existing literature.

Keywords: ASEAN, east timor, intervention, sovereignty

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Authors: Edmilson Nhambe, Belisario Machaieie

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Since the signing of the General Peace Agreement-GPA in 1992, Mozambique has seen successive setbacks in the search for effective peace, civil war, social conflicts, terrorism, and armed conflicts mix the reality of Mozambican democracy. The article seeks to understand the dynamics of conflict and peace in Mozambique. Specifically, it seeks to analyze the structural factors that lead to (violent) conflict situations and the factors that favor or promote peace. For this purpose, desk research was chosen to analyze studies of peace and conflict. This article develops the argument that the non-violation of the peace agreement, in particular the GPA in Rome, as it had a structuring effect on the Mozambican political system, no longer guarantees in itself the irreversibility of the pacification process. In fact, the country is currently stagnating in the category of a fragile peace process with the risk of slipping into a situation of war or open armed conflict.

Keywords: peace, conflict, GPA, instability

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Authors: Mengqi Zhu, Chang Nyung Kim

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This study numerically investigates three-dimensional liquid-metal (LM) magnetohydrodynamic (MHD) flows in a misaligned duct under a uniform magnetic field. The duct consists of two misaligned horizontal channels (one is inflow channel, the other is outflow channel) and one central vertical channel. Computational fluid dynamics simulations are performed to predict the behavior of the MHD flows, using commercial code CFX. In the current study, a case with Hartmann number 1000 is considered. The electromagnetic features of LM MHD flows are elucidated to examine the interdependency of the flow velocity, current density, electric potential, pressure drop and Lorentz force. The results show that pressure decreases linearly along the main flow direction.

Keywords: CFX, liquid-metal magnetohydrodynamic flows, misaligned duct, pressure drop

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Authors: Sergey Kuznetsov, Yuri Urman

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We present an approach to investigate non-linear dynamical effects occurring in the noncontact superconducting and diamagnetic suspensions, when levitated body has finite size. This approach is based on the calculation of interaction energy between spherical finite size superconducting or diamagnetic body with external magnetic field. Effects of small deviations from spherical shape may be also taken into account by introducing small corrections to the energy. This model allows investigating dynamical effects important for practical applications, such as nonlinear resonances, change of vibration plane, coupling of rotational and translational motions etc. We also show how the geometry of suspension affects various dynamical effects and how an inverse problem may be formulated to enforce or diminish various dynamical effects.

Keywords: levitation, non-linear dynamics, superconducting, diamagnetic stability

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Authors: Biswaranjan D. Mohapatra, Ipsha Hota, Swarna P. Mantry, Nibedita Behera, Kumar S. K. Varadwaj

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Designing highly active and low-cost oxygen evolution (2H₂O → 4H⁺ + 4e⁻ + O₂) electrocatalyst is one of the most active areas of advanced energy research. Some precious metal-based electrocatalysts, such as IrO₂ and RuO₂, have shown excellent performance for oxygen evolution reaction (OER); however, they suffer from high-cost and low abundance which limits their applications. Recently, layered double hydroxides (LDHs), composed of layers of divalent and trivalent transition metal cations coordinated to hydroxide anions, have gathered attention as an alternative OER catalyst. However, LDHs are insulators and coupled with carbon materials for the electrocatalytic applications. Graphene covalently doped with nitrogen has been demonstrated to be an excellent electrocatalyst for energy conversion technologies such as; oxygen reduction reaction (ORR), oxygen evolution reaction (OER) & hydrogen evolution reaction (HER). However, they operate at high overpotentials, significantly above the thermodynamic standard potentials. Recently, we reported remarkably enhanced catalytic activity of benzoate or 1-pyrenebutyrate functionalized N-doped graphene towards the ORR in alkaline medium. The molecular and heteroatom co-doping on graphene is expected to tune the electronic structure of graphene. Therefore, an innovative catalyst architecture, in which LDHs are anchored on aromatic acid functionalized ‘N’ doped graphene may presumably boost the OER activity to a new benchmark. Herein, we report fabrication of Co₂Fe-LDH on aromatic acid (AA) functionalized ‘N’ doped reduced graphene oxide (NG) and studied their OER activities in alkaline medium. In the first step, a novel polyol method is applied for synthesis of AA functionalized NG, which is well dispersed in aqueous medium. In the second step, Co₂Fe LDH were grown on AA functionalized NG by co-precipitation method. The hybrid samples are abbreviated as Co₂Fe LDH/AA-NG, where AA is either Benzoic acid or 1, 3-Benzene dicarboxylic acid (BDA) or 1, 3, 5 Benzene tricarboxylic acid (BTA). The crystal structure and morphology of the samples were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM) and transmission electron microscope (TEM). These studies confirmed the growth of layered single phase LDH. The electrocatalytic OER activity of these hybrid materials was investigated by rotating disc electrode (RDE) technique on a glassy carbon electrode. The linear sweep voltammetry (LSV) on these catalyst samples were taken at 1600rpm. We observed significant OER performance enhancement in terms of onset potential and current density on Co₂Fe LDH/BTA-NG hybrid, indicating the synergic effect. This exploration of molecular functionalization effect in doped graphene and LDH system may provide an excellent platform for innovative design of OER catalysts.

Keywords: π-π functionalization, layered double hydroxide, oxygen evolution reaction, reduced graphene oxide

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Authors: Arpit Sachan, Nilanshu Kumar

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This paper tries to understand the nuances of feminisation of agriculture in the Indian context and how that is associated with better intrahousehold bargaining power for women. The economic survey of India indicates a constant increase in the share of the female workforce in Indian agriculture in the past few decades. This can be accounted for by many factors like the migration of male workers to urban areas and, therefore, the complete burden of agriculture shifting on the female counterparts. Therefore this study is an attempt to study that how this increase in the female workforce corresponds to a better decision-making ability for women in rural farm households. This paper is an attempt to carefully evaluate this aspect of the feminisation of Indian agriculture. The paper tries to study how various factors that improve the status of women in agriculture change with things like resource ownership. This paper uses both the macro-level and micro-level data to study the dynamics of the proportion of the workforce in agriculture across different states in India and how that has translated into better indicators for women in rural areas. The fall in India’s rank in the global gender wage gap index is alarming in such a context, and this creates a puzzle with increasing female workforce participation. The paper will consider if the condition of women improved over time with the increased share of employment or not? Using field survey data, this paper tries to understand if there exists any digression for some of the indicators both at the macro and micro level. The paper also tries to integrate the economic understanding of gender aspects of the workforce and the sociological stance prevailing in the existing literature. Therefore, this paper takes a mixed-method approach to better understand the role that social structure plays in the improved status of women within and across various households. Therefore, this paper will finally help us understanding if at all there is a feminisation of Indian agriculture or it's just exploitation of a different kind. This study intends to create a distinction between the gendered labour force in Indian agriculture and the complete democratization of Indian agriculture. The study is primarily focused on areas where the exodus of male migrants pushes women to work on agricultural farms. The question posits is whether it is the willingness of women to work in agriculture or is it urbanisation and development-induced conditions that make women work in agriculture as farm labourers? The motive is to understand if factors like resource ownership and the ability to autonomous decision-making are interlinked with an increased proportion of the female workforce or not? Based on this framework, we finally provide a brief comment on policy implications of government intervention in improving Indian agriculture and the gender aspects associated with it.

Keywords: feminisation, intrahousehold bargaining, farm households, migration, agriculture, decision-making

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Authors: Ouardi Okkacha, Kaarour Abedlkrim, Meskine Mohamed

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The effective Hamiltonians are widely used in molecular spectroscopy for the interpretation of the vibration-rotation spectra. Their construction is an ambiguous procedure due to the existence of unitary transformations that change the effective Hamiltonian but do not change its eigenvalues. As a consequence of this ambiguity, it may happen that some parameters of effective Hamiltonians cannot be recovered from experimental data in a unique way. The type of admissible transformations which keeps the operator form of the effective Hamiltonian unaltered and the number of empirically determinable parameters strongly depend on the symmetry type of a molecule (asymmetric top, spherical top, and so on) and on the degeneracy of the vibrational state. In this work, we report the study of the ambiguity of effective Hamiltonian for the fundamental degenerate states v3 of the Molecule 12CD4.

Keywords: 12CD4, high-resolution infrared spectra, tetrahedral tensorial formalism, vibrational states, rovibrational line position analysis, XTDS, SPVIEW

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Authors: Sachin Aggarwal, Sarah Kassinger, Nicholas Hoffman

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Geometry simplification is a key step in performing conjugate heat transfer analysis using CFD. This paper proposes a standard methodology for the geometry simplification of rotating machines, such as electrical generators and electrical motors (both air and liquid-cooled). These machines are extensively deployed throughout the aerospace and automotive industries, where optimization of weight, volume, and performance is paramount -especially given the current global transition to renewable energy sources and vehicle hybridization and electrification. Conjugate heat transfer analysis is an essential step in optimizing their complex design. This methodology will help in reducing convergence issues due to poor mesh quality, thus decreasing computational cost and overall analysis time.

Keywords: CFD, electrical machines, Geometry simplification, heat transfer

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Authors: F. Louati, H. Trabelsi, M. Jamei

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Desiccation cracks following drainage-humidification cycles. With water loss, mainly due to evaporation, suction in the soil increases, producing volumetric shrinkage and tensile stress. When the tensile stress reaches tensile strength, the soil cracks. Desiccation cracks networks can directly control soil hydraulic properties. The aim of this study was for quantifying the hydraulic properties for examples the water retention curve, the saturated hydraulic conductivity, the unsaturated hydraulic conductivity function, the shrinkage dynamics in Tibar soil- clay soil in the Northern of Tunisia. Then a numerical simulation of unsaturated hydraulic properties for a crack network has been attempted. The finite elements code ‘CODE_BRIGHT’ can be used to follow the hydraulic distribution in cracked porous media.

Keywords: desiccation, cracks, permeability, unsaturated hydraulic flow, simulation

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Authors: Ariadna Jalife Gómez, Claudia Rangel Escareño

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The Acropora coral genus has experienced impactful consequences of climate change, especially in terms of population reduction related to limited thermal tolerance, however, comprehensive resources for genetic responses of these corals to phenomena are lacking. Thus, this study aims to identify key genes expressed across different developmental stages and conditions of Acropora spp. highlighted in published studies given the shared tissue and polyp-level characteristics among the species comprising the genus, as it is hypothesized that common reproductive, developmental, and stress response mechanisms are conserved. The presented resources, aiming to streamline the genus’ biology, elucidate several signaling pathways of development and stress response that contribute to the understanding of researchers of overall biological responses, while providing a genetic framework for potential further studies that might contribute to reef preservation strategies.

Keywords: acropora, development, genes, transcriptomics

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Authors: Seham Elia Moussa Shenouda

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The relationship between development and human rights has long been the subject of academic debate. To understand the dynamics between these two concepts, various principles are adopted, from the right to development to development-based human rights. Despite the initiatives taken, the relationship between development and human rights remains unclear. However, the overlap between these two views and the idea that efforts should be made in the field of human rights have increased in recent years. It is then evaluated whether the right to sustainable development is acceptable or not. The article concludes that the principles of sustainable development are directly or indirectly recognized in various human rights instruments, which is a good answer to the question posed above. This book therefore cites regional and international human rights agreements such as , as well as the jurisprudence and interpretative guidelines of human rights institutions, to prove this hypothesis.

Keywords: sustainable development, human rights, the right to development, the human rights-based approach to development, environmental rights, economic development, social sustainability human rights protection, human rights violations, workers’ rights, justice, security

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Authors: Javier Fernandez De Canete, Alvaro Fernandez-Quintero

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Nowadays, adaptive control schemes are being used when model based control schemes are applied in presence of uncertainty and model mismatches. Artificial neural networks have been employed both in modelling and control of non-linear dynamic systems with unknown dynamics. In fact, these are powerful tools to solve this control problem when only input-output operational data are available. A neural network controller under SIMULINK together with the ARDUINO hardware platform has been used to perform real-time speed control of a computer case fan. Comparison of performance with a PID controller has also been presented in order to show the efficacy of neural control under different command signals tracking and also when disturbance signals are present in the speed control loops.

Keywords: neural networks, ARDUINO platform, SIMULINK, adaptive speed control

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Authors: Vinaya Kambappa, Chinnadurai Mani, Komaraiah Palle

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Non-small cell-lung cancer (NSCLC) cells have increased expression of EGFR, which makes them a potential target for cancer therapy. Based on molecular docking and previous reports, we designed and synthesized quinazoline derivatives as potent EGFR inhibitors. Among the derivatives, three compounds showed good antiproliferative activity against A-549 and H-1299 cells. Furthermore, these compounds inhibited EGFR signaling exhibiting diminishing p-EGFR and its downstream proteins like p-Akt, p-Erk1/2, and p-mTOR; however, it did not alter the levels of EGFR, Akt, Erk1/2 and mTOR proteins. Flow cytometric analysis indicated the accumulation of cells at G1 phase suggesting induction of apoptosis, which was further confirmed by annexin V/propidium iodide staining. Our study suggested that quinazoline scaffold can be developed as novel EGFR kinase inhibitors for cancer therapy.

Keywords: apoptosis, non-small cell-lung cancer cells, EGFR, quinazoline

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Authors: Huseyin Gokberk, Shian Gao

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CFD analysis of the relationship between the coefficients of lift and drag with respect to the angle of attack on a NACA 2412 wing section of an RC plane is conducted. Both the 2D and 3D models are investigated with the turbulence model. The 2D analysis has a free stream velocity of 10m/s at different AoA of 0°, 2°, 5°, 10°, 12°, and 15°. The induced drag and drag coefficient increased throughout the changes in angles even after the critical angle had been exceeded, whereas the lift force and coefficient of lift increased but had a limit at the critical stall angle, which results in values to reduce sharply. Turbulence flow characteristics are analysed around the aerofoil with the additions caused due to a finite 3D model. 3D results highlight how wing tip vortexes develop and alter the flow around the wing with the effects of the tapered configuration.

Keywords: CFD, turbulence modelling, aerofoil, angle of attack

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Authors: E. Obreque-Slier, P. Osorio-Umaña, G. Vidal-Acevedo, A. Peña-Neira, M. Medel-Marabolí

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Sensory and nutraceutical characteristics of a wine are determined by different chemical compounds, such as organic acids, sugars, alcohols, polysaccharides, aromas, and polyphenols. The polyphenols correspond to secondary metabolites that are associated with the prevention of several pathologies, and those are responsible for color, aroma, bitterness, and astringency in wines. These compounds come from grapes and wood during aging in barrels, which correspond to the format of wood most widely used in wine production. However, the barrels is a high-cost input with a limited useful life (3-4 years). For this reason, some oenological products have been developed in order to renew the barrels and increase their useful life in some years. These formats are being used slowly because limited information exists about the effect on the wine chemical characteristics. The objective of the study was to evaluate the effect of different laubarrel renewal systems (staves and zigzag) on the polyphenolic characteristics of a Carménère wine (Vitis vinifera), an emblematic cultivar of Chile. For this, a completely randomized experimental design with 5 treatments and three replicates per treatment was used. The treatments were: new barrels (T0), used barrels during 4 years (T1), scraped used barrels (T2), used barrels with staves (T3) and used barrels with zigzag (T4). The study was performed for 12 months, and different spectrophotometric parameters (phenols, anthocyanins, and total tannins) and HPLC-DAD (low molecular weight phenols) were evaluated. The wood inputs were donated by Toneleria Nacional and corresponded to products from the same production batch. The total phenols content increased significantly after 40 days, while the total tannin concentration decreased gradually during the study. The anthocyanin concentration increased after 120 days of the assay in all treatments. Comparatively, it was observed that the wine of T2 presented the lowest values of these polyphenols, while the T0 and T4 presented the highest total phenol contents. Also, T1 presented the highest values of total tannins in relation to the rest of the treatments in some samples. The low molecular weight phenolic compounds identified by HPLC-DAD were 7 flavonoids (epigallocatechin, catechin, procyanidin gallate, epicatechin, quercetin, rutin and myricetin) and 14 non-flavonoids (gallic, protocatechuic, hydroxybenzoic, trans-cutaric, vanillinic, caffeic, syringic, p-coumaric and ellagic acids; tyrosol, vanillin, syringaldehyde, trans-resveratrol and cis-resveratrol). Tyrosol was the most abundant compound, whereas ellagic acid was the lowest in the samples. Comparatively, it was observed that the wines of T2 showed the lowest concentrations of flavonoid and non-flavonoid phenols during the study. In contrast, wines of T1, T3, and T4 presented the highest contents of non-flavonoid polyphenols. In summary, the use of barrel renovators (zig zag and staves) is an interesting alternative which would emulate the contribution of polyphenols from the barrels to the wine.

Keywords: barrels, oak wood aging, polyphenols, red wine

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Authors: Yue Yan, Chang Nyung Kim

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The numerical investigation of the three-dimensional liquid-metal (LM) magnetohydrodynamic (MHD) flows in a curved duct with flow channel insert (FCI) is presented in this paper, based on the computational fluid dynamics (CFD) method. A uniform magnetic field is applied perpendicular to the duct. The interdependency of the flow variables is examined in terms of the flow velocity, current density, electric potential and pressure. The electromagnetic characteristics of the LM MHD flows are reviewed with an introduction of the electric-field component and electro-motive component of the current. The influence of the existence of the FCI on the fluid flow is investigated in detail. The case with FCI slit located near the side layer yields smaller pressure gradient with stable flow field.

Keywords: curved duct, flow channel insert, liquid-metal, magnetohydrodynamic

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Authors: Gerardo Ayala-Jaimes, Gilberto Gonzalez-Avalos, Allen A. Castillo, Alejandra Jimenez

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The modeling of a single-phase cycloconverter in Bond Graph is presented, which includes an alternating current power supply, hybrid dynamics, switch control, and resistive load; this approach facilitates the integration of systems across different energy domains and structural analysis. Cycloconverters, used in motor control, demonstrate the viability of graphical modeling. The use of Bonds is proposed to model the hybrid interaction of the system, and the results are displayed through simulations using 20Sim and Multisim software. The motivation behind developing these models with a graphical approach is to design and build low-cost energy converters, thereby making the main contribution of this document the modeling and simulation of a single-phase cycloconverter.

Keywords: bond graph, hybrid system, rectifier, cycloconverter, modelling

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Authors: Won Jun Jo, Man Young Kim

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To meet stringent diesel particulate matter regulations, DPF system is essential after treatment technology providing exceptional reliability and filtration performance. At low load driving conditions, the passive type of DPF system is ineffective for regeneration method due to the inadequate of engine exhaust heat in removing accumulated soot from the filter. Therefore, DPF cleaning device is necessary to remove the soot particles. In this work, the numerical analysis on the active regeneration of DPF in DPF cleaning device is performed to find the optimum operating conditions. In order to find the DPF regeneration characteristics during active regeneration, 5 different initial soot loading condition are investigated. As the initial soot mass increases, the maximum temperature of DPF and regeneration rate also increase.

Keywords: active regeneration, DPF cleaning device, pressure drop, Diesel Particulate Filter, particulate matters, computational fluid dynamics

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Authors: Mafalda Moreira, Diana Alba, Inês Paiva Ferreira, Rita Calejo, Ana Rita Soares, Leonilde Machado

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Intellectual disability (ID) is characterized by deficits in intellectualfunctioningassociatedwithalterations in the adaptive behaviour, whose onset is inthedevelopmentalperiod. Itaffects 3% of the population, ofwhich 10% have a geneticaetiology. One of those causes isAlwadeiSyndrome, with 3 cases describedworldwide. It results from a homozygous nonsense mutation in theRUSC2 gene andisassociatedwithintellectualdisabilityanddysmorphic facialfeatures. Theauthorsreportthe case of a 5-year-old-boy, born to a healthymotherafter a full-termuneventfulpregnancy, thatwasreferred to Neurodevelopmentalconsultationdue toglobal developmentaldelay. Familyhistoryrevealedlearningdifficulties in the paternal brotherhood. Milddismorphicfeatureswereevidentsuch as darkinfraorbitalregion, low-set ears, beakednose, retrognathism, high-archedpalateandjointhyperlaxity. WechslerIntelligenceScale for Children III fullscaleIQ quoted 61. Karyotypeandchromosomalmicroarrayanalysiswerenormal, as well as the fragile X molecular study. DNA sequencingwasthenperformedandallowedtheidentificationof amutation in the RUSC2 gene. Theetiologicaldiagnosisof ID remains unknown in up to 80% of cases, creatinguncertainty in children’sfamilies. Theadvances in DNA sequencingtechnologieshaveincreasedourknowledgeofthegeneticdiseasesinvolved, as theAlwadeisyndromewasonlydescribedsince 2016. Thegeneticdiagnosisof ID allowsfamilygeneticcounselingandenablesthedevelopmentof target therapeutic approaches.

Keywords: intellectual disability, genetic aetiology, alwadei syndrome, RUSC2

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Authors: Ammar Ouahab, Meriem Houichi , Sanna Mihoubi

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Background: Nigella sativa is an annual flowering plant, belongs to the Ranunculaceae family. It has many pharmacological activities such as anti-inflammatory; anti-bacterial; anti-hepatotoxic activities etc. Materials: In order to predict the pharmacological activity of Nigella Sativa’s compounds, some web based servers were used, namely, PubChem, Molinspiration, ADMET-SAR, PASS online and PharMapper. In addition to that, AutoDOCK was used to investigate the different molecular interactions between the selected compounds and their target proteins. Results: All compounds displayed a stable interaction with their targets and satisfactory binding energies, which means that they are active on their targets. Conclusion: Nigella sativa is an effective medicinal plant that has several ethno-medical uses; the latter uses are proven herein via an in-silico study of their pharmacological activities.

Keywords: Nigella sativa, AutoDOCK, PubChem, Molinspiration, ADMET-SAR, PharMapper, PASS online server, docking

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Authors: Amina Benabderrahmane, Abdelylah Benazza, Samir Laouedj

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Three dimensional numerical investigation of heat transfer enhancement inside a non-uniformly heated parabolic trough solar collector fitted with baffles under turbulent flow was studied in the current paper. Molten salt is used as heat transfer fluid and simulations are carried out in ANSYS computational fluid dynamics (CFD). The present data was validating by the empirical correlations available in the literatures and good agreement was obtained. The Nusselt number and friction factor values for using baffles are considerably higher than that for smooth pipe. The emplacement and the distance between two consecutive baffles have an effect non-negligible on heat transfer characteristics; the results demonstrate that the temperature gradient reduces with the inclusion of inserts.

Keywords: Baffles, heat transfer enhancement, molten salt, Monte Carlo ray trace technique, numerical investigation

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Authors: Boukary Lam, Sebastien Deon, Patrick Fievet, Nadia Crini, Gregorio Crini

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Treatment of heavy metal-contaminated industrial wastewater has become a major challenge over the last decades. Conventional processes for the treatment of metal-containing effluents do not always simultaneously satisfy both legislative and economic criteria. In this context, coupling of processes can then be a promising alternative to the conventional approaches used by industry. The polymer-assisted ultrafiltration (PAUF) process is one of these coupling processes. Its principle is based on a sequence of steps with reaction (e.g., complexation) between metal ions and a polymer and a step involving the rejection of the formed species by means of a UF membrane. Unlike free ions, which can cross the UF membrane due to their small size, the polymer/ion species, the size of which is larger than pore size, are rejected. The PAUF process was deeply investigated herein in the case of removal of nickel ions by adding chitosan and carboxymethyl cellulose (CMC). Experiments were conducted with synthetic solutions containing 1 to 100 ppm of nickel ions with or without the presence of NaCl (0.05 to 0.2 M), and an industrial discharge water (containing several metal ions) with and without polymer. Chitosan with a molecular weight of 1.8×105 g mol⁻¹ and a degree of acetylation close to 15% was used. CMC with a degree of substitution of 0.7 and a molecular weight of 9×105 g mol⁻¹ was employed. Filtration experiments were performed under cross-flow conditions with a filtration cell equipped with a polyamide thin film composite flat-sheet membrane (3.5 kDa). Without the step of polymer addition, it was found that nickel rejection decreases from 80 to 0% with increasing metal ion concentration and salt concentration. This behavior agrees qualitatively with the Donnan exclusion principle: the increase in the electrolyte concentration screens the electrostatic interaction between ions and the membrane fixed the charge, which decreases their rejection. It was shown that addition of a sufficient amount of polymer (greater than 10⁻² M of monomer unit) can offset this decrease and allow good metal removal. However, the permeation flux was found to be somewhat reduced due to the increase in osmotic pressure and viscosity. It was also highlighted that the increase in pH (from 3 to 9) has a strong influence on removal performances: the higher pH value, the better removal performance. The two polymers have shown similar performance enhancement at natural pH. However, chitosan has proved more efficient in slightly basic conditions (above its pKa) whereas CMC has demonstrated very weak rejection performances when pH is below its pKa. In terms of metal rejection, chitosan is thus probably the better option for basic or strongly acid (pH < 4) conditions. Nevertheless, CMC should probably be preferred to chitosan in natural conditions (5 < pH < 8) since its impact on the permeation flux is less significant. Finally, ultrafiltration of an industrial discharge water has shown that the increase in metal ion rejection induced by the polymer addition is very low due to the competing phenomenon between the various ions present in the complex mixture.

Keywords: carboxymethyl cellulose, chitosan, heavy metals, nickel ion, polymer-assisted ultrafiltration

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Authors: Zemlianskaya Daria, Egor Stadnichuk, Ekaterina Svechnikova

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Relativistic runaway electron avalanches (RREAs) are generally accepted as a source of thunderstorms gamma-ray radiation. Avalanches' dynamics in the electric fields can lead to their multiplication via gamma-rays and positrons, which is called relativistic feedback. This report shows that a non-uniform electric field geometry leads to the new RREAs multiplication mechanism - “geometric feedback”, which occurs due to the exchange of high-energy particles between different accelerating regions within a thundercloud. This report will present the results of the simulation in GEANT4 of feedback in a spherical cell. Necessary conditions for the occurrence of geometric feedback were obtained from it.

Keywords: electric field, GEANT4, gamma-rays, relativistic runaway electron avalanches (RREAs), relativistic feedback, the thundercloud

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Authors: Abdurrahim Dal, Tuncay Karaçay

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Dynamics of a rotor supported by air bearings is strongly depends on the pressure distribution between the rotor and the bearing. In this study, internal pressure in air bearings is numerical and experimental analyzed for different radial clearances. Firstly the pressure distribution between rotor and bearing is modeled using Reynold's equation and this model is solved numerically. The rotor-bearing system is also modeled in four degree of freedom and it is simulated for different radial clearances. Then, in order to validate numerical results, a test rig is designed and the rotor bearing system is run under the same operational conditions. Pressure signals of left and right bearings are recorded. Internal pressure variations are compared for numerical and experimental results for different radial clearances.

Keywords: air bearing, internal pressure, Reynold’s equation, rotor

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Authors: Atakan Efe Akpınar, Zeynep Demir

Abstract:

Seed priming technologies are frequently used nowadays to increase the germination potential and stress tolerance of seeds. These treatments might be beneficial for native species as well as crops. Different priming treatments can be used depending on the type of plant, the morphology, and the physiology of the seed. Moreover, these may be various physical, chemical, and/or biological treatments. Aiming to improve studies about seed priming, ideas need to be brought into this technological sector related to the agri-seed industry. In this study, seed priming was carried out using some plant extracts. Firstly, some plant extracts prepared from plant leaves, roots, or fruit parts were obtained for use in priming treatments. Then, seeds were kept in solutions containing plant extracts at 20°C for 48 hours. Seeds without any treatment were evaluated as the control group. At the end of priming applications, seeds are dried superficially at 25°C. Seeds were analyzed for vigor (normal germination rate, germination time, germination index etc.). In the future, seed priming applications can expand to multidisciplinary research combining with digital, bioinformatic and molecular tools.

Keywords: seed priming, plant extracts, germination, biology

Procedia PDF Downloads 76

Authors: O. Hasnaoui, A. Bekkouche, A. Mostefai, M. Bouazza

Abstract:

The region of Tlemcen (west Algeria) is known by their very important floral diversity bound to the conjugation of the multiple factors. Chamaerops humilis covers a big surface in this region, which appears in the majority of the cases in the form of more or less degraded matorral. Our work is dedicated to the comparative analysis of the groupings in chamaeropaie of the mounts of Tlemcen and mounts of traras, based on a phytoécologique approach. Four representative stations of chamaeropaies were retained to make this work. 120 floristic surveys were realized by using a minimal area of 100 m2. The obtained results show that the Mounts of Tlemcen present a wealth more important than those met at the level of the Mounts of Traras. More we go away from the coast towards the Mounts of Tlemcen, we notice a regressive evolution and a transformation of the plant carpet towards a thérophytisation, as well as an accentuation of the aridity.

Keywords: Tlemcen, west Algeria, Chamaerops humilis L., phytoécological, floristic survey, thérophytisation

Procedia PDF Downloads 283

Authors: Saad S. Alrwashdeh, Henning Markötter, Handri Ammari, Jan Haußmann, Tobias Arlt, Joachim Scholta, Ingo Manke

Abstract:

In this investigation, synchrotron X-ray imaging is used to study water transport inside polymer electrolyte membrane fuel cells. Two measurement techniques are used, namely in-situ radiography and quasi-in-situ tomography combining together in order to reveal the relationship between the structures of the microporous layers (MPLs) and the gas diffusion layers (GDLs), the operation temperature and the water flow. The developed cell is equipped with a thick GDL and a high back pressure MPL. It is found that these modifications strongly influence the overall water transport in the whole adjacent GDM.

Keywords: polymer electrolyte membrane fuel cell, microporous layer, water transport, radiography, tomography

Procedia PDF Downloads 179

Authors: Fakhrosadat Sajjadian

Abstract:

In the USA, about 5% of women diagnosed with breast cancer annually are affected by Inflammatory Breast Cancer (IBC), which is a highly aggressive type of Locally Advanced Breast Cancer (LABC). It is a type of LABC that is clinically and pathologically different, known for its rapid growth, invasiveness, and ability to promote the growth of blood vessels. Almost all women are found to have lymph nodes affected upon diagnosis, while around 36% show obvious distant metastases. Even with the latest improvements in multimodality therapies, the outlook for patients with IBC remains bleak, as the average disease-free survival time is less than 2.5 years. Recent research on the genetic factors responsible for the IBC phenotype has resulted in the discovery of genes that play a role in the advancement of this illness. The development of primary human cell lines and animal models has assisted in this research. These advancements offer new possibilities for future actions in identifying and treating IBC.

Keywords: breast cancer, inflammation, diagnosis, IBC, LABC

Procedia PDF Downloads 43