Search results for: computational study
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 50679

Search results for: computational study

49599 Iris Feature Extraction and Recognition Based on Two-Dimensional Gabor Wavelength Transform

Authors: Bamidele Samson Alobalorun, Ifedotun Roseline Idowu

Abstract:

Biometrics technologies apply the human body parts for their unique and reliable identification based on physiological traits. The iris recognition system is a biometric–based method for identification. The human iris has some discriminating characteristics which provide efficiency to the method. In order to achieve this efficiency, there is a need for feature extraction of the distinct features from the human iris in order to generate accurate authentication of persons. In this study, an approach for an iris recognition system using 2D Gabor for feature extraction is applied to iris templates. The 2D Gabor filter formulated the patterns that were used for training and equally sent to the hamming distance matching technique for recognition. A comparison of results is presented using two iris image subjects of different matching indices of 1,2,3,4,5 filter based on the CASIA iris image database. By comparing the two subject results, the actual computational time of the developed models, which is measured in terms of training and average testing time in processing the hamming distance classifier, is found with best recognition accuracy of 96.11% after capturing the iris localization or segmentation using the Daughman’s Integro-differential, the normalization is confined to the Daugman’s rubber sheet model.

Keywords: Daugman rubber sheet, feature extraction, Hamming distance, iris recognition system, 2D Gabor wavelet transform

Procedia PDF Downloads 61
49598 Payload Bay Berthing of an Underwater Vehicle With Vertically Actuated Thrusters

Authors: Zachary Cooper-Baldock, Paulo E. Santos, Russell S. A. Brinkworth, Karl Sammut

Abstract:

In recent years, large unmanned underwater vehicles such as the Boeing Voyager and Anduril Ghost Shark have been developed. These vessels can be structured to contain onboard internal payload bays. These payload bays can serve a variety of purposes – including the launch and recovery (LAR) of smaller underwater vehicles. The LAR of smaller vessels is extremely important, as it enables transportation over greater distances, increased time on station, data transmission and operational safety. The larger vessel and its payload bay structure complicate the LAR of UUVs in contrast to static docks that are affixed to the seafloor, as they actively impact the local flow field. These flow field impacts require analysis to determine if UUV vessels can be safely launched and recovered inside the motherships. This research seeks to determine the hydrodynamic forces exerted on a vertically over-actuated, small, unmanned underwater vehicle (OUUV) during an internal LAR manoeuvre and compare this to an under-actuated vessel (UUUV). In this manoeuvre, the OUUV is navigated through the stern wake region of the larger vessel to a set point within the internal payload bay. The manoeuvre is simulated using ANSYS Fluent computational fluid dynamics models, covering the entire recovery of the OUUV and UUUV. The analysis of the OUUV is compared against the UUUV to determine the differences in the exerted forces. Of particular interest are the drag, pressure, turbulence and flow field effects exerted as the OUUV is driven inside the payload bay of the larger vessel. The hydrodynamic forces and flow field disturbances are used to determine the feasibility of making such an approach. From the simulations, it was determined that there was no significant detrimental physical forces, particularly with regard to turbulence. The flow field effects exerted by the OUUV are significant. The vertical thrusters exert significant wake structures, but their orientation ensures the wake effects are exerted below the UUV, minimising the impact. It was also seen that OUUV experiences higher drag forces compared to the UUUV, which will correlate to an increased energy expenditure. This investigation found no key indicators that recovery via a mothership payload bay was not feasible. The turbulence, drag and pressure phenomenon were of a similar magnitude to existing static and towed dock structures.

Keywords: underwater vehicles, submarine, autonomous underwater vehicles, AUV, computational fluid dynamics, flow fields, pressure, turbulence, drag

Procedia PDF Downloads 82
49597 An Efficient Algorithm for Solving the Transmission Network Expansion Planning Problem Integrating Machine Learning with Mathematical Decomposition

Authors: Pablo Oteiza, Ricardo Alvarez, Mehrdad Pirnia, Fuat Can

Abstract:

To effectively combat climate change, many countries around the world have committed to a decarbonisation of their electricity, along with promoting a large-scale integration of renewable energy sources (RES). While this trend represents a unique opportunity to effectively combat climate change, achieving a sound and cost-efficient energy transition towards low-carbon power systems poses significant challenges for the multi-year Transmission Network Expansion Planning (TNEP) problem. The objective of the multi-year TNEP is to determine the necessary network infrastructure to supply the projected demand in a cost-efficient way, considering the evolution of the new generation mix, including the integration of RES. The rapid integration of large-scale RES increases the variability and uncertainty in the power system operation, which in turn increases short-term flexibility requirements. To meet these requirements, flexible generating technologies such as energy storage systems must be considered within the TNEP as well, along with proper models for capturing the operational challenges of future power systems. As a consequence, TNEP formulations are becoming more complex and difficult to solve, especially for its application in realistic-sized power system models. To meet these challenges, there is an increasing need for developing efficient algorithms capable of solving the TNEP problem with reasonable computational time and resources. In this regard, a promising research area is the use of artificial intelligence (AI) techniques for solving large-scale mixed-integer optimization problems, such as the TNEP. In particular, the use of AI along with mathematical optimization strategies based on decomposition has shown great potential. In this context, this paper presents an efficient algorithm for solving the multi-year TNEP problem. The algorithm combines AI techniques with Column Generation, a traditional decomposition-based mathematical optimization method. One of the challenges of using Column Generation for solving the TNEP problem is that the subproblems are of mixed-integer nature, and therefore solving them requires significant amounts of time and resources. Hence, in this proposal we solve a linearly relaxed version of the subproblems, and trained a binary classifier that determines the value of the binary variables, based on the results obtained from the linearized version. A key feature of the proposal is that we integrate the binary classifier into the optimization algorithm in such a way that the optimality of the solution can be guaranteed. The results of a study case based on the HRP 38-bus test system shows that the binary classifier has an accuracy above 97% for estimating the value of the binary variables. Since the linearly relaxed version of the subproblems can be solved with significantly less time than the integer programming counterpart, the integration of the binary classifier into the Column Generation algorithm allowed us to reduce the computational time required for solving the problem by 50%. The final version of this paper will contain a detailed description of the proposed algorithm, the AI-based binary classifier technique and its integration into the CG algorithm. To demonstrate the capabilities of the proposal, we evaluate the algorithm in case studies with different scenarios, as well as in other power system models.

Keywords: integer optimization, machine learning, mathematical decomposition, transmission planning

Procedia PDF Downloads 82
49596 The Analysis of Different Classes of Weighted Fuzzy Petri Nets and Their Features

Authors: Yurii Bloshko, Oksana Olar

Abstract:

This paper presents the analysis of 6 different classes of Petri nets: fuzzy Petri nets (FPN), generalized fuzzy Petri nets (GFPN), parameterized fuzzy Petri nets (PFPN), T2GFPN, flexible generalized fuzzy Petri nets (FGFPN), binary Petri nets (BPN). These classes were simulated in the special software PNeS® for the analysis of its pros and cons on the example of models which are dedicated to the decision-making process of passenger transport logistics. The paper includes the analysis of two approaches: when input values are filled with the experts’ knowledge; when fuzzy expectations represented by output values are added to the point. These approaches fulfill the possibilities of triples of functions which are replaced with different combinations of t-/s-norms.

Keywords: fuzzy petri net, intelligent computational techniques, knowledge representation, triangular norms

Procedia PDF Downloads 139
49595 A Finite Element Based Predictive Stone Lofting Simulation Methodology for Automotive Vehicles

Authors: Gaurav Bisht, Rahul Rathnakumar, Ravikumar Duggirala

Abstract:

Predictive simulations are one of the key focus areas in safety-critical industries such as aerospace and high-performance automotive engineering. The stone-chipping study is one such effort taken up by the industry to predict and evaluate the damage caused due to gravel impact on vehicles. This paper describes a finite elements based method that can simulate the ejection of gravel chips from a vehicle tire. The FE simulations were used to obtain the initial ejection velocity of the stones for various driving conditions using a computational contact mechanics approach. To verify the accuracy of the tire model, several parametric studies were conducted. The FE simulations resulted in stone loft velocities ranging from 0–8 m/s, regardless of tire speed. The stress on the tire at the instant of initial contact with the stone increased linearly with vehicle speed. Mesh convergence studies indicated that a highly resolved tire mesh tends to result in better momentum transfer between the tire and the stone. A fine tire mesh also showed a linearly increasing relationship between the tire forward speed and stone lofting speed, which was not observed in coarser meshes. However, it also highlighted a potential challenge, in that the ejection velocity vector of the stone seemed to be sensitive to the mesh, owing to the FE-based contact mechanical formulation of the problem.

Keywords: abaqus, contact mechanics, foreign object debris, stone chipping

Procedia PDF Downloads 260
49594 11-Round Impossible Differential Attack on Midori64

Authors: Zhan Chen, Wenquan Bi

Abstract:

This paper focuses on examining the strength of Midori against impossible differential attack. The Midori family of light weight block cipher orienting to energy-efficiency is proposed in ASIACRYPT2015. Using a 6-round property, the authors implement an 11-round impossible differential attack on Midori64 by extending two rounds on the top and three rounds on the bottom. There is enough key space to consider pre-whitening keys in this attack. An impossible differential path that minimises the key bits involved is used to reduce computational complexity. Several additional observations such as partial abort technique are used to further reduce data and time complexities. This attack has data complexity of 2 ⁶⁹·² chosen plaintexts, requires 2 ¹⁴·⁵⁸ blocks of memory and 2 ⁹⁴·⁷ 11- round Midori64 encryptions.

Keywords: cryptanalysis, impossible differential, light weight block cipher, Midori

Procedia PDF Downloads 273
49593 Impacts on the Modification of a Two-Blade Mobile on the Agitation of Newtonian Fluids

Authors: Abderrahim Sidi Mohammed Nekrouf, Sarra Youcefi

Abstract:

Fluid mixing plays a crucial role in numerous industries as it has a significant impact on the final product quality and performance. In certain cases, the circulation of viscous fluids presents challenges, leading to the formation of stagnant zones. To overcome this issue, stirring devices are employed for fluid mixing. This study focuses on a numerical analysis aimed at understanding the behavior of Newtonian fluids when agitated by a two-blade agitator in a cylindrical vessel. We investigate the influence of the agitator shape on fluid motion. Bi-blade agitators of this type are commonly used in the food, cosmetic, and chemical industries to agitate both viscous and non-viscous liquids. Numerical simulations were conducted using Computational Fluid Dynamics (CFD) software to obtain velocity profiles, streamlines, velocity contours, and the associated power number. The obtained results were compared with experimental data available in the literature, validating the accuracy of our numerical approach. The results clearly demonstrate that modifying the agitator shape has a significant impact on fluid motion. This modification generates an axial flow that enhances the efficiency of the fluid flow. The various velocity results convincingly reveal that the fluid is more uniformly agitated with this modification, resulting in improved circulation and a substantial reduction in stagnant zones.

Keywords: Newtonian fluids, numerical modeling, two blade., CFD

Procedia PDF Downloads 72
49592 Development of Evolutionary Algorithm by Combining Optimization and Imitation Approach for Machine Learning in Gaming

Authors: Rohit Mittal, Bright Keswani, Amit Mithal

Abstract:

This paper provides a sense about the application of computational intelligence techniques used to develop computer games, especially car racing. For the deep sense and knowledge of artificial intelligence, this paper is divided into various sections that is optimization, imitation, innovation and combining approach of optimization and imitation. This paper is mainly concerned with combining approach which tells different aspects of using fitness measures and supervised learning techniques used to imitate aspects of behavior. The main achievement of this paper is based on modelling player behaviour and evolving new game content such as racing tracks as single car racing on single track.

Keywords: evolution algorithm, genetic, optimization, imitation, racing, innovation, gaming

Procedia PDF Downloads 643
49591 Computational Fluid Dynamic Investigation into the Relationship between Pressure and Velocity Distributions within a Microfluidic Feedback Oscillator

Authors: Zara L. Sheady

Abstract:

Fluidic oscillators are being utilised in an increasing number of applications in a wide variety of areas; these include on-board vehicle cleaning systems, flow separation control on aircraft and in fluidic circuitry. With this increased use, there is a further understanding required for the mechanics of the fluidics of the fluidic oscillator and why they work in the manner that they do. ANSYS CFX has been utilized to visualise the pressure and velocity within a microfluidic feedback oscillator. The images demonstrate how the pressure vortices build within the oscillator at the points where the velocity is diverted from linear motion through the oscillator. With an enhanced understanding of the pressure and velocity distributions within a fluidic oscillator, it will enable users of microfluidics to more greatly tailor fluidic nozzles to their specification.

Keywords: ANSYS CFX, control, fluidic oscillators, mechanics, pressure, relationship, velocity

Procedia PDF Downloads 331
49590 A Survey of Discrete Facility Location Problems

Authors: Z. Ulukan, E. Demircioğlu,

Abstract:

Facility location is a complex real-world problem which needs a strategic management decision. This paper provides a general review on studies, efforts and developments in Facility Location Problems which are classical optimization problems having a wide-spread applications in various areas such as transportation, distribution, production, supply chain decisions and telecommunication. Our goal is not to review all variants of different studies in FLPs or to describe very detailed computational techniques and solution approaches, but rather to provide a broad overview of major location problems that have been studied, indicating how they are formulated and what are proposed by researchers to tackle the problem. A brief, elucidative table based on a grouping according to “General Problem Type” and “Methods Proposed” used in the studies is also presented at the end of the work.

Keywords: discrete location problems, exact methods, heuristic algorithms, single source capacitated facility location problems

Procedia PDF Downloads 466
49589 Computation and Validation of the Stress Distribution around a Circular Hole in a Slab Undergoing Plastic Deformation

Authors: Sherif D. El Wakil, John Rice

Abstract:

The aim of the current work was to employ the finite element method to model a slab, with a small hole across its width, undergoing plastic plane strain deformation. The computational model had, however, to be validated by comparing its results with those obtained experimentally. Since they were in good agreement, the finite element method can therefore be considered a reliable tool that can help gain better understanding of the mechanism of ductile failure in structural members having stress raisers. The finite element software used was ANSYS, and the PLANE183 element was utilized. It is a higher order 2-D, 8-node or 6-node element with quadratic displacement behavior. A bilinear stress-strain relationship was used to define the material properties, with constants similar to those of the material used in the experimental study. The model was run for several tensile loads in order to observe the progression of the plastic deformation region, and the stress concentration factor was determined in each case. The experimental study involved employing the visioplasticity technique, where a circular mesh (each circle was 0.5 mm in diameter, with 0.05 mm line thickness) was initially printed on the side of an aluminum slab having a small hole across its width. Tensile loading was then applied to produce a small increment of plastic deformation. Circles in the plastic region became ellipses, where the directions of the principal strains and stresses coincided with the major and minor axes of the ellipses. Next, we were able to determine the directions of the maximum and minimum shear stresses at the center of each ellipse, and the slip-line field was then constructed. We were then able to determine the stress at any point in the plastic deformation zone, and hence the stress concentration factor. The experimental results were found to be in good agreement with the analytical ones.

Keywords: finite element method to model a slab, slab undergoing plastic deformation, stress distribution around a circular hole, visioplasticity

Procedia PDF Downloads 316
49588 Hydrodynamic Analysis of Payload Bay Berthing of an Underwater Vehicle With Vertically Actuated Thrusters

Authors: Zachary Cooper-Baldock, Paulo E. Santos, Russell S. A. Brinkworth, Karl Sammut

Abstract:

- In recent years, large unmanned underwater vehicles such as the Boeing Voyager and Anduril Ghost Shark have been developed. These vessels can be structured to contain onboard internal payload bays. These payload bays can serve a variety of purposes – including the launch and recovery (LAR) of smaller underwater vehicles. The LAR of smaller vessels is extremely important, as it enables transportation over greater distances, increased time on station, data transmission and operational safety. The larger vessel and its payload bay structure complicate the LAR of UUVs in contrast to static docks that are affixed to the seafloor, as they actively impact the local flow field. These flow field impacts require analysis to determine if UUV vessels can be safely launched and recovered inside the motherships. This research seeks to determine the hydrodynamic forces exerted on a vertically over-actuated, small, unmanned underwater vehicle (OUUV) during an internal LAR manoeuvre and compare this to an under-actuated vessel (UUUV). In this manoeuvre, the OUUV is navigated through the stern wake region of the larger vessel to a set point within the internal payload bay. The manoeuvre is simulated using ANSYS Fluent computational fluid dynamics models, covering the entire recovery of the OUUV and UUUV. The analysis of the OUUV is compared against the UUUV to determine the differences in the exerted forces. Of particular interest are the drag, pressure, turbulence and flow field effects exerted as the OUUV is driven inside the payload bay of the larger vessel. The hydrodynamic forces and flow field disturbances are used to determine the feasibility of making such an approach. From the simulations, it was determined that there was no significant detrimental physical forces, particularly with regard to turbulence. The flow field effects exerted by the OUUV are significant. The vertical thrusters exert significant wake structures, but their orientation ensures the wake effects are exerted below the UUV, minimising the impact. It was also seen that OUUV experiences higher drag forces compared to the UUUV, which will correlate to an increased energy expenditure. This investigation found no key indicators that recovery via a mothership payload bay was not feasible. The turbulence, drag and pressure phenomenon were of a similar magnitude to existing static and towed dock structures.

Keywords: underwater vehicles, submarine, autonomous underwater vehicles, auv, computational fluid dynamics, flow fields, pressure, turbulence, drag

Procedia PDF Downloads 74
49587 A Prediction Model of Tornado and Its Impact on Architecture Design

Authors: Jialin Wu, Zhiwei Lian, Jieyu Tang, Jingyun Shen

Abstract:

Tornado is a serious and unpredictable natural disaster, which has an important impact on people's production and life. The probability of being hit by tornadoes in China was analyzed considering the principles of tornado formation. Then some suggestions on layout and shapes for newly-built buildings were provided combined with the characteristics of tornado wind fields. Fuzzy clustering and inverse closeness methods were used to evaluate the probability levels of tornado risks in various provinces based on classification and ranking. GIS was adopted to display the results. Finally, wind field single-vortex tornado was studied to discuss the optimized design of rural low-rise houses in Yancheng, Jiangsu as an example. This paper may provide enough data to support building and urban design in some specific regions.

Keywords: tornado probability, computational fluid dynamics, fuzzy mathematics, optimal design

Procedia PDF Downloads 132
49586 Intelligent Agent-Based Model for the 5G mmWave O2I Technology Adoption

Authors: Robert Joseph M. Licup

Abstract:

The deployment of the fifth-generation (5G) mobile system through mmWave frequencies is the new solution in the requirement to provide higher bandwidth readily available for all users. The usage pattern of the mobile users has moved towards either the work from home or online classes set-up because of the pandemic. Previous mobile technologies can no longer meet the high speed, and bandwidth requirement needed, given the drastic shift of transactions to the home. The millimeter-wave (mmWave) underutilized frequency is utilized by the fifth-generation (5G) cellular networks that support multi-gigabit-per-second (Gbps) transmission. However, due to its short wavelengths, high path loss, directivity, blockage sensitivity, and narrow beamwidth are some of the technical challenges that need to be addressed. Different tools, technologies, and scenarios are explored to support network design, accurate channel modeling, implementation, and deployment effectively. However, there is a big challenge on how the consumer will adopt this solution and maximize the benefits offered by the 5G Technology. This research proposes to study the intricacies of technology diffusion, individual attitude, behaviors, and how technology adoption will be attained. The agent based simulation model shaped by the actual applications, technology solution, and related literature was used to arrive at a computational model. The research examines the different attributes, factors, and intricacies that can affect each identified agent towards technology adoption.

Keywords: agent-based model, AnyLogic, 5G O21, 5G mmWave solutions, technology adoption

Procedia PDF Downloads 104
49585 Acoustic Room Impulse Response Computation with Image Sources and Frequency Dependent Boundary Reflection Coefficients

Authors: Pratik Gandhi, Kavitha Chandra, Charles Thompson

Abstract:

A computational model of the acoustic room impulse response between transmitters and receivers located in an enclosed cavity under the influence of frequency-dependent reflection coefficients of the walls is presented. The characteristic features of the impulse responses that differentiate these results from frequency-independent reflecting surfaces are discussed. The image-source model is derived from the first principle solution to Green's function of the acoustic wave equation. The post-processing of the computed impulse response with a band-pass filter to better represents the response of a loud-speaker is demonstrated.

Keywords: acoustic room impulse response, frequency dependent reflection coefficients, Green's function, image model

Procedia PDF Downloads 226
49584 Classification of Cochannel Signals Using Cyclostationary Signal Processing and Deep Learning

Authors: Bryan Crompton, Daniel Giger, Tanay Mehta, Apurva Mody

Abstract:

The task of classifying radio frequency (RF) signals has seen recent success in employing deep neural network models. In this work, we present a combined signal processing and machine learning approach to signal classification for cochannel anomalous signals. The power spectral density and cyclostationary signal processing features of a captured signal are computed and fed into a neural net to produce a classification decision. Our combined signal preprocessing and machine learning approach allows for simpler neural networks with fast training times and small computational resource requirements for inference with longer preprocessing time.

Keywords: signal processing, machine learning, cyclostationary signal processing, signal classification

Procedia PDF Downloads 102
49583 Evaluation of Practicality of On-Demand Bus Using Actual Taxi-Use Data through Exhaustive Simulations

Authors: Jun-ichi Ochiai, Itsuki Noda, Ryo Kanamori, Keiji Hirata, Hitoshi Matsubara, Hideyuki Nakashima

Abstract:

We conducted exhaustive simulations for data assimilation and evaluation of service quality for various setting in a new shared transportation system, called SAVS. Computational social simulation is a key technology to design recent social services like SAVS as new transportation service. One open issue in SAVS was to determine the service scale through the social simulation. Using our exhaustive simulation framework, OACIS, we did data-assimilation and evaluation of effects of SAVS based on actual tax-use data at Tajimi city, Japan. Finally, we get the conditions to realize the new service in a reasonable service quality.

Keywords: on-demand bus sytem, social simulation, data assimilation, exhaustive simulation

Procedia PDF Downloads 315
49582 CFD Analysis of Passive Cooling Building by Using Solar Chimney for Mild or Warm Climates

Authors: Naci Kalkan, Ihsan Dagtekin

Abstract:

This research presents the design and analysis of solar air-conditioning systems particularly solar chimney which is a passive strategy for natural ventilation, and demonstrates the structures of these systems’ using Computational Fluid Dynamic (CFD) and finally compares the results with several examples, which have been studied experimentally and carried out previously. In order to improve the performance of solar chimney system, highly efficient sub-system components are considered for the design. The general purpose of the research is to understand how efficiently solar chimney systems generate cooling, and is to improve the efficient of such systems for integration with existing and future domestic buildings.

Keywords: active and passive solar technologies, solar cooling system, solar chimney, natural ventilation, cavity depth, CFD models for solar chimney

Procedia PDF Downloads 568
49581 An Approach for the Assessment of Semi-Elliptical Surface Crack

Authors: Muhammad Naweed, Usman Tariq Murtaza, Waseem Siddique

Abstract:

A pallet body approach is a finite element-based computational approach used for the modeling and assessment of a three-dimensional surface crack. The approach is capable of inserting the crack in an engineering structure and generating high-quality hexahedral mesh in the cracked region of the structure. The approach is capable of computing the stress intensity factors along a semi-elliptical surface crack numerically. The objective of this work is to present that the stress intensity factors produced by the approach can be used with confidence for capturing the parameters during the fatigue crack growth.

Keywords: pallet body approach, semi-elliptical surface crack, stress intensity factors, fatigue crack growth

Procedia PDF Downloads 97
49580 Low-Complexity Multiplication Using Complement and Signed-Digit Recoding Methods

Authors: Te-Jen Chang, I-Hui Pan, Ping-Sheng Huang, Shan-Jen Cheng

Abstract:

In this paper, a fast multiplication computing method utilizing the complement representation method and canonical recoding technique is proposed. By performing complements and canonical recoding technique, the number of partial products can be reduced. Based on these techniques, we propose an algorithm that provides an efficient multiplication method. On average, our proposed algorithm is to reduce the number of k-bit additions from (0.25k+logk/k+2.5) to (k/6 +logk/k+2.5), where k is the bit-length of the multiplicand A and multiplier B. We can therefore efficiently speed up the overall performance of the multiplication. Moreover, if we use the new proposes to compute common-multiplicand multiplication, the computational complexity can be reduced from (0.5 k+2 logk/k+5) to (k/3+2 logk/k+5) k-bit additions.

Keywords: algorithm design, complexity analysis, canonical recoding, public key cryptography, common-multiplicand multiplication

Procedia PDF Downloads 432
49579 Selenuranes as Cysteine Protease Inhibitors: Theorical Investigation on Model Systems

Authors: Gabriela D. Silva, Rodrigo L. O. R. Cunha, Mauricio D. Coutinho-Neto

Abstract:

In the last four decades the biological activities of selenium compounds has received great attention, particularly for hypervalent derivates from selenium (IV) used as enzyme inhibitors. The unregulated activity of cysteine proteases are related to the development of several pathologies, such as neurological disorders, cardiovascular diseases, obesity, rheumatoid arthritis, cancer and parasitic infections. These enzymes are therefore a valuable target for designing new small molecule inhibitors such as selenuranes. Even tough there has been advances in the synthesis and design of new selenuranes based inhibitors, little is known about their mechanism of action. It is a given that inhibition occurs through the reaction between the thiol group of the enzyme and the chalcogen atom. However, several open questions remain about the nature of the mechanism (associative vs. dissociative) and about the nature of the reactive species in solution under physiological conditions. In this work we performed a theoretical investigation on model systems to study the possible routes of substitution reactions. Nucleophiles may be present in biological systems, our interest is centered in the thiol groups from the cysteine proteases and the hydroxyls from the aqueous environment. We therefore expect this study to clarify the possibility of a route reaction in two stages, the first consisting of the substitution of chloro atoms by hydroxyl groups and then replacing these hydroxyl groups per thiol groups in selenuranes. The structures of selenuranes and nucleophiles were optimized using density function theory along the B3LYP functional and a 6-311+G(d) basis set. Solvent was treated using the IEFPCM method as implemented in the Gaussian 09 code. Our results indicate that hydrolysis from water react preferably with selenuranes, and then, they are replaced by the thiol group. It show the energy values of -106,0730423 kcal/mol for dople substituition by hydroxyl group and 96,63078511 kcal/mol for thiol group. The solvatation and pH reduction promotes this route, increasing the energy value for reaction with hydroxil group to -50,75637672 kcal/mol and decreasing the energy value for thiol to 7,917767189 kcal/mol. Alternative ways were analyzed for monosubstitution (considering the competition between Cl, OH and SH groups) and they suggest the same route. Similar results were obtained for aliphatic and aromatic selenuranes studied.

Keywords: chalcogenes, computational study, cysteine proteases, enzyme inhibitors

Procedia PDF Downloads 298
49578 Effect of the Applied Bias on Mini-Band Structures in Dimer Fibonacci InAs/Ga1-XInXAs Superlattices

Authors: Z. Aziz, S. Terkhi, Y. Sefir, R. Djelti, S. Bentata

Abstract:

The effect of a uniform electric field across multi-barrier systems (InAs/InxGa1-xAs) is exhaustively explored by a computational model using exact Airy function formalism and the transfer-matrix technique. In the case of biased DFHBSL structure a strong reduction in transmission properties was observed and the width of the mini-band structure linearly decreases with the increase of the applied bias. This is due to the confinement of the states in the mini-band structure, which becomes increasingly important (Wannier-Stark Effect).

Keywords: dimer fibonacci height barrier superlattices, singular extended state, exact Airy function and transfer matrix formalism, bioinformatics

Procedia PDF Downloads 283
49577 Formation of Miniband Structure in Dimer Fibonacci GaAs/Ga1-XAlXAs Superlattices

Authors: Aziz Zoubir, Sefir Yamina, Djelti Redouan, Bentata Samir

Abstract:

The effect of a uniform electric field across multibarrier systems (GaAs/AlxGa1-xAs) is exhaustively explored by a computational model using exact Airy function formalism and the transfer-matrix technique. In the case of biased Dimer Fibonacci Height Barrier superlattices (DFHBSL) structure a strong reduction in transmission properties was observed and the width of the miniband structure linearly decreases with the increase of the applied bias. This is due to the confinement of the states in the miniband structure, which becomes increasingly important (Wannier-Stark effect).

Keywords: Dimer Fibonacci Height Barrier superlattices, singular extended states, exact Airy function, transfer matrix formalism

Procedia PDF Downloads 502
49576 Size-Reduction Strategies for Iris Codes

Authors: Jutta Hämmerle-Uhl, Georg Penn, Gerhard Pötzelsberger, Andreas Uhl

Abstract:

Iris codes contain bits with different entropy. This work investigates different strategies to reduce the size of iris code templates with the aim of reducing storage requirements and computational demand in the matching process. Besides simple sub-sampling schemes, also a binary multi-resolution representation as used in the JBIG hierarchical coding mode is assessed. We find that iris code template size can be reduced significantly while maintaining recognition accuracy. Besides, we propose a two stage identification approach, using small-sized iris code templates in a pre-selection satge, and full resolution templates for final identification, which shows promising recognition behaviour.

Keywords: iris recognition, compact iris code, fast matching, best bits, pre-selection identification, two-stage identification

Procedia PDF Downloads 437
49575 Estimation of the Road Traffic Emissions and Dispersion in the Developing Countries Conditions

Authors: Hicham Gourgue, Ahmed Aharoune, Ahmed Ihlal

Abstract:

We present in this work our model of road traffic emissions (line sources) and dispersion of these emissions, named DISPOLSPEM (Dispersion of Poly Sources and Pollutants Emission Model). In its emission part, this model was designed to keep the consistent bottom-up and top-down approaches. It also allows to generate emission inventories from reduced input parameters being adapted to existing conditions in Morocco and in the other developing countries. While several simplifications are made, all the performance of the model results are kept. A further important advantage of the model is that it allows the uncertainty calculation and emission rate uncertainty according to each of the input parameters. In the dispersion part of the model, an improved line source model has been developed, implemented and tested against a reference solution. It provides improvement in accuracy over previous formulas of line source Gaussian plume model, without being too demanding in terms of computational resources. In the case study presented here, the biggest errors were associated with the ends of line source sections; these errors will be canceled by adjacent sections of line sources during the simulation of a road network. In cases where the wind is parallel to the source line, the use of the combination discretized source and analytical line source formulas minimizes remarkably the error. Because this combination is applied only for a small number of wind directions, it should not excessively increase the calculation time.

Keywords: air pollution, dispersion, emissions, line sources, road traffic, urban transport

Procedia PDF Downloads 436
49574 A Brazilian Study Applied to the Regulatory Environmental Issues of Nanomaterials

Authors: Luciana S. Almeida

Abstract:

Nanotechnology has revolutionized the world of science and technology bringing great expectations due to its great potential of application in the most varied industrial sectors. The same characteristics that make nanoparticles interesting from the point of view of the technological application, these may be undesirable when released into the environment. The small size of nanoparticles facilitates their diffusion and transport in the atmosphere, water, and soil and facilitates the entry and accumulation of nanoparticles in living cells. The main objective of this study is to evaluate the environmental regulatory process of nanomaterials in the Brazilian scenario. Three specific objectives were outlined. The first is to carry out a global scientometric study, in a research platform, with the purpose of identifying the main lines of study of nanomaterials in the environmental area. The second is to verify how environmental agencies in other countries have been working on this issue by means of a bibliographic review. And the third is to carry out an assessment of the Brazilian Nanotechnology Draft Law 6741/2013 with the state environmental agencies. This last one has the aim of identifying the knowledge of the subject by the environmental agencies and necessary resources available in the country for the implementation of the Policy. A questionnaire will be used as a tool for this evaluation to identify the operational elements and build indicators through the Environment of Evaluation Application, a computational application developed for the development of questionnaires. At the end will be verified the need to propose changes in the Draft Law of the National Nanotechnology Policy. Initial studies, in relation to the first specific objective, have already identified that Brazil stands out in the production of scientific publications in the area of nanotechnology, although the minority is in studies focused on environmental impact studies. Regarding the general panorama of other countries, some findings have also been raised. The United States has included the nanoform of the substances in an existing program in the EPA (Environmental Protection Agency), the TSCA (Toxic Substances Control Act). The European Union issued a draft of a document amending Regulation 1907/2006 of the European Parliament and Council to cover the nanoform of substances. Both programs are based on the study and identification of environmental risks associated with nanomaterials taking into consideration the product life cycle. In relation to Brazil, regarding the third specific objective, it is notable that the country does not have any regulations applicable to nanostructures, although there is a Draft Law in progress. In this document, it is possible to identify some requirements related to the environment, such as environmental inspection and licensing; industrial waste management; notification of accidents and application of sanctions. However, it is not known if these requirements are sufficient for the prevention of environmental impacts and if national environmental agencies will know how to apply them correctly. This study intends to serve as a basis for future actions regarding environmental management applied to the use of nanotechnology in Brazil.

Keywords: environment; management; nanotecnology; politics

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49573 An Exact Algorithm for Location–Transportation Problems in Humanitarian Relief

Authors: Chansiri Singhtaun

Abstract:

This paper proposes a mathematical model and examines the performance of an exact algorithm for a location–transportation problems in humanitarian relief. The model determines the number and location of distribution centers in a relief network, the amount of relief supplies to be stocked at each distribution center and the vehicles to take the supplies to meet the needs of disaster victims under capacity restriction, transportation and budgetary constraints. The computational experiments are conducted on the various sizes of problems that are generated. Branch and bound algorithm is applied for these problems. The results show that this algorithm can solve problem sizes of up to three candidate locations with five demand points and one candidate location with up to twenty demand points without premature termination.

Keywords: disaster response, facility location, humanitarian relief, transportation

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49572 Mutual Authentication for Sensor-to-Sensor Communications in IoT Infrastructure

Authors: Shadi Janbabaei, Hossein Gharaee Garakani, Naser Mohammadzadeh

Abstract:

Internet of things is a new concept that its emergence has caused ubiquity of sensors in human life, so that at any time, all data are collected, processed and transmitted by these sensors. In order to establish a secure connection, the first challenge is authentication between sensors. However, this challenge also requires some features so that the authentication is done properly. Anonymity, untraceability, and being lightweight are among the issues that need to be considered. In this paper, we have evaluated the authentication protocols and have analyzed the security vulnerabilities found in them. Then an improved light weight authentication protocol for sensor-to-sensor communications is presented which uses the hash function and logical operators. The analysis of protocol shows that security requirements have been met and the protocol is resistant against various attacks. In the end, by decreasing the number of computational cost functions, it is argued that the protocol is lighter than before.

Keywords: anonymity, authentication, Internet of Things, lightweight, un-traceability

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49571 Numerical Investigation of Natural Convection of Pine, Olive and Orange Leaves

Authors: Ali Reza Tahavvor, Saeed Hosseini, Nazli Jowkar, Behnam Amiri

Abstract:

Heat transfer of leaves is a crucial factor in optimal operation of metabolic functions in plants. In order to quantify this phenomenon in different leaves and investigate the influence of leaf shape on heat transfer, natural convection for pine, orange and olive leaves was simulated as representatives of different groups of leaf shapes. CFD techniques were used in this simulation with the purpose to calculate heat transfer of leaves in similar environmental conditions. The problem was simulated for steady state and three-dimensional conditions. From obtained results, it was concluded that heat fluxes of all three different leaves are almost identical, however, total rate of heat transfer have highest and lowest values for orange leaves and pine leaves, respectively.

Keywords: computational fluid dynamic, heat flux, heat transfer, natural convection

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49570 Modeling and Simulation of the Structural, Electronic and Magnetic Properties of Fe-Ni Based Nanoalloys

Authors: Ece A. Irmak, Amdulla O. Mekhrabov, M. Vedat Akdeniz

Abstract:

There is a growing interest in the modeling and simulation of magnetic nanoalloys by various computational methods. Magnetic crystalline/amorphous nanoparticles (NP) are interesting materials from both the applied and fundamental points of view, as their properties differ from those of bulk materials and are essential for advanced applications such as high-performance permanent magnets, high-density magnetic recording media, drug carriers, sensors in biomedical technology, etc. As an important magnetic material, Fe-Ni based nanoalloys have promising applications in the chemical industry (catalysis, battery), aerospace and stealth industry (radar absorbing material, jet engine alloys), magnetic biomedical applications (drug delivery, magnetic resonance imaging, biosensor) and computer hardware industry (data storage). The physical and chemical properties of the nanoalloys depend not only on the particle or crystallite size but also on composition and atomic ordering. Therefore, computer modeling is an essential tool to predict structural, electronic, magnetic and optical behavior at atomistic levels and consequently reduce the time for designing and development of new materials with novel/enhanced properties. Although first-principles quantum mechanical methods provide the most accurate results, they require huge computational effort to solve the Schrodinger equation for only a few tens of atoms. On the other hand, molecular dynamics method with appropriate empirical or semi-empirical inter-atomic potentials can give accurate results for the static and dynamic properties of larger systems in a short span of time. In this study, structural evolutions, magnetic and electronic properties of Fe-Ni based nanoalloys have been studied by using molecular dynamics (MD) method in Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and Density Functional Theory (DFT) in the Vienna Ab initio Simulation Package (VASP). The effects of particle size (in 2-10 nm particle size range) and temperature (300-1500 K) on stability and structural evolutions of amorphous and crystalline Fe-Ni bulk/nanoalloys have been investigated by combining molecular dynamic (MD) simulation method with Embedded Atom Model (EAM). EAM is applicable for the Fe-Ni based bimetallic systems because it considers both the pairwise interatomic interaction potentials and electron densities. Structural evolution of Fe-Ni bulk and nanoparticles (NPs) have been studied by calculation of radial distribution functions (RDF), interatomic distances, coordination number, core-to-surface concentration profiles as well as Voronoi analysis and surface energy dependences on temperature and particle size. Moreover, spin-polarized DFT calculations were performed by using a plane-wave basis set with generalized gradient approximation (GGA) exchange and correlation effects in the VASP-MedeA package to predict magnetic and electronic properties of the Fe-Ni based alloys in bulk and nanostructured phases. The result of theoretical modeling and simulations for the structural evolutions, magnetic and electronic properties of Fe-Ni based nanostructured alloys were compared with experimental and other theoretical results published in the literature.

Keywords: density functional theory, embedded atom model, Fe-Ni systems, molecular dynamics, nanoalloys

Procedia PDF Downloads 239