Search results for: linear stability
5164 Investigation of Building Loads Effect on the Stability of Slope
Authors: Hadj Brahim Mounia, Belhamel Farid, Souici Messoud
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In big cities, construction on sloping land (landslide) is becoming increasingly prevalent due to the unavailability of flat lands. This has created a major challenge for structural engineers with regard to structure design, due to the difficulties encountered during the implementation of projects, both for the structure and the soil. This paper analyses the effect of the number of floors of a building, founded on isolated footing on the stability of the slope using the computer code finite element PLAXIS 2D v. 8.2. The isolated footings of a building in this case were anchored in soil so that the levels of successive isolated footing realize a maximum slope of base of three for two heights, which connects the edges of the nearest footings, according to the Algerian building code DTR-BC 2.331: Shallow foundations. The results show that the embedment of the foundation into the soil reduces the value of the safety factor due to the change of the stress state of the soil by these foundations. The number of floors a building has also influences the safety factor. It has been noticed from this case of study that there is no risk of collapse of slopes for an inclination between 5° and 8°. In the case of slope inclination greater than 10° it has been noticed that the urbanization is prohibited.Keywords: isolated footings, multi-storeys building, PLAXIS 2D, slope
Procedia PDF Downloads 2515163 Hazardous Effects of Metal Ions on the Thermal Stability of Hydroxylammonium Nitrate
Authors: Shweta Hoyani, Charlie Oommen
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HAN-based liquid propellants are perceived as potential substitute for hydrazine in space propulsion. Storage stability for long service life in orbit is one of the key concerns for HAN-based monopropellants because of its reactivity with metallic and non-metallic impurities which could entrain from the surface of fuel tanks and the tubes. The end result of this reactivity directly affects the handling, performance and storability of the liquid propellant. Gaseous products resulting from the decomposition of the propellant can lead to deleterious pressure build up in storage vessels. The partial loss of an energetic component can change the ignition and the combustion behavior and alter the performance of the thruster. The effect of largely plausible metals- iron, copper, chromium, nickel, manganese, molybdenum, zinc, titanium and cadmium on the thermal decomposition mechanism of HAN has been investigated in this context. Studies involving different concentrations of metal ions and HAN at different preheat temperatures have been carried out. Effect of metal ions on the decomposition behavior of HAN has been studied earlier in the context of use of HAN as gun propellant. However the current investigation pertains to the decomposition mechanism of HAN in the context of use of HAN as monopropellant for space propulsion. Decomposition onset temperature, rate of weight loss, heat of reaction were studied using DTA- TGA and total pressure rise and rate of pressure rise during decomposition were evaluated using an in-house built constant volume batch reactor. Besides, reaction mechanism and product profile were studied using TGA-FTIR setup. Iron and copper displayed the maximum reaction. Initial results indicate that iron and copper shows sensitizing effect at concentrations as low as 50 ppm with 60% HAN solution at 80°C. On the other hand 50 ppm zinc does not display any effect on the thermal decomposition of even 90% HAN solution at 80°C.Keywords: hydroxylammonium nitrate, monopropellant, reaction mechanism, thermal stability
Procedia PDF Downloads 4205162 The Strong Interactions among the Protons
Authors: Yin Rui, Yin Ming, Wang Yang
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This paper presents empirical evidence validating the Lorentz transformation of rotational frames for both inside critical cylinder (ICC) and outside critical cylinder (OCC) configurations, as well as the corresponding transformations of associated physical quantities. These transformations have been applied to derive the electromagnetic field parameters of a spinning charged particle. In our analysis of a two-proton system, we have not only uncovered strong interactions that are 238 times stronger than the electrostatic force but also elucidated the mechanisms underlying its stability and self-sustaining nature. Notably, this strong interaction manifests exclusively at distances on the order of 〖10 〗^(-15)meters, consistent with the known range of the strong nuclear force. Furthermore, we have extended our analysis to multi-proton systems, specifically examining configurations containing four to seven protons. For these more complex systems, we have derived the strong interaction forces, providing insights into the nuclear dynamics of larger atomic nuclei. Our findings offer a more comprehensive understanding of the nature of strong interactions among protons. This work may have significant implications for advancing our knowledge of nuclear structure and stability and could potentially bridge the gap between electromagnetic and strong nuclear forces within a unified theoretical framework.Keywords: special relativity, Lorentz transformation, strong interactions, particle spin
Procedia PDF Downloads 65161 Optimization of Monascus Orange Pigments Production Using pH-Controlled Fed-Batch Fermentation
Authors: Young Min Kim, Deokyeong Choe, Chul Soo Shin
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Monascus pigments, commonly used as a natural colorant in Asia, have many biological activities, such as cholesterol level control, anti-obesity, anti-cancer, and anti-oxidant, that have recently been elucidated. Especially, amino acid derivatives of Monascus pigments are receiving much attention because they have higher biological activities than original Monascus pigments. Previously, there have been two ways to produce amino acid derivatives: one-step production and two-step production. However, the one-step production has low purity, and the two-step production—precursor(orange pigments) fermentation and derivatives synthesis—has low productivity and growth rate during its precursor fermentation step. In this study, it was verified that pH is a key factor that affects the stability of orange pigments and the growth rate of Monascus. With an optimal pH profile obtained by pH-stat fermentation, we designed a process of precursor(orange pigments) fermentation that is a pH-controlled fed-batch fermentation. The final concentration of orange pigments in this process increased to 5.5g/L which is about 30% higher than the concentration produced from the previously used precursor fermentation step.Keywords: cultivation process, fed-batch fermentation, monascus pigments, pH stability
Procedia PDF Downloads 2975160 Benefits of Whole-Body Vibration Training on Lower-Extremity Muscle Strength and Balance Control in Middle-Aged and Older Adults
Authors: Long-Shan Wu, Ming-Chen Ko, Chien-Chang Ho, Po-Fu Lee, Jenn-Woei Hsieh, Ching-Yu Tseng
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This study aimed to determine the effects of whole-body vibration (WBV) training on lower-extremity muscle strength and balance control performance among community-dwelling middle-aged and older adults in the United States. Twenty-nine participants without any contraindication of performing WBV exercise completed all the study procedures. Participants were randomly assigned to do body weight exercise with either an individualized vibration frequency and amplitude, a fixed vibration frequency and amplitude, or no vibration. Isokinetic knee extensor power, limits of stability, and sit-to-stand tests were performed at the baseline and after 8 weeks of training. Neither the individualized frequency-amplitude WBV training protocol nor the fixed frequency-amplitude WBV training protocol improved isokinetic knee extensor power. The limits of stability endpoint excursion score for the individualized frequency-amplitude group increased by 8.8 (12.9%; p = 0.025) after training. No significant differences were observed in fixed and control group. The maximum excursion score for the individualized frequency-amplitude group at baseline increased by 9.2 (11.5%; p = 0.006) after training. The average weight transfer time score significantly decreased by 0.21 s in the fixed group. The participants in the individualized group showed a significant increase (3.2%) in weight rising index score after 8 weeks of WBV training. These results suggest that 8 weeks of WBV training improved limit of stability and sit-to-stand performance. Future studies need to determine whether WBV training improves other factors that can influence posture control.Keywords: whole-body vibration training, muscle strength, balance control, middle-aged and older adults
Procedia PDF Downloads 2225159 Clay Hydrogel Nanocomposite for Controlled Small Molecule Release
Authors: Xiaolin Li, Terence Turney, John Forsythe, Bryce Feltis, Paul Wright, Vinh Truong, Will Gates
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Clay-hydrogel nanocomposites have attracted great attention recently, mainly because of their enhanced mechanical properties and ease of fabrication. Moreover, the unique platelet structure of clay nanoparticles enables the incorporation of bioactive molecules, such as proteins or drugs, through ion exchange, adsorption or intercalation. This study seeks to improve the mechanical and rheological properties of a novel hydrogel system, copolymerized from a tetrapodal polyethylene glycol (PEG) thiol and a linear, triblock PEG-PPG-PEG (PPG: polypropylene glycol) α,ω-bispropynoate polymer, with the simultaneous incorporation of various amounts of Na-saturated, montmorillonite clay (MMT) platelets (av. lateral dimension = 200 nm), to form a bioactive three-dimensional network. Although the parent hydrogel has controlled swelling ability and its PEG groups have good affinity for the clay platelets, it suffers from poor mechanical stability and is currently unsuitable for potential applications. Nanocomposite hydrogels containing 4wt% MMT showed a twelve-fold enhancement in compressive strength, reaching 0.75MPa, and also a three-fold acceleration in gelation time, when compared with the parent hydrogel. Interestingly, clay nanoplatelet incorporation into the hydrogel slowed down the rate of its dehydration in air. Preliminary results showed that protein binding by the MMT varied with the nature of the protein, as horseradish peroxidase (HRP) was more strongly bound than bovine serum albumin. The HRP was no longer active when bound, presumably as a result of extensive structural refolding. Further work is being undertaken to assess protein binding behaviour within the nanocomposite hydrogel for potential diabetic wound healing applications.Keywords: hydrogel, nanocomposite, small molecule, wound healing
Procedia PDF Downloads 2685158 Nonlinear Finite Element Modeling of Reinforced Concrete Flat Plate-Inclined Column Connection
Authors: Rabab Allouzi, Amer Alkloub
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As the complex shaped buildings become a popular trend for architects, this paper is presented to investigate the performance of reinforced concrete flat plate-inclined column connection. The studies on the inclined column and flat plate connections are not sufficient in comparison to those on the conventional structures. The effect of column angle of inclination on the punching shear strength is found significant and studied herein. This paper presents a non-linear finite element based modeling approach to estimate behavior of RC flat plate inclined column connection. Results from simulations of RC flat plate-straight column connection show good agreement with experimental response of specimens tested by other researchers. The model is further used to study the response of inclined columns to punching at various ranges of inclination angles. The inclination angle can be included in the punching shear strength provisions provided by ACI 318-14 to account for the effect of column inclination.Keywords: punching shear, non-linear finite element, inclined columns, reinforced concrete connection
Procedia PDF Downloads 2435157 Geotechnical Characterization of Landslide in Dounia Park, Algiers, Algeria
Authors: Mira Filali, Amar Nechnech
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Most landslides in Algiers take place in Piacenzian marls of the Sahel (port in Arabic) and cause severe damage to properties and infrastructures. The aim of this paper is to describe the results of experimental as well as theoretical analysis of landslides. In order to understand the process which caused this slope instabilities, the results of geotechnical investigation carried out by the laboratory of construction (LNHC) laboratory in the area of Dounia park were analyzed, including particle size distribution, Atterberg limits, shear strength, odometer and pressuremeter tests. The study shows that the soils exhibited a high capacity to swelling according to index plasticity and clay content. Highs limit liquidity (LL) (53.45%) means that the soils are susceptible to landslides. The stability analysis carried out using finite element method, shows that the slope is stable (Fs > 1) in dry condition and in static state. Despite this results, the stable site could be described as only conditionally stable because slope failure can occur under combined effect of different factors. In fact the safety factor obtained by applying load when the phreatic surface is at ground, less than 1.5.Keywords: index properties, landslides, safety factor, slope stability
Procedia PDF Downloads 2355156 Fluorometric Aptasensor: Evaluation of Stability and Comparison to Standard Enzyme-Linked Immunosorbent Assay
Authors: J. Carlos Kuri, Varun Vij, Raymond J. Turner, Orly Yadid-Pecht
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Celiac disease (CD) is an immune system disorder that is triggered by ingesting gluten. As a gluten-free (GF) diet has become a concern of many people for health reasons, a gold standard had to be nominated. Enzyme-linked immunosorbent assay (ELISA) has taken the seat of this role. However, multiple limitations were discovered, and with that, the desire for an alternative method now exists. Nucleic acid-based aptamers have become of great interest due to their selectivity, specificity, simplicity, and rapid-testing advantages. However, fluorescence-based aptasensors have been tagged as unstable, but lifespan details are rarely stated. In this work, the lifespan stability of a fluorescence-based aptasensor is shown over an 8-week-long study displaying the accuracy of the sensor and false negatives. This study follows 22 different samples, including GF and gluten-rich (GR) and soy sauce products, off-the-shelf products, and reference material from laboratories, giving a total of 836 tests. The analysis shows an accuracy of correctly classifying GF and GR products of 96.30% and 100%, respectively when the protocol is augmented with molecular sieves. The overall accuracy remains around 94% within the first four weeks and then decays to 63%.Keywords: aptasensor, PEG, rGO, FAM, RM, ELISA
Procedia PDF Downloads 1225155 Nonparametric Path Analysis with Truncated Spline Approach in Modeling Rural Poverty in Indonesia
Authors: Usriatur Rohma, Adji Achmad Rinaldo Fernandes
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Nonparametric path analysis is a statistical method that does not rely on the assumption that the curve is known. The purpose of this study is to determine the best nonparametric truncated spline path function between linear and quadratic polynomial degrees with 1, 2, and 3-knot points and to determine the significance of estimating the best nonparametric truncated spline path function in the model of the effect of population migration and agricultural economic growth on rural poverty through the variable unemployment rate using the t-test statistic at the jackknife resampling stage. The data used in this study are secondary data obtained from statistical publications. The results showed that the best model of nonparametric truncated spline path analysis is quadratic polynomial degree with 3-knot points. In addition, the significance of the best-truncated spline nonparametric path function estimation using jackknife resampling shows that all exogenous variables have a significant influence on the endogenous variables.Keywords: nonparametric path analysis, truncated spline, linear, quadratic, rural poverty, jackknife resampling
Procedia PDF Downloads 465154 Adomian’s Decomposition Method to Generalized Magneto-Thermoelasticity
Authors: Hamdy M. Youssef, Eman A. Al-Lehaibi
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Due to many applications and problems in the fields of plasma physics, geophysics, and other many topics, the interaction between the strain field and the magnetic field has to be considered. Adomian introduced the decomposition method for solving linear and nonlinear functional equations. This method leads to accurate, computable, approximately convergent solutions of linear and nonlinear partial and ordinary differential equations even the equations with variable coefficients. This paper is dealing with a mathematical model of generalized thermoelasticity of a half-space conducting medium. A magnetic field with constant intensity acts normal to the bounding plane has been assumed. Adomian’s decomposition method has been used to solve the model when the bounding plane is taken to be traction free and thermally loaded by harmonic heating. The numerical results for the temperature increment, the stress, the strain, the displacement, the induced magnetic, and the electric fields have been represented in figures. The magnetic field, the relaxation time, and the angular thermal load have significant effects on all the studied fields.Keywords: Adomian’s decomposition method, magneto-thermoelasticity, finite conductivity, iteration method, thermal load
Procedia PDF Downloads 1485153 Classifying Time Independent Plane Symmetric Spacetime through Noether`s Approach
Authors: Nazish Iftikhar, Adil Jhangeer, Tayyaba Naz
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The universe is expanding at an accelerated rate. Symmetries are useful in understanding universe’s behavior. Emmy Noether reported the relation between symmetries and conservation laws. These symmetries are known as Noether symmetries which correspond to a conserved quantity. In differential equations, conservation laws play an important role. Noether symmetries are helpful in modified theories of gravity. Time independent plane symmetric spacetime was classified by Noether`s theorem. By using Noether`s theorem, set of linear partial differential equations was obtained having A(r), B(r) and F(r) as unknown radial functions. The Lagrangian corresponding to considered spacetime in the Noether equation was used to get Noether operators. Different possibilities of radial functions were considered. Firstly, all functions were same. All the functions were considered as non-zero constant, linear, reciprocal and exponential respectively. Secondly, two functions were proportional to each other keeping third function different. Second case has four subcases in which four different relationships between A(r), B(r) and F(r) were discussed. In all cases, we obtained nontrivial Noether operators including gauge term. Conserved quantities for each Noether operators were also presented.Keywords: Noether gauge symmetries, radial function, Noether operator, conserved quantities
Procedia PDF Downloads 2285152 Analysis of Path Nonparametric Truncated Spline Maximum Cubic Order in Farmers Loyalty Modeling
Authors: Adji Achmad Rinaldo Fernandes
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Path analysis tests the relationship between variables through cause and effect. Before conducting further tests on path analysis, the assumption of linearity must be met. If the shape of the relationship is not linear and the shape of the curve is unknown, then use a nonparametric approach, one of which is a truncated spline. The purpose of this study is to estimate the function and get the best model on the nonparametric truncated spline path of linear, quadratic, and cubic orders with 1 and 2-knot points and determine the significance of the best function estimator in modeling farmer loyalty through the jackknife resampling method. This study uses secondary data through questionnaires to farmers in Sumbawa Regency who use SP-36 subsidized fertilizer products as many as 100 respondents. Based on the results of the analysis, it is known that the best-truncated spline nonparametric path model is the quadratic order of 2 knots with a coefficient of determination of 85.50%; the significance of the best-truncated spline nonparametric path estimator shows that all exogenous variables have a significant effect on endogenous variables.Keywords: nonparametric path analysis, farmer loyalty, jackknife resampling, truncated spline
Procedia PDF Downloads 455151 Exploration of Graphite Nano-Particles as Anti-Wear Additive for Performance Enhancement of Oil
Authors: Manoj Kumar Gupta, Jayashree Bijwe
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Additives in lubricating oils are the focus of research attention since the further reduction in friction and wear properties of oils would lead to the further saving of tribo-materials and energy apart from improving their efficiency. Remarkable tribo-performance enhancement is reported in the literature due to addition of particles of solid lubricants in lubricating oils; especially that of nano-sizes. In the present work graphite nano-particles (NPs) in various amounts (1, 2, 3 and 4 wt. %) were used to explore the possible anti-wear (AW) performance enhancement in Group III oil. Polyisobutylene succinimide (PIBSI- 1 wt. %) was used as a dispersant for dispersing these NPs and to enhance the stability of these nano-suspensions. It was observed that PIBSI inclusion enhanced the stability of oil almost by eight times. NPs in all amounts enhanced the AW performance of oil considerably. The optimum amount was three wt. %, which led to the highest enhancement under all loads. The extent of benefits, however, were dependent on load. At the lowest (392 N) and highest loads (784 N), the benefits were not profound. At moderate load (588 N), highest improvement (around 60 %) was recorded. The SEM and AFM studies were done on the worn ball surfaces to reveal the detailed features of films transferred and proved useful to correlate the wear performance of oils.Keywords: dispersant, graphite, nano-lubricant, anti-wear additive
Procedia PDF Downloads 1615150 Evaluation on Mechanical Stabilities of Clay-Sand Mixtures Used as Engineered Barrier for Radioactive Waste Disposal
Authors: Ahmet E. Osmanlioglu
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In this study, natural bentonite was used as natural clay material and samples were taken from the Kalecik district in Ankara. In this research, bentonite is the subject of an analysis from standpoint of assessing the basic properties of engineered barriers with respect to the buffer material. Bentonite and sand mixtures were prepared for tests. Some of clay minerals give relatively higher hydraulic conductivity and lower swelling pressure. Generally, hydraulic conductivity of these type clays is lower than <10-12 m/s. The hydraulic properties of clay-sand mixtures are evaluated to design engineered barrier specifications. Hydraulic conductivities of bentonite-sand mixture were found in the range of 1.2x10-10 to 9.3x10-10 m/s. Optimum B/S mixture ratio was determined as 35% in terms of hydraulic conductivity and mechanical stability. At the second stage of this study, all samples were compacted into cylindrical shape molds (diameter: 50 mm and length: 120 mm). The strength properties of compacted mixtures were better than the compacted bentonite. In addition, the larger content of the quartz sand in the mixture has the greater thermal conductivity.Keywords: engineered barriers, mechanical stability, clay, nuclear waste disposal
Procedia PDF Downloads 3825149 Influencing Factors on Stability of Shale with Silt Layers at Slopes
Authors: A. K. M. Badrul Alam, Yoshiaki Fujii, Nahid Hasan Dipu, Shakil Ahmed Razo
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Shale rockmasses often include silt layers, impacting slope stability in construction and mining. Analyzing their interaction is crucial for long-term stability. A study used an elastoplastic model, incorporating the stress transfer method and Coulomb's criterion, to assess a shale rock mass with silt layers. It computed stress distribution, assessed failure potential, and identified vulnerable regions where nodal forces were calculated for a comprehensive analysis. A shale rock mass ranging from 14.75 to 16.75 meters thick, with silt layers varying from 0.36 to 0.5 meters, was considered in the model. It examined four silt layer conditions: horizontal (SiHL), vertical (SiVL), inclined against slope (SiIincAGS), and along slope (SilincALO). Mechanical parameters like uniaxial compressive strength (UCS), tensile strength (TS), Young’s modulus (E), Poisson’s ratio, and density were adjusted for varied scenarios: UCS (0.5 to 5 MPa), TS (0.1 to 1 MPa), and E (6 to 60 MPa). In elastic analysis of shale rock masses, stress distributions vary based on layer properties. When shale and silt layers have the same elasticity modulus (E), stress concentrates at corners. If the silt layer has a lower E than shale, marginal changes in maximum stress (σmax) occur for SilHL. A decrease in σmax is evident at SilVL. Slight variations in σmax are observed for SilincAGS and SilincALO. In the elastoplastic analysis, the overall decrease of 20%, 40%, 60%, 80%, and 90% was considered. For SilHL:(i) Same E, UCS, and TS for silt layer and shale, UCS/TS ratio 5: strength decrease led to shear (S), tension then shear (T then S) failure; noticeable failure at 60% decrease, significant at 80%, collapse at 90%. (ii) Lower E for silt layer, same strength as shale: No significant differences. (iii) Lower E and UCS, silt layer strength 1/10: No significant differences. For SilVL: (i) Same E, UCS, and TS for silt layer and shale, UCS/TS ratio 5: Similar effects as SilHL. (ii) Lower E for silt layer, same strength as shale: Slip occurred. (iii) Lower E and UCS, silt layer strength 1/10: Bitension failure also observed with larger slip. For SilincAGS: (i) Same E, UCS, and TS for silt layer and shale, UCS/TS ratio 5: Effects similar to SilHL. (ii) Lower E for silt layer, same strength as shale: Slip occurred. (iii) Lower E and UCS, silt layer strength 1/10: Tension failure also observed with larger slip. For SilincALO: (i) Same E, UCS, and TS for silt layer and shale, UCS/TS ratio 5: Similar to SilHL with tension failure. (ii) Lower E for silt layer, same strength as shale: No significant differences; failure diverged. (iii) Lower E and UCS, silt layer strength 1/10: Bitension failure also observed with larger slip; failure diverged. Toppling failure was observed for lower E cases of SilVL and SilincAGS. The presence of silt interlayers in shale greatly impacts slope stability. Designing slopes requires careful consideration of both the silt and shale's mechanical properties. The temporal degradation of strength in these layers is a major concern. Thus, slope design must comprehensively analyze the immediate and long-term mechanical behavior of interlayer silt and shale to effectively mitigate instability.Keywords: shale rock masses, silt layers, slope stability, elasto-plastic model, temporal degradation
Procedia PDF Downloads 525148 The “Buffer Layer” An Improved Electrode-Electrolyte Interface For Solid-State Batteries
Authors: Gregory Schmidt
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Solid-state lithium batteries are broadly accepted as promising candidates for application in the next generation of EVs as they should offer safer and higher-energy-density batteries. Nonetheless, their development is impeded by many challenges, including the resistive electrode–electrolyte interface originating from the removal of the liquid electrolyte that normally permeates through the porous cathode and ensures efficient ionic conductivity through the cell. One way to tackle this challenge is by formulating composite cathodes containing solid ionic conductors in their structure, but this approach will require the conductors to exhibit chemical stability, electrochemical stability, flexibility, and adhesion and is, therefore, limited to some materials. Recently, Arkema developed a technology called buffering layer which allows the transformation of any conventional porous electrode into a catholyte. This organic layer has a very high ionic conductivity at room temperature, is compatible with all active materials, and can be processed with conventional Gigafactory equipment. Moreover, this layer helps protect the solid ionic conductor from the cathode and anode materials. During this presentation, the manufacture and the electrochemical performance of this layer for different systems of cathode and anode will be discussed.Keywords: electrochemistry, all solid state battery, materials, interface
Procedia PDF Downloads 945147 Molecular Electrostatic Potential in Z-3N(2-Ethoxyphenyl), 2-N'(2-Ethoxyphenyl) Imino Thiazolidin-4-one Molecule by Ab Initio and DFT Methods
Authors: Manel Boulakoud, Abdelkader Chouaih, Fodil Hamzaoui
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In the present work we are interested in the determination of the Molecular electrostatic potential (MEP) in Z-3N(2-Ethoxyphenyl), 2-N’(2-Ethoxyphenyl) imino thiazolidin-4-one molecule by ab initio and Density Functional Theory (DFT) in the ground state. The MEP is related to the electronic density and is a very useful descriptor in understanding sites for electrophilic attack and nucleophilic reactions as well as hydrogen bonding interactions. First, geometry optimization was carried out using Hartree–Fock (HF) and DFT methods with 6-311G(d,p) basis set. In order to get more information on the molecule, its stability has been analyzed by natural bond orbital (NBO) analysis. Mulliken population analyses have been calculated. Finally, the molecular electrostatic potential (MEP) and HOMO-LUMO energy levels have been performed. The calculated HOMO and LUMO energies show also the charge transfer within the molecule. The energy gap obtained is about 4 eV which explain the stability of the studied compound. The obtained molecular electrostatic potential from the two methods confirms the nature of the electron charge transfer at the molecular shell and locate the electropositive part and the electronegative part in molecular scale of the title compound.Keywords: DFT, ab initio, HOMO-LUMO, organic compounds
Procedia PDF Downloads 5345146 Computational Insight into a Mechanistic Overview of Water Exchange Kinetics and Thermodynamic Stabilities of Bis and Tris-Aquated Complexes of Lanthanides
Authors: Niharika Keot, Manabendra Sarma
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A thorough investigation of Ln3+ complexes with more than one inner-sphere water molecule is crucial for designing high relaxivity contrast agents (CAs) used in magnetic resonance imaging (MRI). This study accomplished a comparative stability analysis of two hexadentate (H3cbda and H3dpaa) and two heptadentate (H4peada and H3tpaa) ligands with Ln3+ ions. The higher stability of the hexadentate H3cbda and heptadentate H4peada ligands has been confirmed by the binding affinity and Gibbs free energy analysis in aqueous solution. In addition, energy decomposition analysis (EDA) reveals the higher binding affinity of the peada4− ligand than the cbda3− ligand towards Ln3+ ions due to the higher charge density of the peada4− ligand. Moreover, a mechanistic overview of water exchange kinetics has been carried out based on the strength of the metal–water bond. The strength of the metal–water bond follows the trend Gd–O47 (w) > Gd–O39 (w) > Gd–O36 (w) in the case of the tris-aquated [Gd(cbda)(H2O)3] and Gd–O43 (w) > Gd–O40 (w) for the bis-aquated [Gd(peada)(H2O)2]− complex, which was confirmed by bond length, electron density (ρ), and electron localization function (ELF) at the corresponding bond critical points. Our analysis also predicts that the activation energy barrier decreases with the decrease in bond strength; hence kex increases. The 17O and 1H hyperfine coupling constant values of all the coordinated water molecules were different, calculated by using the second-order Douglas–Kroll–Hess (DKH2) approach. Furthermore, the ionic nature of the bonding in the metal–ligand (M–L) bond was confirmed by the Quantum Theory of Atoms-In-Molecules (QTAIM) and ELF along with energy decomposition analysis (EDA). We hope that the results can be used as a basis for the design of highly efficient Gd(III)-based high relaxivity MRI contrast agents for medical applications.Keywords: MRI contrast agents, lanthanide chemistry, thermodynamic stability, water exchange kinetics
Procedia PDF Downloads 825145 Synthesis, Characterization, Computational Study, Antimicrobial Evaluation, in Vivo Toxicity Study of Manganese (II) and Copper (II) Complexes with Derivative Sulfa-drug
Authors: Afaf Bouchoucha, Karima Si Larbi, Mohamed Amine Bourouaia, Salah.Boulanouar, Safia.Djabbar
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The synthesis, characterization and comparative biological study of manganese (II) and copper (II) complexes with an heterocyclic ligand used in pharmaceutical field (Scheme 1), were reported. Two kinds of complexes were obtained with derivative sulfonamide, [M (L)₂ (H₂O)₂].H₂O and [M (L)₂ (Cl)₂]3H₂O. These complexes have been prepared and characterized by elemental analysis, FAB mass, ESR magnetic measurements, FTIR, UV-Visible spectra and conductivity. Their stability constants have been determined by potentiometric methods in a water-ethanol (90:10 v/v) mixture at a 0.2 mol l-1 ionic strength (NaCl) and at 25.0 ± 0.1 ºC using Sirko program. DFT calculations were done using B3LYP/6-31G(d) and B3LYP/LanL2DZ. The antimicrobial activity of ligand and complexes against the species Escherichia coli, P. aeruginosa, Klebsiella pneumoniae, S. aureus, Bacillus subtilisan, Candida albicans, Candida tropicalis, Saccharomyces, Aspergillus fumigatus and Aspergillus terreus has been carried out and compared using agar-diffusion method. Also, the toxicity study was evaluated on synchesis complexes using Mice of NMRI strain.Keywords: hetterocyclic ligand, complex, stability constant, antimicrobial activity, DFT, acute and genotoxicity study
Procedia PDF Downloads 1165144 Measurement Errors and Misclassifications in Covariates in Logistic Regression: Bayesian Adjustment of Main and Interaction Effects and the Sample Size Implications
Authors: Shahadut Hossain
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Measurement errors in continuous covariates and/or misclassifications in categorical covariates are common in epidemiological studies. Regression analysis ignoring such mismeasurements seriously biases the estimated main and interaction effects of covariates on the outcome of interest. Thus, adjustments for such mismeasurements are necessary. In this research, we propose a Bayesian parametric framework for eliminating deleterious impacts of covariate mismeasurements in logistic regression. The proposed adjustment method is unified and thus can be applied to any generalized linear and non-linear regression models. Furthermore, adjustment for covariate mismeasurements requires validation data usually in the form of either gold standard measurements or replicates of the mismeasured covariates on a subset of the study population. Initial investigation shows that adequacy of such adjustment depends on the sizes of main and validation samples, especially when prevalences of the categorical covariates are low. Thus, we investigate the impact of main and validation sample sizes on the adjusted estimates, and provide a general guideline about these sample sizes based on simulation studies.Keywords: measurement errors, misclassification, mismeasurement, validation sample, Bayesian adjustment
Procedia PDF Downloads 4065143 Loading Factor Performance of a Centrifugal Compressor Impeller: Specific Features and Way of Modeling
Authors: K. Soldatova, Y. Galerkin
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A loading factor performance is necessary for the modeling of centrifugal compressor gas dynamic performance curve. Measured loading factors are linear function of a flow coefficient at an impeller exit. The performance does not depend on the compressibility criterion. To simulate loading factor performances, the authors present two parameters: a loading factor at zero flow rate and an angle between an ordinate and performance line. The calculated loading factor performances of non-viscous are linear too and close to experimental performances. Loading factor performances of several dozens of impellers with different blade exit angles, blade thickness and number, ratio of blade exit/inlet height, and two different type of blade mean line configuration. There are some trends of influence, which are evident – comparatively small blade thickness influence, and influence of geometry parameters is more for impellers with bigger blade exit angles, etc. Approximating equations for both parameters are suggested. The next phase of work will be simulating of experimental performances with the suggested approximation equations as a base.Keywords: loading factor performance, centrifugal compressor, impeller, modeling
Procedia PDF Downloads 3475142 Designing Price Stability Model of Red Cayenne Pepper Price in Wonogiri District, Centre Java, Using ARCH/GARCH Method
Authors: Fauzia Dianawati, Riska W. Purnomo
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Food and agricultural sector become the biggest sector contributing to inflation in Indonesia. Especially in Wonogiri district, red cayenne pepper was the biggest sector contributing to inflation on 2016. A national statistic proved that in recent five years red cayenne pepper has the highest average level of fluctuation among all commodities. Some factors, like supply chain, price disparity, production quantity, crop failure, and oil price become the possible factor causes high volatility level in red cayenne pepper price. Therefore, this research tries to find the key factor causing fluctuation on red cayenne pepper by using ARCH/GARCH method. The method could accommodate the presence of heteroscedasticity in time series data. At the end of the research, it is statistically found that the second level of supply chain becomes the biggest part contributing to inflation with 3,35 of coefficient in fluctuation forecasting model of red cayenne pepper price. This model could become a reference to the government to determine the appropriate policy in maintaining the price stability of red cayenne pepper.Keywords: ARCH/GARCH, forecasting, red cayenne pepper, volatility, supply chain
Procedia PDF Downloads 1855141 Output-Feedback Control Design for a General Class of Systems Subject to Sampling and Uncertainties
Authors: Tomas Menard
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The synthesis of output-feedback control law has been investigated by many researchers since the last century. While many results exist for the case of Linear Time Invariant systems whose measurements are continuously available, nowadays, control laws are usually implemented on micro-controller, then the measurements are discrete-time by nature. This fact has to be taken into account explicitly in order to obtain a satisfactory behavior of the closed-loop system. One considers here a general class of systems corresponding to an observability normal form and which is subject to uncertainties in the dynamics and sampling of the output. Indeed, in practice, the modeling of the system is never perfect, this results in unknown uncertainties in the dynamics of the model. We propose here an output feedback algorithm which is based on a linear state feedback and a continuous-discrete time observer. The main feature of the proposed control law is that only discrete-time measurements of the output are needed. Furthermore, it is formally proven that the state of the closed loop system exponentially converges toward the origin despite the unknown uncertainties. Finally, the performances of this control scheme are illustrated with simulations.Keywords: dynamical systems, output feedback control law, sampling, uncertain systems
Procedia PDF Downloads 2835140 Student Loan Debt among Students with Disabilities
Authors: Kaycee Bills
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This study will determine if students with disabilities have higher student loan debt payments than other student populations. The hypothesis was that students with disabilities would have significantly higher student loan debt payments than other students due to the length of time they spend in school. Using the Bachelorette and Beyond Study Wave 2015/017 dataset, quantitative methods were employed. These data analysis methods included linear regression and a correlation matrix. Due to the exploratory nature of the study, the significance levels for the overall model and each variable were set at .05. The correlation matrix demonstrated that students with certain types of disabilities are more likely to fall under higher student loan payment brackets than students without disabilities. These results also varied among the different types of disabilities. The result of the overall linear regression model was statistically significant (p = .04). Despite the overall model being statistically significant, the majority of the significance values for the different types of disabilities were null. However, several other variables had statistically significant results, such as veterans, people of minority races, and people who attended private schools. Implications for how this impacts the economy, capitalism, and financial wellbeing of various students are discussed.Keywords: disability, student loan debt, higher education, social work
Procedia PDF Downloads 1685139 Developing a New Relationship between Undrained Shear Strength and Over-Consolidation Ratio
Authors: Wael M Albadri, Hassnen M Jafer, Ehab H Sfoog
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Relationship between undrained shear strength (Su) and over consolidation ratio (OCR) of clay soil (marine clay) is very important in the field of geotechnical engineering to estimate the settlement behaviour of clay and to prepare a small scale physical modelling test. In this study, a relationship between shear strength and OCR parameters was determined using the laboratory vane shear apparatus and the fully automatic consolidated apparatus. The main objective was to establish non-linear correlation formula between shear strength and OCR and comparing it with previous studies. Therefore, in order to achieve this objective, three points were chosen to obtain 18 undisturbed samples which were collected with an increasing depth of 1.0 m to 3.5 m each 0.5 m. Clay samples were prepared under undrained condition for both tests. It was found that the OCR and shear strength are inversely proportional at similar depth and at same undrained conditions. However, a good correlation was obtained from the relationships where the R2 values were very close to 1.0 using polynomial equations. The comparison between the experimental result and previous equation from other researchers produced a non-linear correlation which has a similar pattern with this study.Keywords: shear strength, over-consolidation ratio, vane shear test, clayey soil
Procedia PDF Downloads 2795138 The Use of Stochastic Gradient Boosting Method for Multi-Model Combination of Rainfall-Runoff Models
Authors: Phanida Phukoetphim, Asaad Y. Shamseldin
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In this study, the novel Stochastic Gradient Boosting (SGB) combination method is addressed for producing daily river flows from four different rain-runoff models of Ohinemuri catchment, New Zealand. The selected rainfall-runoff models are two empirical black-box models: linear perturbation model and linear varying gain factor model, two conceptual models: soil moisture accounting and routing model and Nedbør-Afrstrømnings model. In this study, the simple average combination method and the weighted average combination method were used as a benchmark for comparing the results of the novel SGB combination method. The models and combination results are evaluated using statistical and graphical criteria. Overall results of this study show that the use of combination technique can certainly improve the simulated river flows of four selected models for Ohinemuri catchment, New Zealand. The results also indicate that the novel SGB combination method is capable of accurate prediction when used in a combination method of the simulated river flows in New Zealand.Keywords: multi-model combination, rainfall-runoff modeling, stochastic gradient boosting, bioinformatics
Procedia PDF Downloads 3385137 Influence of the Financial Crisis on the Month and the Trading Month Effects: Evidence from the Athens Stock Exchange
Authors: Aristeidis Samitas, Evangelos Vasileiou
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The aim of this study is to examine the month and the trading month effect under changing financial trends. We choose the Greek stock market to implement our assumption because there are clear and long term periods of financial growth and recession. Daily financial data from Athens Exchange General Index for the period 2002-2012 are considered. The paper employs several linear and non-linear models, although the TGARCH asymmetry model best fits in this sample and for this reason we mainly present the TGARCH results. Empirical results show that changing economic and financial conditions influences the calendar effects. Especially, the trading month effect totally changes in each fortnight according to the financial trend. On the other hand, in Greece the January effect exists during the growth periods, although it does not exist when the financial trend changes. The findings are helpful to anybody who invest and deals with the Greek stock market. Moreover, they may pave the way for an alternative calendar anomalies research approach, so it may be useful to investors who take into account these anomalies when they draw their investment strategy.Keywords: month effect, trading month effect, economic cycles, crisis
Procedia PDF Downloads 4155136 Comparative Study of Electronic and Optical Properties of Ammonium and Potassium Dinitramide Salts through Ab-Initio Calculations
Authors: J. Prathap Kumar, G. Vaitheeswaran
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The present study investigates the role of ammonium and potassium ion in the electronic, bonding and optical properties of dinitramide salts due to their stability and non-toxic nature. A detailed analysis of bonding between NH₄ and K with dinitramide, optical transitions from the valence band to the conduction band, absorption spectra, refractive indices, reflectivity, loss function are reported. These materials are well known as oxidizers in solid rocket propellants. In the present work, we use full potential linear augmented plane wave (FP-LAPW) method which is implemented in the Wien2k package within the framework of density functional theory. The standard DFT functional local density approximation (LDA) and generalized gradient approximation (GGA) always underestimate the band gap by 30-40% due to the lack of derivative discontinuities of the exchange-correlation potential with respect to an occupation number. In order to get reliable results, one must use hybrid functional (HSE-PBE), GW calculations and Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. It is very well known that hybrid functionals GW calculations are very expensive, the later methods are computationally cheap. The new developed TB-mBJ functionals use information kinetic energy density along with the charge density employed in DFT. The TB-mBJ functionals cannot be used for total energy calculations but instead yield very much improved band gap. The obtained electronic band gap at gamma point for both the ammonium dinitramide and potassium dinitramide are found to be 2.78 eV and 3.014 eV with GGA functional, respectively. After the inclusion of TB-mBJ, the band gap improved by 4.162 eV for potassium dinitramide and 4.378 eV for ammonium dinitramide. The nature of the band gap is direct in ADN and indirect in KDN. The optical constants such as dielectric constant, absorption, and refractive indices, birefringence values are presented. Overall as there are no experimental studies we present the improved band gap with TB-mBJ functional following with optical properties.Keywords: ammonium dinitramide, potassium dinitramide, DFT, propellants
Procedia PDF Downloads 1555135 Proposing an Algorithm to Cluster Ad Hoc Networks, Modulating Two Levels of Learning Automaton and Nodes Additive Weighting
Authors: Mohammad Rostami, Mohammad Reza Forghani, Elahe Neshat, Fatemeh Yaghoobi
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An Ad Hoc network consists of wireless mobile equipment which connects to each other without any infrastructure, using connection equipment. The best way to form a hierarchical structure is clustering. Various methods of clustering can form more stable clusters according to nodes' mobility. In this research we propose an algorithm, which allocates some weight to nodes based on factors, i.e. link stability and power reduction rate. According to the allocated weight in the previous phase, the cellular learning automaton picks out in the second phase nodes which are candidates for being cluster head. In the third phase, learning automaton selects cluster head nodes, member nodes and forms the cluster. Thus, this automaton does the learning from the setting and can form optimized clusters in terms of power consumption and link stability. To simulate the proposed algorithm we have used omnet++4.2.2. Simulation results indicate that newly formed clusters have a longer lifetime than previous algorithms and decrease strongly network overload by reducing update rate.Keywords: mobile Ad Hoc networks, clustering, learning automaton, cellular automaton, battery power
Procedia PDF Downloads 410