Search results for: molecular dynamics simulation.
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 8800

Search results for: molecular dynamics simulation.

4240 Reliability Analysis of Partial Safety Factor Design Method for Slopes in Granular Soils

Authors: K. E. Daryani, H. Mohamad

Abstract:

Uncertainties in the geo-structure analysis and design have a significant impact on the safety of slopes. Traditionally, uncertainties in the geotechnical design are addressed by incorporating a conservative factor of safety in the analytical model. In this paper, a risk-based approach is adopted to assess the influence of the geotechnical variable uncertainties on the stability of infinite slopes in cohesionless soils using the “partial factor of safety on shear strength” approach as stated in Eurocode 7. Analyses conducted using Monte Carlo simulation show that the same partial factor can have very different levels of risk depending on the degree of uncertainty of the mean values of the soil friction angle and void ratio.

Keywords: Safety, Probability of Failure, Reliability, Infinite Slopes, Sand.

Procedia PDF Downloads 558
4239 A United Nations Safety Compliant Urban Vehicle Design

Authors: Marcelo R. G. Duarte, Marcilio Alves

Abstract:

Pedestrians are the fourth group among road traffic users that most suffer accidents. Their death rate is even higher than the motorcyclists group. This gives motivation for the development of an urban vehicle capable of complying with the United Nations Economic Commission for Europe pedestrian regulations. The conceptual vehicle is capable of transporting two passengers and small parcels for 100 km at a maximum speed of 90 km/h. This paper presents the design of this vehicle using the finite element method specially in connection with frontal crash test and car to pedestrian collision. The simulation is based in a human body FE.

Keywords: electric urban vehicle, finite element method, global human body model, pedestrian safety, road safety

Procedia PDF Downloads 169
4238 Characterization of Enterotoxigenic Escherichia coli CS6 Promoter

Authors: Mondal Indranil, Bhakat Debjyoti, Mukhopadayay Asish K., Chatterjee Nabendu S.

Abstract:

CS6 is the prevalent CF in our region and deciphering its molecular regulators would play a pivotal role in reducing the burden of ETEC pathogenesis. In prokaryotes, most of the genes are under the control of one operon and the promoter present upstream of the gene regulates the transcription of that gene. Here the promoter of CS6 was characterized by computational method and further analyzed by β-galactosidase assay and sequencing. Promoter constructs and deletions were prepared as required to analyze promoter activity. The effect of different additives on the CS6 promoter was analysed by the β-galactosidase assay. Bioinformatics analysis done by Softberry/BPROM predicted fur, lrp, and crp boxes, -10 and -35 region upstream of the CS6 gene. The promoter construction in no promoter plasmid pTL61T showed that region -573 to +1 is actually the promoter region as predicted. Sequential deletion of the region upstream of CS6 revealed that promoter activity remains the same when -573bp to -350bp is deleted. But after the deletion of the upstream region -350 bp to -255bp, promoter expression decreases drastically to 26%. Further deletion also decreases promoter activity up to a little range. So the region -355bp to -255bp holds the promoter sequence for the CS6 gene. Additives like iron, NaCl, etc., modulate promoter activity in a dose-dependent manner. From the promoter analysis, it can be said that the minimum region lies between -254 and +1. Important region(s) lies between -350 bp to -255 bp upstream in the promoter, which might have important elements needed to control CS6 gene expression.

Keywords: microbiology, promoter, colonization factor, ETEC

Procedia PDF Downloads 148
4237 Problems of Innovation Development of Wireless Data Transfer Branch in the Cellular Market of Kazakhstan

Authors: Yessengeldy Kuanyshpayev

Abstract:

Now in some countries of the world the cellular market is on the point of saturation, in others - positive dynamics of development kept on. The reasons for it are also different, but there are united by their general susceptibility to innovation changes, if they are really innovative. If to take as an example the cellular market of Kazakhstan it is defined by the low percent of smart phones at consumers, the low population density, undercapacity of the 3G channel, and absence of universal access to the LTE technology that limits dynamical growth of this branch. These moments are aggravated by failures of starting commercial projects by private companies which prevent to be implemented and widely adopted to a new product among consumers. The object of the research is possible integration of wireless and program technologies at which introduction the idea can regenerate in an innovation. The analysis of existing projects in the market and the possible union of the technologies through a prism of theoretical bases of innovative activity shows that efficiency of the company by development and introduction of innovations is possible only thanks to strict observance of all terms and conditions of the innovative process which main term is profit. Despite that fact that on a global scale the innovativeness issue of companies is very popular, there are no research about possibility of innovative breaks in the field of wireless access to the Internet in the cellular market of Kazakhstan.

Keywords: innovation, the effectiveness of company, commercialization, cellular market

Procedia PDF Downloads 367
4236 Multi-Generational Analysis of Perception and Acceptance of Mental Illnesses: Current Indian Context

Authors: Anvi Kumar

Abstract:

This paper explores the attitudes and awareness of multiple generations ranging from Boomers I to GenZ (i.e. from 1954 to 2012) towards mental health issues. A convenient sample of 191 people was gathered in India aged 11-77. 20 people each were considered from 5 generational cohorts, namely- Boomers I, Boomers II, Gen X, Millennials, and Gen Z. The study tool comprised a survey that included demographic questions and the Community Attitude towards Mental Illness (CAMI) scale by Taylor & Dear (1981). Descriptive statistics, ANOVA, and Bonferonni’s post-hoc analysis have been used to perform the analysis. The findings reveal that the level of kindness towards those who struggle with mental health varies through certain age groups. An overall sense of exclusion of those struggling with mental health is prevalent among all age groups. GenZ’s awareness of mental health issues is primarily via social media, as against the rest of the generations seeking it from close relatives and friends. The study’s findings suggest a need to investigate further the quality of mental health knowledge content and its consumption pattern. Understanding the dynamics of information sharing and the potential for biases requires further discovery.

Keywords: attitude, behaviour, mental illness, Gen Z, millennials, Gen Y, multi-generations, generational differences

Procedia PDF Downloads 58
4235 Tail-Binding Effect of Kinesin-1 Auto Inhibition Using Elastic Network Model

Authors: Hyun Joon Chang, Jae In Kim, Sungsoo Na

Abstract:

Kinesin-1 (hereafter called kinesin) is a molecular motor protein that moves cargos toward the end of microtubules using the energy of adenosine triphosphate (ATP) hydrolysis. When kinesin is inactive, its tail autoinhibits the motor chain in order to prevent from reacting with the ATP by cross-linking of the tail domain to the motor domains at two positions. However, the morphological study of kinesin during autoinhibition is yet remained obscured. In this study, we report the effect of the binding site of the tail domain using the normal mode analysis of the elastic network model on kinesin in the tail-free form and tail-bind form. Considering the relationship between the connectivity of conventional network model with respect to the cutoff length and the functionality of the binding site of the tail, we revaluated the network model to observe the key role of the tail domain in its structural aspect. Contingent on the existence of the tail domain, the results suggest the morphological stability of the motor domain. Furthermore, employing the results from normal mode analysis, we have determined the strain energy of the neck linker, an essential portion of the motor domain for ATP hydrolysis. The results of the neck linker also converge to the same indication, i.e. the morphological analysis of the motor domain.

Keywords: elastic network model, Kinesin-1, autoinhibition

Procedia PDF Downloads 434
4234 Multiscale Edge Detection Based on Nonsubsampled Contourlet Transform

Authors: Enqing Chen, Jianbo Wang

Abstract:

It is well known that the wavelet transform provides a very effective framework for multiscale edges analysis. However, wavelets are not very effective in representing images containing distributed discontinuities such as edges. In this paper, we propose a novel multiscale edge detection method in nonsubsampled contourlet transform (NSCT) domain, which is based on the dominant multiscale, multidirection edge expression and outstanding edge location of NSCT. Through real images experiments, simulation results demonstrate that the proposed method is better than other edge detection methods based on Canny operator, wavelet and contourlet. Additionally, the proposed method also works well for noisy images.

Keywords: edge detection, NSCT, shift invariant, modulus maxima

Procedia PDF Downloads 474
4233 Control of Chaotic Behaviour in Parallel-Connected DC-DC Buck-Boost Converters

Authors: Ammar Nimer Natsheh

Abstract:

Chaos control is used to design a controller that is able to eliminate the chaotic behaviour of nonlinear dynamic systems that experience such phenomena. The paper describes the control of the bifurcation behaviour of a parallel-connected DC-DC buck-boost converter used to provide an interface between energy storage batteries and photovoltaic (PV) arrays as renewable energy sources. The paper presents a delayed feedback control scheme in a module converter comprises two identical buck-boost circuits and operates in the continuous-current conduction mode (CCM). MATLAB/SIMULINK simulation results show the effectiveness and robustness of the scheme.

Keywords: chaos, bifurcation, DC-DC Buck-Boost Converter, Delayed Feedback Control

Procedia PDF Downloads 415
4232 Nonclassical Antifolates: Synthesis, Biological Evaluation and Molecular Modeling Study of Some New Quinazolin-4-One Analogues as Dihydrofolate Reductase Inhibitors

Authors: Yomna Ibrahim El-Gazzar, Hussien Ibrahim El-Subbagh, Hanan Hanaa Georgey, Ghada S. Hassan Hassan

Abstract:

Dihydrofolate reductase (DHFR) is an enzyme that has pivotal importance in biochemistry and medicinal chemistry. It catalyzes the reduction of dihydrofolate to tetrahydrofolate and intimately couples with thymidylate synthase. Thymidylate synthase is a crucial enzyme that catalyzes the reductive methylation of (dUMP) to (dTMP) utilizing N5, N10-methylenetetrahydrofolate as a cofactor. A new series of 2-substituted thio-quinazolin-4-one analogs was designed that possessed electron withdrawing or donating functional groups (Cl or OCH3) at position 6- or 7-, 4-methoxyphenyl function at position 3-.The thiol function is used to connect to either 1,2,4-triazole, or 1,3,4-thiadiazole via a methylene bridge. Most of the functional groups designed to be accommodated on the quinazoline ring such as thioether, alkyl to increase lipid solubility of polar compounds, a character very much needed in the nonclassical DHFR inhibitors. The target compounds were verified with spectral data and elemental analysis. DHFR inhibitions, as well as antitumor activity, were applied on three cell lines (MCF-7, CACO-2, HEPG-2).

Keywords: nonclassical antifolates, DHFR Inhibitors, antitumor activity, quinazoline ring

Procedia PDF Downloads 368
4231 Isolation and Identification of Diacylglycerol Acyltransferase Type-2 (GAT2) Genes from Three Egyptian Olive Cultivars

Authors: Yahia I. Mohamed, Ahmed I. Marzouk, Mohamed A. Yacout

Abstract:

Aim of this work was to study the genetic basis for oil accumulation in olive fruit via tracking DGAT2 (Diacylglycerol acyltransferase type-2) gene in three Egyptian Origen Olive cultivars namely Toffahi, Hamed and Maraki using molecular marker techniques and bioinformatics tools. Results illustrate that, firstly: specific genomic band of Maraki cultivars was identified as DGAT2 (Diacylglycerol acyltransferase type-2) and identical for this gene in Olea europaea with 100 % of similarity. Secondly, differential genomic band of Maraki cultivars which produced from RAPD fingerprinting technique reflected predicted distinguished sequence which identified as DGAT2 (Diacylglycerol acyltransferase type-2) in Fragaria vesca subsp. Vesca with 76% of sequential similarity. Third and finally, specific genomic specific band of Hamed cultivars was indentified as two fragments, 1-Olea europaea cultivar Koroneiki diacylglycerol acyltransferase type 2 mRNA, complete cds with two matches regions with 99% or 2-PREDICTED: Fragaria vesca subsp. vesca diacylglycerol O-acyltransferase 2-like (LOC101313050), mRNA with 86% of similarity.

Keywords: Olea europaea, fingerprinting, diacylglycerol acyltransferase type-2 (DGAT2), Egypt

Procedia PDF Downloads 478
4230 Nano-Particle of π-Conjugated Polymer for Near-Infrared Bio-Imaging

Authors: Hiroyuki Aoki

Abstract:

Molecular imaging has attracted much attention recently, which visualizes biological molecules, cells, tissue, and so on. Among various in vivo imaging techniques, the fluorescence imaging method has been widely employed as a useful modality for small animals in pre-clinical researches. However, the higher signal intensity is needed for highly sensitive in vivo imaging. The objective of the current study is the development of a fluorescent imaging agent with high brightness for the tumor imaging of a mouse. The strategy to enhance the fluorescence signal of a bio-imaging agent is the increase of the absorption of the excitation light and the fluorescence conversion efficiency. We developed a nano-particle fluorescence imaging agent consisting of a π-conjugated polymer emitting a fluorescence signal in a near infrared region. A large absorption coefficient and high emission intensity at a near infrared optical window for biological tissue enabled highly sensitive in vivo imaging with a tumor-targeting ability by an EPR (enhanced permeation and retention) effect. The signal intensity from the π-conjugated fluorescence imaging agent is larger by two orders of magnitude compared to a quantum dot, which has been known as the brightest imaging agent. The π-conjugated polymer nano-particle would be a promising candidate in the in vivo imaging of small animals.

Keywords: fluorescence, conjugated polymer, in vivo imaging, nano-particle, near-infrared

Procedia PDF Downloads 455
4229 Predatory Rule and the Rise of Military Coups: Insights From the 2020 Malian Case

Authors: Deretha Bester

Abstract:

This research employs a theoretical framework to investigate the interplay between factors that lead from predatory governance and predatory rule to military coups, utilizing the frustration-aggression theory as its guiding lens. It adopts a case-oriented approach and employs thematic analysis to examine the socio-economic, governance, and political environment that precipitated the August 2020 Malian military coup. Presenting seven key themes, it reveals how predatory rule and its manifestation in the Malian context was a critical factor in paving the way for the military coup. The study provides critical reflections into the historical, regional, and political dynamics reshaping Africa’s changing political landscape. It presents a conceptual model to comprehend how predatory governance fosters conditions favorable for military coups. Insights from the Malian case study offer valuable perspectives for analyzing events in comparable contexts. This understanding is crucial for grasping the precursors and impact of predatory rule and popular frustrations in contexts where military coups emerge.

Keywords: predatory rule, military coups, socio-political analysis, frustration-aggression theory, Mali

Procedia PDF Downloads 40
4228 Sepiolite as a Processing Aid in Fibre Reinforced Cement Produced in Hatschek Machine

Authors: R. Pérez Castells, J. M. Carbajo

Abstract:

Sepiolite is used as a processing aid in the manufacture of fibre cement from the start of the replacement of asbestos in the 80s. Sepiolite increases the inter-laminar bond between cement layers and improves homogeneity of the slurries. A new type of sepiolite processed product, Wollatrop TF/C, has been checked as a retention agent for fine particles in the production of fibre cement in a Hatschek machine. The effect of Wollatrop T/FC on filtering and fine particle losses was studied as well as the interaction with anionic polyacrylamide and microsilica. The design of the experiments were factorial and the VDT equipment used for measuring retention and drainage was modified Rapid Köethen laboratory sheet former. Wollatrop TF/C increased the fine particle retention improving the economy of the process and reducing the accumulation of solids in recycled process water. At the same time, drainage time increased sharply at high concentration, however drainage time can be improved by adjusting APAM concentration. Wollatrop TF/C and microsilica are having very small interactions among them. Microsilica does not control fine particle losses while Wollatrop TF/C does efficiently. Further research on APAM type (molecular weight and anionic character) is advisable to improve drainage.

Keywords: drainage, fibre-reinforced cement, fine particle losses, flocculation, microsilica, sepiolite

Procedia PDF Downloads 313
4227 Phase Control in Population Inversion Using Chirped Laser

Authors: Avijit Datta

Abstract:

We have presented a phase control scheme in population transfer using chirped laser fields. A chirped pulse can do population transfer from one level to another level via adiabatic rapid passage accessible by one photon dipole transition. We propose to use a pair of phase-locked chirped pulses of the same frequency w(t) instead of a singly chirped-pulse frequency w(t). Simultaneous action of phase controlled interference in addition to rapid adiabatic passages due to chirped pulses lead to phase control over this population transfer dynamics. We have demonstrated the proposed phase control scheme over the population distribution from the initial level X(v=0,j=0) to C(v=2,j=1) level of hydrogen molecule using a pair of phase-locked and similarly chirped laser pulses. We have extended this two-level system to three-level 1+1 ladder system of hydrogen molecule from X level to final J(v=2,j=2) level via C intermediate level using two pairs of laser pulses having frequencies w(t) and w'(t) respectively and obtained laudable control over the population distribution among three levels. We also have presented some results of interference effects of w₁(t) and its third harmonics w₃(t).

Keywords: phase control, population transfer, chirped laser pulses, rapid adiabatic passage, laser-molecule interaction

Procedia PDF Downloads 344
4226 Distance Protection Performance Analysis

Authors: Abdelsalam Omar

Abstract:

This paper presents simulation-based case study that indicate the need for accurate dynamic modeling of distance protection relay. In many cases, a static analysis based on current and voltage phasors may be sufficient to assess the performance of distance protection. There are several circumstances under which such a simplified study does not provide the depth of analysis necessary to obtain accurate results, however. This letter present study of the influences of magnetizing inrush and power swing on the performance of distance protection relay. One type of numerical distance protection relay has been investigated: 7SA511. The study has been performed in order to demonstrate the relay response when dynamic model of distance relay is utilized.

Keywords: distance protection, magnitizing inrush, power swing, dynamic model of protection relays, simulatio

Procedia PDF Downloads 466
4225 Laboratory and Numerical Hydraulic Modelling of Annular Pipe Electrocoagulation Reactors

Authors: Alejandra Martin-Dominguez, Javier Canto-Rios, Velitchko Tzatchkov

Abstract:

Electrocoagulation is a water treatment technology that consists of generating coagulant species in situ by electrolytic oxidation of sacrificial anode materials triggered by electric current. It removes suspended solids, heavy metals, emulsified oils, bacteria, colloidal solids and particles, soluble inorganic pollutants and other contaminants from water, offering an alternative to the use of metal salts or polymers and polyelectrolyte addition for breaking stable emulsions and suspensions. The method essentially consists of passing the water being treated through pairs of consumable conductive metal plates in parallel, which act as monopolar electrodes, commonly known as ‘sacrificial electrodes’. Physicochemical, electrochemical and hydraulic processes are involved in the efficiency of this type of treatment. While the physicochemical and electrochemical aspects of the technology have been extensively studied, little is known about the influence of the hydraulics. However, the hydraulic process is fundamental for the reactions that take place at the electrode boundary layers and for the coagulant mixing. Electrocoagulation reactors can be open (with free water surface) and closed (pressurized). Independently of the type of rector, hydraulic head loss is an important factor for its design. The present work focuses on the study of the total hydraulic head loss and flow velocity and pressure distribution in electrocoagulation reactors with single or multiple concentric annular cross sections. An analysis of the head loss produced by hydraulic wall shear friction and accessories (minor head losses) is presented, and compared to the head loss measured on a semi-pilot scale laboratory model for different flow rates through the reactor. The tests included laminar, transitional and turbulent flow. The observed head loss was compared also to the head loss predicted by several known conceptual theoretical and empirical equations, specific for flow in concentric annular pipes. Four single concentric annular cross section and one multiple concentric annular cross section reactor configuration were studied. The theoretical head loss resulted higher than the observed in the laboratory model in some of the tests, and lower in others of them, depending also on the assumed value for the wall roughness. Most of the theoretical models assume that the fluid elements in all annular sections have the same velocity, and that flow is steady, uniform and one-dimensional, with the same pressure and velocity profiles in all reactor sections. To check the validity of such assumptions, a computational fluid dynamics (CFD) model of the concentric annular pipe reactor was implemented using the ANSYS Fluent software, demonstrating that pressure and flow velocity distribution inside the reactor actually is not uniform. Based on the analysis, the equations that predict better the head loss in single and multiple annular sections were obtained. Other factors that may impact the head loss, such as the generation of coagulants and gases during the electrochemical reaction, the accumulation of hydroxides inside the reactor, and the change of the electrode material with time, are also discussed. The results can be used as tools for design and scale-up of electrocoagulation reactors, to be integrated into new or existing water treatment plants.

Keywords: electrocoagulation reactors, hydraulic head loss, concentric annular pipes, computational fluid dynamics model

Procedia PDF Downloads 206
4224 Batteryless DCM Boost Converter for Kinetic Energy Harvesting Applications

Authors: Andrés Gomez-Casseres, Rubén Contreras

Abstract:

In this paper, a bidirectional boost converter operated in Discontinuous Conduction Mode (DCM) is presented as a suitable power conditioning circuit for tuning of kinetic energy harvesters without the need of a battery. A nonlinear control scheme, composed by two linear controllers, is used to control the average value of the input current, enabling the synthesization of complex loads. The converter, along with the control system, is validated through SPICE simulations using the LTspice tool. The converter model and the controller transfer functions are derived. From the simulation results, it was found that the input current distortion increases with the introduced phase shift and that, such distortion, is almost entirely present at the zero-crossing point of the input voltage.

Keywords: average current control, boost converter, electrical tuning, energy harvesting

Procedia PDF Downloads 740
4223 Cooperative Communication of Energy Harvesting Synchronized-OOK IR-UWB Based Tags

Authors: M. A. Mulatu, L. C. Chang, Y. S. Han

Abstract:

Energy harvesting tags with cooperative communication capabilities are emerging as possible infrastructure for internet of things (IoT) applications. This paper studies about the \ cooperative transmission strategy for a network of energy harvesting active networked tags (EnHANTs), that is adapted to the available energy resource and identification request. We consider a network of EnHANT-equipped objects to communicate with the destination either directly or by cooperating with neighboring objects. We formulate the the problem as a Markov decision process (MDP) under synchronised On/Off keying (S-OOK) pulse modulation format. The simulation results are provided to show the the performance of the cooperative transmission policy and compared against the greedy and conservative policies of single-link transmission.

Keywords: cooperative communication, transmission strategy, energy harvesting, Markov decision process, value iteration

Procedia PDF Downloads 476
4222 Assessing Vertical Distribution of Soil Organic Carbon Stocks in Westleigh Soil under Shrub Encroached Rangeland, Limpopo Province, South Africa

Authors: Abel L. Masotla, Phesheya E. Dlamini, Vusumuzi E. Mbanjwa

Abstract:

Accurate quantification of the vertical distribution of soil organic carbon (SOC) in relation to land cover transformations, associated with shrub encroachment is crucial because deeper lying horizons have been shown to have greater capacity to sequester SOC. Despite this, in-depth soil carbon dynamics remain poorly understood, especially in arid and semi-arid rangelands. The objective of this study was to quantify and compare the vertical distribution of soil organic carbon stocks (SOCs) in shrub-encroached and open grassland sites. To achieve this, soil samples were collected vertically at 10 cm depth intervals under both sites. The results showed that SOC was on average 19% and 13% greater in the topsoil and subsoil respectively, under shrub-encroached grassland compared to open grassland. In both topsoil and subsoil, lower SOCs were found under shrub-encroached (4.53 kg m⁻² and 3.90 kgm⁻²) relative to open grassland (4.39 kgm⁻² and 3.67 kgm⁻²). These results demonstrate that deeper soil horizon play a critical role in the storage of SOC in savanna grassland.

Keywords: savanna grasslands, shrub-encroachment, soil organic carbon, vertical distribution

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4221 Norm Evolution through Contestation: Role of Legality from Humanitarian Intervention to Responsibility to Protect

Authors: Nazlı Üstünes Demirhan

Abstract:

International norms are subject to pressures of change through contestation during the course of their lifetimes. The nature of the contestation is one of the factors that are likely to have a determinative role in the direction of this change towards a stronger or weaker norm. This paper aims to understand the relation between the legality of contestation and the direction of change in norm strength. Based on a multidimensional norm strength conceptualization, it is hypothesized that use of legal logic and rhetoric of argumentation would have a positive influence for norm strength, whereas non-legal nature of contestation would lack this and weaken the norm. In order to show this, the evolution of the human protection norm between 1999 and 2018 will be examined with reference to two major contestation periods; Kosovo intervention of 1999, which led to the development of R2P doctrine, and Libya intervention of 2011, which is followed by the demise of the norm. The comparative analysis will be conducted through process tracing method with a document analysis on the Security Council meeting minutes, resolutions, and press releases. This study aims to contribute to the norm contestation literature with the introduction of legal process analysis. It also relates to further questions in IR/IL nexus, relating to the value added of norm legality as well as the politics of legalization.

Keywords: humanitarian intervention, legality, norm contestation, norm dynamics, norm strength, responsibility to protect

Procedia PDF Downloads 138
4220 Theoretical and Experimental Electrostatic Parameters Determination of 4-Methyl-N-[(5- Nitrothiophen-2-Ylmethylidene)] Aniline Compound

Authors: N. Boukabcha, Y. Megrouss, N. Benhalima, S. Yahiaoui, A. Chouaih, F. Hamzaoui

Abstract:

We present the electron density analysis of organic compound 4-methyl-N-[(5- nitrothiophen-2-ylmethylidene)] aniline with chemical formula C12H10N2O2S. Indeed, determining the electrostatic properties of nonlinear optical organic compounds requires knowledge of the distribution of the electron density with high precision. On the other hand, a structural analysis is performed. Two methods are used to obtain the structure, X-ray diffraction and theoretical calculation with density functional theory (DFT). The electron density study is performed using the Mopro program1503 based on the multipolar model of Hansen and Coppens. Electron density analysis allows determination of the value and orientation of the dipole moment. The net atomic charges, electrostatic potential and the molecular dipole moment have been determined in order to understand the nature of inter- and intramolecular charge transfer. The study reveals the nature of intermolecular interactions including charge transfer and hydrogen bonds in the title compound. Crystallographic data: monoclinic system - space group P21 / n. Celle parameters: a = 4.7606 (4) Å, b = 22.415 (2) Å, c = 10.7008 (15) Å, β = 92.566 (13) 0, V = 1140.7 (2) Å3, Z = 4, R = 0.0034 for 2693 observed reflections.

Keywords: electron density, dipole moment, electrostatic potential, DFT, Mopro

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4219 Acceleration of Lagrangian and Eulerian Flow Solvers via Graphics Processing Units

Authors: Pooya Niksiar, Ali Ashrafizadeh, Mehrzad Shams, Amir Hossein Madani

Abstract:

There are many computationally demanding applications in science and engineering which need efficient algorithms implemented on high performance computers. Recently, Graphics Processing Units (GPUs) have drawn much attention as compared to the traditional CPU-based hardware and have opened up new improvement venues in scientific computing. One particular application area is Computational Fluid Dynamics (CFD), in which mature CPU-based codes need to be converted to GPU-based algorithms to take advantage of this new technology. In this paper, numerical solutions of two classes of discrete fluid flow models via both CPU and GPU are discussed and compared. Test problems include an Eulerian model of a two-dimensional incompressible laminar flow case and a Lagrangian model of a two phase flow field. The CUDA programming standard is used to employ an NVIDIA GPU with 480 cores and a C++ serial code is run on a single core Intel quad-core CPU. Up to two orders of magnitude speed up is observed on GPU for a certain range of grid resolution or particle numbers. As expected, Lagrangian formulation is better suited for parallel computations on GPU although Eulerian formulation represents significant speed up too.

Keywords: CFD, Eulerian formulation, graphics processing units, Lagrangian formulation

Procedia PDF Downloads 388
4218 Analysis of Bio-Oil Produced from Sugar Cane Bagasse Pyrolysis

Authors: D. S. Fardhyanti, M. Megawati, H. Prasetiawan, U. Mediaty

Abstract:

Currently, fossil fuel is supplying most of world’s energy resources. However, fossil fuel resources are depleted rapidly and require an alternative energy to overcome the increasing of energy demands. Bio-oil is one of a promising alternative renewable energy resources which is converted from biomass through pyrolysis or fast pyrolysis process. Bio-oil is a dark liquid fuel, has a smelling smoke and usually obtained from sugar cane, wood, coconut shell and any other biomass. Sugar cane content analysis showed that the content of oligosaccharide, hemicellulose, cellulose and lignin was 16.69%, 25.66%, 51.27% and 6.38% respectively. Sugar cane is a potential sources for bio-oil production shown by its high content of cellulose. In this study, production of bio-oil from sugar cane bagasse was investigated via fast pyrolysis reactor. Fast pyrolysis was carried out at 500 °C with a heating rate of 10 °C and 1 hour holding time at pyrolysis temperature. Physical properties and chemical composition of bio-oil were analyzed. The viscosity, density, calorific value and molecular weight of produced bio-oil was 3.12 cp, 2.78 g/cm3, 11,048.44 cals/g, and 222.67 respectively. The Bio-oil chemical composition was investigated using GC-MS. Percentage value of furfural, phenol, 3-methyl 1,2-cyclopentanedione, 5-methyl-3-methylene 5-hexen-2-one, 4-methyl phenol, 4-ethyl phenol, 1,2-benzenediol, and 2,6-dimethoxy phenol was 20.76%, 16.42%, 10.86%, 7.54%, 7.05%, 7.72%, 5.27% and 6.79% respectively.

Keywords: bio-oil, pyrolysis, bagasse, sugar cane, gas chromatography-mass spectroscopy

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4217 Numerical Design and Characterization of MOVPE Grown Nitride Based Semiconductors

Authors: J. Skibinski, P. Caban, T. Wejrzanowski, K. J. Kurzydlowski

Abstract:

In the present study numerical simulations of epitaxial growth of gallium nitride in Metal Organic Vapor Phase Epitaxy reactor AIX-200/4RF-S are addressed. The aim of this study was to design the optimal fluid flow and thermal conditions for obtaining the most homogeneous product. Since there are many agents influencing reactions on the crystal growth area such as temperature, pressure, gas flow or reactor geometry, it is difficult to design optimal process. Variations of process pressure and hydrogen mass flow rates have been considered. According to the fact that it’s impossible to determine experimentally the exact distribution of heat and mass transfer inside the reactor during crystal growth, detailed 3D modeling has been used to get an insight of the process conditions. Numerical simulations allow to understand the epitaxial process by calculation of heat and mass transfer distribution during growth of gallium nitride. Including chemical reactions in the numerical model allows to calculate the growth rate of the substrate. The present approach has been applied to enhance the performance of AIX-200/4RF-S reactor.

Keywords: computational fluid dynamics, finite volume method, epitaxial growth, gallium nitride

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4216 Aeroelastic Analysis of Engine Nacelle Strake Considering Geometric Nonlinear Behavior

Authors: N. Manoj

Abstract:

The aeroelastic behavior of engine nacelle strake when subjected to unsteady aerodynamic flows is investigated in this paper. Geometric nonlinear characteristics and modal parameters of nacelle strake are studied when it is under dynamic loading condition. Here, an N-S based Finite Volume solver is coupled with Finite Element (FE) based nonlinear structural solver to investigate the nonlinear characteristics of nacelle strake over a range of dynamic pressures at various phases of flight like takeoff, climb, and cruise conditions. The combination of high fidelity models for both aerodynamics and structural dynamics is used to predict the nonlinearities of strake (chine). The methodology adopted for present aeroelastic analysis is partitioned-based time domain coupled CFD and CSD solvers and it is validated by the consideration of experimental and numerical comparison of aeroelastic data for a cropped delta wing model which has a proven record. The present strake geometry is derived from theoretical formulation. The amplitude and frequency obtained from the coupled solver at various dynamic pressures is discussed, which gives a better understanding of its impact on aerodynamic design-sizing of strake.

Keywords: aeroelasticity, finite volume, geometric nonlinearity, limit cycle oscillations, strake

Procedia PDF Downloads 275
4215 Computational Analysis of the Scaling Effects on the Performance of an Axial Compressor

Authors: Junting Xiang, Jörg Uwe Schlüter, Fei Duan

Abstract:

The miniaturization of gas turbines promises many advantages. Miniature gas turbines can be used for local power generation or the propulsion of small aircraft, such as UAV and MAV. However, experience shows that the miniaturization of conventional gas turbines, which are optimized at their current large size, leads to a substantial loss of efficiency and performance at smaller scales. This may be due to a number of factors, such as the Reynolds-number effect, the increased heat transfer, and manufacturing tolerances. In the present work, we focus on computational investigations of the Reynolds number effect and the wall heat transfer on the performance of axial compressor during its size change. The NASA stage 35 compressors are selected as the configuration in this study and Computational Fluid Dynamics (CFD) is used to carry out the miniaturization process and simulations. We perform parameter studies on the effect of Reynolds number and wall thermal conditions. Our results indicate a decrease of efficiency, if the compressor is miniaturized based on its original geometry due to the increase of viscous effects. The increased heat transfer through wall has only a small effect and will actually benefit compressor performance based on our study.

Keywords: axial compressor, CFD, heat transfer, miniature gas turbines, Reynolds number

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4214 An Analytical Metric and Process for Critical Infrastructure Architecture System Availability Determination in Distributed Computing Environments under Infrastructure Attack

Authors: Vincent Andrew Cappellano

Abstract:

In the early phases of critical infrastructure system design, translating distributed computing requirements to an architecture has risk given the multitude of approaches (e.g., cloud, edge, fog). In many systems, a single requirement for system uptime / availability is used to encompass the system’s intended operations. However, when architected systems may perform to those availability requirements only during normal operations and not during component failure, or during outages caused by adversary attacks on critical infrastructure (e.g., physical, cyber). System designers lack a structured method to evaluate availability requirements against candidate system architectures through deep degradation scenarios (i.e., normal ops all the way down to significant damage of communications or physical nodes). This increases risk of poor selection of a candidate architecture due to the absence of insight into true performance for systems that must operate as a piece of critical infrastructure. This research effort proposes a process to analyze critical infrastructure system availability requirements and a candidate set of systems architectures, producing a metric assessing these architectures over a spectrum of degradations to aid in selecting appropriate resilient architectures. To accomplish this effort, a set of simulation and evaluation efforts are undertaken that will process, in an automated way, a set of sample requirements into a set of potential architectures where system functions and capabilities are distributed across nodes. Nodes and links will have specific characteristics and based on sampled requirements, contribute to the overall system functionality, such that as they are impacted/degraded, the impacted functional availability of a system can be determined. A machine learning reinforcement-based agent will structurally impact the nodes, links, and characteristics (e.g., bandwidth, latency) of a given architecture to provide an assessment of system functional uptime/availability under these scenarios. By varying the intensity of the attack and related aspects, we can create a structured method of evaluating the performance of candidate architectures against each other to create a metric rating its resilience to these attack types/strategies. Through multiple simulation iterations, sufficient data will exist to compare this availability metric, and an architectural recommendation against the baseline requirements, in comparison to existing multi-factor computing architectural selection processes. It is intended that this additional data will create an improvement in the matching of resilient critical infrastructure system requirements to the correct architectures and implementations that will support improved operation during times of system degradation due to failures and infrastructure attacks.

Keywords: architecture, resiliency, availability, cyber-attack

Procedia PDF Downloads 78
4213 ML-Based Blind Frequency Offset Estimation Schemes for OFDM Systems in Non-Gaussian Noise Environments

Authors: Keunhong Chae, Seokho Yoon

Abstract:

This paper proposes frequency offset (FO) estimation schemes robust to the non-Gaussian noise for orthogonal frequency division multiplexing (OFDM) systems. A maximum-likelihood (ML) scheme and a low-complexity estimation scheme are proposed by applying the probability density function of the cyclic prefix of OFDM symbols to the ML criterion. From simulation results, it is confirmed that the proposed schemes offer a significant FO estimation performance improvement over the conventional estimation scheme in non-Gaussian noise environments.

Keywords: frequency offset, cyclic prefix, maximum-likelihood, non-Gaussian noise, OFDM

Procedia PDF Downloads 460
4212 Coding of RMAC and Its Theoretical and Simulation-Based Performance Comparison with SMAC

Authors: Hamida Qumber Ali, Waseem Muhammad Arain, Shama Siddiqui, Sayeed Ghani

Abstract:

We present an implementing of RMAC in TinyOS 1.x. RMAC is a cross layer and Duty-cycle MAC protocols that was proposed to provide energy efficient transmission services for wireless sensor networks. The protocol has a unique and efficient packet transmission scheduling mechanism that enables it to overcome delivery latency and overcome traffic congestion. Design details and implementation challenges are divulged. Experiments are conducted to show the correctness of our implementation with numerous assumptions. Simulations are performed to compare the performance of RMAC and SMAC. Our results show that RMAC outperforms SMAC in energy efficiency and delay.

Keywords: MAC protocol, performance, RMAC, wireless sensor networks

Procedia PDF Downloads 298
4211 Feasibility Study of the Quadcopter Propeller Vibrations for the Energy Production

Authors: Nneka Osuchukwu, Leonid Shpanin

Abstract:

The concept of converting the kinetic energy of quadcopter propellers into electrical energy is considered in this contribution following the feasibility study of the propeller vibrations, theoretical energy conversion, and simulation techniques. Analysis of the propeller vibration performance is presented via graphical representation of calculated and simulated parameters, in order to demonstrate the possibility of recovering the harvested energy from the propeller vibrations of the quadcopter while the quadcopter is in operation. Consideration of using piezoelectric materials in such concept, converting the mechanical energy of the propeller into the electrical energy, is given. Photographic evidence of the propeller in operation is presented and discussed together with experimental results to validate the theoretical concept.

Keywords: energy harvesting, piezoelectric material, propeller vibration, unmanned aerial vehicle

Procedia PDF Downloads 454