Search results for: molecular dynamic simulation
9626 Effect of Fiber Orientation on Dynamic Properties of Carbon-Epoxy Composite Laminate under Flexural Vibration
Authors: Bahlouli Ahmed, Bentalab Nourdin, Nigrou Mourad
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This study was aimed at investigating the effect of orientation fiber reinforced on dynamic properties of laminate composite FRP. An experimental investigation is implemented using an impulse technique. The various specimens are excited in free vibration by the use of bi-channel Analyzer. The experimental results are compared by model of finite element analysis using ANSYS. The results studies (natural frequencies measurements, vibration mode, dynamic modulus and damping ratio) show that the effects of significant parameters such as lay-up and stacking sequence, boundary conditions and excitation place of accelerometer. These results are critically examined and discussed. The accuracy of these results is demonstrated by comparing results with those available in the literature.Keywords: natural frequency, damping ratio, laminate composite, dynamic modulus
Procedia PDF Downloads 3609625 Hardware-in-the-Loop Test for Automatic Voltage Regulator of Synchronous Condenser
Authors: Ha Thi Nguyen, Guangya Yang, Arne Hejde Nielsen, Peter Højgaard Jensen
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Automatic voltage regulator (AVR) plays an important role in volt/var control of synchronous condenser (SC) in power systems. Test AVR performance in steady-state and dynamic conditions in real grid is expensive, low efficiency, and hard to achieve. To address this issue, we implement hardware-in-the-loop (HiL) test for the AVR of SC to test the steady-state and dynamic performances of AVR in different operating conditions. Startup procedure of the system and voltage set point changes are studied to evaluate the AVR hardware response. Overexcitation, underexcitation, and AVR set point loss are tested to compare the performance of SC with the AVR hardware and that of simulation. The comparative results demonstrate how AVR will work in a real system. The results show HiL test is an effective approach for testing devices before deployment and is able to parameterize the controller with lower cost, higher efficiency, and more flexibility.Keywords: automatic voltage regulator, hardware-in-the-loop, synchronous condenser, real time digital simulator
Procedia PDF Downloads 2519624 Static and Dynamic Analysis on a Buddhism Goddess Guanyin in Shuangyashan
Authors: Gong Kangming, Zhao Caiqi
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High-rise special-shaped structure, such as main frame structure of the statues, is one of the structure forms in irregular structure widely used. Due to the complex shape of the statue structure, with a large aspect ratio, its wind load value and the overall mechanical properties are very different from the high-rise buildings with the general rules. The paper taking a certain 48 meters high main frame structure of the statue located in Shuangyashan City, Heilongjiang Province, static and dynamic properties are analyzed by the finite element software. Through static and dynamic analysis, it got a number of useful conclusions that have a certain reference value for the analysis and design of the future similar structure.Keywords: a Buddhism goddess Guanyin body, wind load, dynamic analysis, bolster, node design
Procedia PDF Downloads 4679623 A Hybrid Hopfield Neural Network for Dynamic Flexible Job Shop Scheduling Problems
Authors: Aydin Teymourifar, Gurkan Ozturk
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In this paper, a new hybrid Hopfield neural network is proposed for the dynamic, flexible job shop scheduling problem. A new heuristic based and easy to implement energy function is designed for the Hopfield neural network, which penalizes the constraints violation and decreases makespan. Moreover, for enhancing the performance, several heuristics are integrated to it that achieve active, and non-delay schedules also, prevent early convergence of the neural network. The suggested algorithm that is designed as a generalization of the previous studies for the flexible and dynamic scheduling problems can be used for solving real scheduling problems. Comparison of the presented hybrid method results with the previous studies results proves its efficiency.Keywords: dynamic flexible job shop scheduling, neural network, heuristics, constrained optimization
Procedia PDF Downloads 4189622 Resource Orchestration Based on Two-Sides Scheduling in Computing Network Control Sytems
Authors: Li Guo, Jianhong Wang, Dian Huang, Shengzhong Feng
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Computing networks as a new network architecture has shown great promise in boosting the utilization of different resources, such as computing, caching, and communications. To maximise the efficiency of resource orchestration in computing network control systems (CNCSs), this work proposes a dynamic orchestration strategy of a different resource based on task requirements from computing power requestors (CPRs). Specifically, computing power providers (CPPs) in CNCSs could share information with each other through communication channels on the basis of blockchain technology, especially their current idle resources. This dynamic process is modeled as a cooperative game in which CPPs have the same target of maximising long-term rewards by improving the resource utilization ratio. Meanwhile, the task requirements from CPRs, including size, deadline, and calculation, are simultaneously considered in this paper. According to task requirements, the proposed orchestration strategy could schedule the best-fitting resource in CNCSs, achieving the maximum long-term rewards of CPPs and the best quality of experience (QoE) of CRRs at the same time. Based on the EdgeCloudSim simulation platform, the efficiency of the proposed strategy is achieved from both sides of CPRs and CPPs. Besides, experimental results show that the proposed strategy outperforms the other comparisons in all cases.Keywords: computing network control systems, resource orchestration, dynamic scheduling, blockchain, cooperative game
Procedia PDF Downloads 1149621 Determination of Dynamic Soil Properties Using Multichannel Analysis of Surface Wave (MASW) Techniques in Earth-Filled Dam
Authors: Noppadon Sintuboon, Benjamas Sawatdipong, Anchalee Kongsuk
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This study was conducted to investigate the engineering parameters: compressional wave: Vp, shear wave: Vs, and density: ρ related to the dynamically geotechnical properties of soils compaction in the core of earth-filled dam located in northern part of Thailand by using multichannel analysis of surface wave (MASW) techniques. The Vp, Vs, and ρ from MASW were 1,624 - 1,649 m/s, 301-323 m/s, and 1,829 kg/m3, respectively. Those parameters were calculated to Poison’s ratio: ν (0.48), shear modulus: G (1.66 x 108 - 1.92 x 108 kg/m2), Vp/Vs ratio (5.10 – 5.39) and Standard Penetration Test (SPT) showing the dynamic characteristics of soil deformation and stress resulting from dynamic loads. The results of this study will be useful in primary evaluating the current condition and foundation of the dam and can be compared to the data from the laboratory in the future.Keywords: earth-filled dam, MASW, dynamic elastic constant, shear wave
Procedia PDF Downloads 2979620 Dynamic Model of Heterogeneous Markets with Imperfect Information for the Optimization of Company's Long-Time Strategy
Authors: Oleg Oborin
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This paper is dedicated to the development of the model, which can be used to evaluate the effectiveness of long-term corporate strategies and identify the best strategies. The theoretical model of the relatively homogenous product market (such as iron and steel industry, mobile services or road transport) has been developed. In the model, the market consists of a large number of companies with different internal characteristics and objectives. The companies can perform mergers and acquisitions in order to increase their market share. The model allows the simulation of long-time dynamics of the market (for a period longer than 20 years). Therefore, a large number of simulations on random input data was conducted in the framework of the model. After that, the results of the model were compared with the dynamics of real markets, such as the US steel industry from the beginning of the XX century to the present day, and the market of mobile services in Germany for the period between 1990 and 2015.Keywords: Economic Modelling, Long-Time Strategy, Mergers and Acquisitions, Simulation
Procedia PDF Downloads 3679619 Dynamic Communications Mapping in NoC-Based Heterogeneous MPSoCs
Authors: M. K. Benhaoua, A. K. Singh, A. E. H. Benyamina
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In this paper, we propose heuristic for dynamic communications mapping that considers the placement of communications in order to optimize the overall performance. The mapping technique uses a newly proposed Algorithm to place communications between the tasks. The placement we propose of the communications leads to a better optimization of several performance metrics (time and energy consumption). Experimental results show that the proposed mapping approach provides significant performance improvements when compared to those using static routing.Keywords: Multi-Processor Systems-on-Chip (MPSoCs), Network-on-Chip (NoC), heterogeneous architectures, dynamic mapping heuristics
Procedia PDF Downloads 5339618 Numerical Simulation of Convective Flow of Nanofluids with an Oriented Magnetic Field in a Half Circular-Annulus
Authors: M. J. Uddin, M. M. Rahman
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The unsteady convective heat transfer flow of nanofluids in a half circular-annulus shape enclosure using nonhomogeneous dynamic model has been investigated numerically. The round upper wall of the enclosure is maintained at constant low temperature whereas the bottom wall is heated by three different thermal conditions. The enclosure is permeated by a uniform magnetic field having variable orientation. The Brownian motion and thermophoretic phenomena of the nanoparticles are taken into account in model construction. The governing nonlinear momentum, energy, and concentration equations are solved numerically using Galerkin weighted residual finite element method. To discover the best performer, the average Nusselt number is demonstrated for different types of nanofluids. The heat transfer rate for different flow parameters, positions of the annulus, thicknesses of the half circular-annulus and thermal conditions is also exhibited.Keywords: nanofluid, convection, semicircular-annulus, nonhomogeneous dynamic model, finite element method
Procedia PDF Downloads 2219617 Simulation Of A Renal Phantom Using the MAG 3
Authors: Ati Moncef
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We describe in this paper the results of a phantom of dynamics renal with MAG3. Our phantom consisted of (tow shaped of kidneys, 1 liver). These phantoms were scanned with static and dynamic protocols and compared with clinical data. in a normal conditions we use our phantoms it's possible to acquire a renal images when we can be compared with clinical scintigraphy. In conclusion, Renal phantom also can use in the quality control of a renal scintigraphy.Keywords: Renal scintigraphy, MAG3, Nuclear medicine, Gamma Camera.
Procedia PDF Downloads 4019616 Free Energy Computation of A G-Quadruplex-Ligand Structure: A Classical Molecular Dynamics and Metadynamics Simulation Study
Authors: Juan Antonio Mondragon Sanchez, Ruben Santamaria
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The DNA G-quadruplex is a four-stranded DNA structure formed by stacked planes of four base paired guanines (G-quartet). Guanine rich DNA sequences appear in many sites of genomic DNA and can potential form G-quadruplexes, such as those occurring at 3'-terminus of the human telomeric DNA. The formation and stabilization of a G-quadruplex by small ligands at the telomeric region can inhibit the telomerase activity. In turn, the ligands can be used to down regulate oncogene expression making G-quadruplex an attractive target for anticancer therapy. Many G-quadruplex ligands have been proposed with a planar core to facilitate the pi–pi stacking and electrostatic interactions with the G-quartets. However, many drug candidates are impossibilitated to discriminate a G-quadruplex from a double helix DNA structure. In this context, it is important to investigate the site topology for the interaction of a G-quadruplex with a ligand. In this work, we determine the free energy surface of a G-quadruplex-ligand to study the binding modes of the G-quadruplex (TG4T) with the daunomycin (DM) drug. The complex TG4T-DM is studied using classical molecular dynamics in combination with metadynamics simulations. The metadynamics simulations permit an enhanced sampling of the conformational space with a modest computational cost and obtain free energy surfaces in terms of the collective variables (CV). The free energy surfaces of TG4T-DM exhibit other local minima, indicating the presence of additional binding modes of daunomycin that are not observed in short MD simulations without the metadynamics approach. The results are compared with similar calculations on a different structure (the mutated mu-G4T-DM where the 5' thymines on TG4T-DM have been deleted). The results should be of help to design new G-quadruplex drugs, and understand the differences in the recognition topology sites of the duplex and quadruplex DNA structures in their interaction with ligands.Keywords: g-quadruplex, cancer, molecular dynamics, metadynamics
Procedia PDF Downloads 4609615 Improvement of Central Composite Design in Modeling and Optimization of Simulation Experiments
Authors: A. Nuchitprasittichai, N. Lerdritsirikoon, T. Khamsing
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Simulation modeling can be used to solve real world problems. It provides an understanding of a complex system. To develop a simplified model of process simulation, a suitable experimental design is required to be able to capture surface characteristics. This paper presents the experimental design and algorithm used to model the process simulation for optimization problem. The CO2 liquefaction based on external refrigeration with two refrigeration circuits was used as a simulation case study. Latin Hypercube Sampling (LHS) was purposed to combine with existing Central Composite Design (CCD) samples to improve the performance of CCD in generating the second order model of the system. The second order model was then used as the objective function of the optimization problem. The results showed that adding LHS samples to CCD samples can help capture surface curvature characteristics. Suitable number of LHS sample points should be considered in order to get an accurate nonlinear model with minimum number of simulation experiments.Keywords: central composite design, CO2 liquefaction, latin hypercube sampling, simulation-based optimization
Procedia PDF Downloads 1669614 Molecular Identification and Evolutionary Status of Lucilia bufonivora: An Obligate Parasite of Amphibians in Europe
Authors: Gerardo Arias, Richard Wall, Jamie Stevens
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Lucilia bufonivora Moniez, is an obligate parasite of toads and frogs widely distributed in Europe. Its sister taxon Lucilia silvarum Meigen behaves mainly as a carrion breeder in Europe, however it has been reported as a facultative parasite of amphibians. These two closely related species are morphologically almost identical, which has led to misidentification, and in fact, it has been suggested that the amphibian myiasis cases by L. silvarum reported in Europe should be attributed to L. bufonivora. Both species remain poorly studied and their taxonomic relationships are still unclear. The identification of the larval specimens involved in amphibian myiasis with molecular tools and phylogenetic analysis of these two closely related species may resolve this problem. In this work seventeen unidentified larval specimens extracted from toad myiasis cases of the UK, the Netherlands and Switzerland were obtained, their COX1 (mtDNA) and EF1-α (Nuclear DNA) gene regions were amplified and then sequenced. The 17 larval samples were identified with both molecular markers as L. bufonivora. Phylogenetic analysis was carried out with 10 other blowfly species, including L. silvarum samples from the UK and USA. Bayesian Inference trees of COX1 and a combined-gene dataset suggested that L. silvarum and L. bufonivora are separate sister species. However, the nuclear gene EF1-α does not appear to resolve their relationships, suggesting that the rates of evolution of the mtDNA are much faster than those of the nuclear DNA. This work provides the molecular evidence for successful identification of L. bufonivora and a molecular analysis of the populations of this obligate parasite from different locations across Europe. The relationships with L. silvarum are discussed.Keywords: calliphoridae, molecular evolution, myiasis, obligate parasitism
Procedia PDF Downloads 2429613 Towards a Resources Provisioning for Dynamic Workflows in the Cloud
Authors: Fairouz Fakhfakh, Hatem Hadj Kacem, Ahmed Hadj Kacem
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Cloud computing offers a new model of service provisioning for workflow applications, thanks to its elasticity and its paying model. However, it presents various challenges that need to be addressed in order to be efficiently utilized. The resources provisioning problem for workflow applications has been widely studied. Nevertheless, the existing works did not consider the change in workflow instances while they are being executed. This functionality has become a major requirement to deal with unusual situations and evolution. This paper presents a first step towards the resources provisioning for a dynamic workflow. In fact, we propose a provisioning algorithm which minimizes the overall workflow execution cost, while meeting a deadline constraint. Then, we extend it to support the dynamic adding of tasks. Experimental results show that our proposed heuristic demonstrates a significant reduction in resources cost by using a consolidation process.Keywords: cloud computing, resources provisioning, dynamic workflow, workflow applications
Procedia PDF Downloads 2959612 Statistical Study and Simulation of 140 Kv X– Ray Tube by Monte Carlo
Authors: Mehdi Homayouni, Karim Adinehvand, Bakhtiar Azadbakht
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In this study, we used Monte Carlo code (MCNP4C) that is a general method, for simulation, electron source and electric field, a disc source with 0.05 cm radius in direct of anode are used, radius of disc source show focal spot of X-ray tube that here is 0.05 cm. In this simulation, the anode is from tungsten with 18.9 g/cm3 density and angle of the anode is 18°. We simulated X-ray tube for 140 kv. For increasing of speed data acquisition, we use F5 tally. With determination the exact position of F5 tally in the program, outputs are acquired. In this spectrum the start point is about 0.02 Mev, the absorption edges are about 0.06 Mev and 0.07 Mev, and average energy is about 0.05 Mev.Keywords: X-spectrum, simulation, Monte Carlo, tube
Procedia PDF Downloads 7229611 An Adaptive Opportunistic Transmission for Unlicensed Spectrum Sharing in Heterogeneous Networks
Authors: Daehyoung Kim, Pervez Khan, Hoon Kim
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Efficient utilization of spectrum resources is a fundamental issue of wireless communications due to its scarcity. To improve the efficiency of spectrum utilization, the spectrum sharing for unlicensed bands is being regarded as one of key technologies in the next generation wireless networks. A number of schemes such as Listen-Before-Talk(LBT) and carrier sensor adaptive transmission (CSAT) have been suggested from this aspect, but more efficient sharing schemes are required for improving spectrum utilization efficiency. This work considers an opportunistic transmission approach and a dynamic Contention Window (CW) adjustment scheme for LTE-U users sharing the unlicensed spectrum with Wi-Fi, in order to enhance the overall system throughput. The decision criteria for the dynamic adjustment of CW are based on the collision evaluation, derived from the collision probability of the system. The overall performance can be improved due to the adaptive adjustment of the CW. Simulation results show that our proposed scheme outperforms the Distributed Coordination Function (DCF) mechanism of IEEE 802.11 MAC.Keywords: spectrum sharing, adaptive opportunistic transmission, unlicensed bands, heterogeneous networks
Procedia PDF Downloads 3509610 Molecular Analysis of Somaclonal Variation in Tissue Culture Derived Bananas Using MSAP and SSR Marker
Authors: Emma K. Sales, Nilda G. Butardo
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The project was undertaken to determine the effects of modified tissue culture protocols e.g. age of culture and hormone levels (2,4-D) in generating somaclonal variation. Moreover, the utility of molecular markers (SSR and MSAP) in sorting off types/somaclones were investigated. Results show that somaclonal variation is in effect due to prolonged subculture and high 2,4-D concentration. The resultant variation was observed to be due to high level of methylation events specifically cytosine methylation either at the internal or external cytosine and was identified by methylation sensitive amplification polymorphism (MSAP). Simple sequence repeats (SSR) on the other hand, was able to associate a marker to a trait of interest. These therefore, show that molecular markers can be an important tool in sorting out variation/mutants at an early stage.Keywords: methylation, MSAP, somaclones, SSR, subculture, 2, 4-D
Procedia PDF Downloads 3019609 Algorithms for Run-Time Task Mapping in NoC-Based Heterogeneous MPSoCs
Authors: M. K. Benhaoua, A. K. Singh, A. E. Benyamina, P. Boulet
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Mapping parallelized tasks of applications onto these MPSoCs can be done either at design time (static) or at run-time (dynamic). Static mapping strategies find the best placement of tasks at design-time, and hence, these are not suitable for dynamic workload and seem incapable of runtime resource management. The number of tasks or applications executing in MPSoC platform can exceed the available resources, requiring efficient run-time mapping strategies to meet these constraints. This paper describes a new Spiral Dynamic Task Mapping heuristic for mapping applications onto NoC-based Heterogeneous MPSoC. This heuristic is based on packing strategy and routing Algorithm proposed also in this paper. Heuristic try to map the tasks of an application in a clustering region to reduce the communication overhead between the communicating tasks. The heuristic proposed in this paper attempts to map the tasks of an application that are most related to each other in a spiral manner and to find the best possible path load that minimizes the communication overhead. In this context, we have realized a simulation environment for experimental evaluations to map applications with varying number of tasks onto an 8x8 NoC-based Heterogeneous MPSoCs platform, we demonstrate that the new mapping heuristics with the new modified dijkstra routing algorithm proposed are capable of reducing the total execution time and energy consumption of applications when compared to state-of-the-art run-time mapping heuristics reported in the literature.Keywords: multiprocessor system on chip, MPSoC, network on chip, NoC, heterogeneous architectures, run-time mapping heuristics, routing algorithm
Procedia PDF Downloads 4899608 Simulation of the Evacuation of Ships Carrying Dangerous Goods from Tsunami
Authors: Yoshinori Matsuura, Saori Iwanaga
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The Great East Japan Earthquake occurred at 14:46 on Friday, March 11, 2011. It was the most powerful known earthquake to have hit Japan. The earthquake triggered extremely destructive tsunami waves of up to 40.5 meters in height. We focus on the ship’s evacuation from tsunami. Then we analyze about ships evacuation from tsunami using multi-agent simulation and we want to prepare for a coming earthquake. We developed a simulation model of ships that set sail from the port in order to evacuate from the tsunami considering the ship carrying dangerous goods.Keywords: Ship’s evacuation, multi-agent simulation, tsunami
Procedia PDF Downloads 4529607 Energy Consumption and GHG Production in Railway and Road Passenger Regional Transport
Authors: Martin Kendra, Tomas Skrucany, Jozef Gnap, Jan Ponicky
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Paper deals with the modeling and simulation of energy consumption and GHG production of two different modes of regional passenger transport – road and railway. These two transport modes use the same type of fuel – diesel. Modeling and simulation of the energy consumption in transport is often used due to calculation satisfactory accuracy and cost efficiency. Paper deals with the calculation based on EN standards and information collected from technical information from vehicle producers and characteristics of tracks. Calculation included maximal theoretical capacity of bus and train and real passenger’s measurement from operation. Final energy consumption and GHG production is calculated by using software simulation. In evaluation of the simulation is used system ‘well to wheel’.Keywords: bus, consumption energy, GHG, production, simulation, train
Procedia PDF Downloads 4439606 EHD Effect on the Dynamic Characteristics of a Journal Bearing Lubricated with Couple Stress Fluids
Authors: B. Chetti, W. A. Crosby
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This paper presents a numerical analysis for the dynamic performance of a finite journal bearing lubricated with couple stress fluid taking into account the effect of the deformation of the bearing liner. The modified Reynolds equation has been solved by using finite difference technique. The dynamic characteristics in terms of stiffness coefficients, damping coefficients, critical mass and whirl ratio are evaluated for different values of eccentricity ratio and elastic coefficient for a journal bearing lubricated with a couple stress fluids and a Newtonian fluid. The results show that the dynamic characteristics of journal bearings lubricated with couple stress fluids are improved compared to journal bearings lubricated with Newtonian fluids.Keywords: journal bearing, elastohydrodynamic, stability, couple stress
Procedia PDF Downloads 3629605 Computational Approach for Grp78–Nf-ΚB Binding Interactions in the Context of Neuroprotective Pathway in Brain Injuries
Authors: Janneth Gonzalez, Marco Avila, George Barreto
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GRP78 participates in multiple functions in the cell during normal and pathological conditions, controlling calcium homeostasis, protein folding and unfolded protein response. GRP78 is located in the endoplasmic reticulum, but it can change its location under stress, hypoxic and apoptotic conditions. NF-κB represents the keystone of the inflammatory process and regulates the transcription of several genes related with apoptosis, differentiation, and cell growth. The possible relationship between GRP78-NF-κB could support and explain several mechanisms that may regulate a variety of cell functions, especially following brain injuries. Although several reports show interactions between NF-κB and heat shock proteins family members, there is a lack of information on how GRP78 may be interacting with NF-κB, and possibly regulating its downstream activation. Therefore, we assessed the computational predictions of the GRP78 (Chain A) and NF-κB complex (IkB alpha and p65) protein-protein interactions. The interaction interface of the docking model showed that the amino acids ASN 47, GLU 215, GLY 403 of GRP78 and THR 54, ASN 182 and HIS 184 of NF-κB are key residues involved in the docking. The electrostatic field between GRP78-NF-κB interfaces and molecular dynamic simulations support the possible interaction between the proteins. In conclusion, this work shed some light in the possible GRP78-NF-κB complex indicating key residues in this crosstalk, which may be used as an input for better drug design strategy targeting NF-κB downstream signaling as a new therapeutic approach following brain injuries.Keywords: computational biology, protein interactions, Grp78, bioinformatics, molecular dynamics
Procedia PDF Downloads 3429604 Simulation of 140 Kv X– Ray Tube by MCNP4C Code
Authors: Amin Sahebnasagh, Karim Adinehvand, Bakhtiar Azadbakht
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In this study, we used Monte Carlo code (MCNP4C) that is a general method, for simulation, electron source and electric field, a disc source with 0.05 cm radius in direct of anode are used, radius of disc source show focal spot of x-ray tube that here is 0.05 cm. In this simulation, anode is from tungsten with 18.9 g/cm3 density and angle of anode is 180. we simulated x-ray tube for 140 kv. For increasing of speed data acquisition we use F5 tally. With determination the exact position of F5 tally in program, outputs are acquired. In this spectrum the start point is about 0.02 Mev, the absorption edges are about 0.06 Mev and 0.07 Mev and average energy is about 0.05 Mev.Keywords: x-spectrum, simulation, Monte Carlo, MCNP4C code
Procedia PDF Downloads 6469603 Combination Rule for Homonuclear Dipole Dispersion Coefficients
Authors: Giorgio Visentin, Inna S. Kalinina, Alexei A. Buchachenko
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In the ambit of intermolecular interactions, a combination rule is defined as a relation linking a potential parameter for the interaction of two unlike species with the same parameters for interaction pairs of like species. Some of their most exemplificative applications cover the construction of molecular dynamics force fields and dispersion-corrected density functionals. Here, an extended combination rule is proposed, relating the dipole-dipole dispersion coefficients for the interaction of like target species to the same coefficients for the interaction of the target and a set of partner species. The rule can be devised in two different ways, either by uniform discretization of the Casimir-Polder integral on a Gauss-Legendre quadrature or by relating the dynamic polarizabilities of the target and the partner species. Both methods return the same system of linear equations, which requires the knowledge of the dispersion coefficients for interaction between the partner species to be solved. The test examples show a high accuracy for dispersion coefficients (better than 1% in the pristine test for the interaction of Yb atom with rare gases and alkaline-earth metal atoms). In contrast, the rule does not ensure correct monotonic behavior of the dynamic polarizability of the target species. Acknowledgment: The work is supported by Russian Science Foundation grant # 17-13-01466.Keywords: combination rule, dipole-dipole dispersion coefficient, Casimir-Polder integral, Gauss-Legendre quadrature
Procedia PDF Downloads 1789602 Experimental Damping Performance of Composite Materials with Different Fibre Orientations
Authors: Ferhat Kadioglu
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A clamped-free vibrating beam technique was used to evaluate dynamic properties of glass fiber reinforced polymer matrix composite. In the experiment, an electromagnetic shaker and a non-contact laser head were used to vibrate and to take the response of the specimens, respectively. Test results showed that damping and elastic modulus of the material, as dynamic properties, could be obtained successfully using this technique. It was found that the balanced and symmetric specimens with 45 degrees are the best for damping performance. It is believed that such results could be used for the modal design of aerospace structures.Keywords: composite materials, damping values, dynamic properties, non-contact measurements
Procedia PDF Downloads 3489601 A DFT-Based QSARs Study of Kovats Retention Indices of Adamantane Derivatives
Authors: Z. Bayat
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A quantitative structure–property relationship (QSPR) study was performed to develop models those relate the structures of 65 Kovats retention index (RI) of adamantane derivatives. Molecular descriptors derived solely from 3D structures of the molecular compounds. The usefulness of the quantum chemical descriptors, calculated at the level of the DFT theories using 6-311+G** basis set for QSAR study of adamantane derivatives was examined. The use of descriptors calculated only from molecular structure eliminates the need to experimental determination of properties for use in the correlation and allows for the estimation of RI for molecules not yet synthesized. The prediction results are in good agreement with the experimental value. A multi-parametric equation containing maximum Four descriptors at B3LYP/6-31+G** method with good statistical qualities (R2train=0.913, Ftrain=97.67, R2test=0.770, Ftest=3.21, Q2LOO=0.895, R2adj=0.904, Q2LGO=0.844) was obtained by Multiple Linear Regression using stepwise method.Keywords: DFT, adamantane, QSAR, Kovat
Procedia PDF Downloads 3669600 Automatic Classification Using Dynamic Fuzzy C Means Algorithm and Mathematical Morphology: Application in 3D MRI Image
Authors: Abdelkhalek Bakkari
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Image segmentation is a critical step in image processing and pattern recognition. In this paper, we proposed a new robust automatic image classification based on a dynamic fuzzy c-means algorithm and mathematical morphology. The proposed segmentation algorithm (DFCM_MM) has been applied to MR perfusion images. The obtained results show the validity and robustness of the proposed approach.Keywords: segmentation, classification, dynamic, fuzzy c-means, MR image
Procedia PDF Downloads 4799599 Dynamics Pattern of Land Use and Land Cover Change and Its Driving Factors Based on a Cellular Automata Markov Model: A Case Study at Ibb Governorate, Yemen
Authors: Abdulkarem Qasem Dammag, Basema Qasim Dammag, Jian Dai
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Change in Land use and Land cover (LU/LC) has a profound impact on the area's natural, economic, and ecological development, and the search for drivers of land cover change is one of the fundamental issues of LU/LC change. The study aimed to assess the temporal and Spatio-temporal dynamics of LU/LC in the past and to predict the future using Landsat images by exploring the characteristics of different LU/LC types. Spatio-temporal patterns of LU/LC change in Ibb Governorate, Yemen, were analyzed based on RS and GIS from 1990, 2005, and 2020. A socioeconomic survey and key informant interviews were used to assess potential drivers of LU/LC. The results showed that from 1990 to 2020, the total area of vegetation land decreased by 5.3%, while the area of barren land, grassland, built-up area, and waterbody increased by 2.7%, 1.6%, 1.04%, and 0.06%, respectively. Based on socio-economic surveys and key informant interviews, natural factors had a significant and long-term impact on land change. In contrast, site construction and socio-economic factors were the main driving forces affecting land change in a short time scale. The analysis results have been linked to the CA-Markov Land Use simulation and forecasting model for the years 2035 and 2050. The simulation results revealed from the period 2020 to 2050, the trend of dynamic changes in land use, where the total area of barren land decreased by 7.0% and grassland by 0.2%, while the vegetation land, built-up area, and waterbody increased by 4.6%, 2.6%, and 0.1 %, respectively. Overall, these findings provide LULC's past and future trends and identify drivers, which can play an important role in sustainable land use planning and management by balancing and coordinating urban growth and land use and can also be used at the regional level in different levels to provide as a reference. In addition, the results provide scientific guidance to government departments and local decision-makers in future land-use planning through dynamic monitoring of LU/LC change.Keywords: LU/LC change, CA-Markov model, driving forces, change detection, LU/LC change simulation
Procedia PDF Downloads 649598 Study the Dynamic Behavior of Irregular Buildings by the Analysis Method Accelerogram
Authors: Beciri Mohamed Walid
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Some architectural conditions required some shapes often lead to an irregular distribution of masses, rigidities and resistances. The main object of the present study consists in estimating the influence of the irregularity both in plan and in elevation which presenting some structures on the dynamic characteristics and his influence on the behavior of this structures. To do this, it is necessary to make apply both dynamic methods proposed by the RPA99 (spectral modal method and method of analysis by accelerogram) on certain similar prototypes and to analyze the parameters measuring the answer of these structures and to proceed to a comparison of the results.Keywords: structure, irregular, code, seismic, method, force, period
Procedia PDF Downloads 3109597 Simulation of a Sustainable Irrigation System Development: The Case of Sitio Kantaling Village Farm Lands, Danao City, Cebu, Philippines
Authors: Amando A. Radomes Jr., LLoyd Jun Benjamin T. Embernatre, Cherssy Kaye F. Eviota, Krizia Allyn L. Nunez, Jose Thaddeus B. Roble III
Abstract:
Sitio Kantaling is one of the 34 villages in Danao City, Cebu, in the central Philippines. As of 2015, the eight households in the mountainous village extending over 40 hectares of land area, including 12 hectares of arable land, are the source of over a fifth of the agricultural products that go into the city. Over the years, however, the local government had been concerned with the decline in agricultural productivity because increasing number of residents are migrating into the urban areas of the region to look for better employment opportunities. One of the major reasons for the agricultural productivity decline is underdeveloped irrigation infrastructure. The local government had partnered with the University of San Carlos to conduct research on developing an irrigation system that could sustainably meet both agricultural and household consumption needs. From a macro-perspective, a dynamic simulation model was developed to understand the long-term behavior of the status quo and proposed the system. Data on population, water supply and demand, household income, and urban migration were incorporated in the 20-year horizon model. The study also developed a smart irrigation system design. Instead of using electricity to pump water, a network of aqueducts with three main nodes had been designed and strategically located to take advantage of gravity to transport water from a spring. Simulation results showed that implementing a sustainable irrigation system would be able to significantly contribute to the socio-economic progress of the local community.Keywords: agriculture, aqueduct, simulation, sustainable irrigation system
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