Search results for: molecular dynamic simulation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 10103

Search results for: molecular dynamic simulation

8933 Robust Control of a Parallel 3-RRR Robotic Manipulator via μ-Synthesis Method

Authors: A. Abbasi Moshaii, M. Soltan Rezaee, M. Mohammadi Moghaddam

Abstract:

Control of some mechanisms is hard because of their complex dynamic equations. If part of the complexity is resulting from uncertainties, an efficient way for solving that is robust control. By this way, the control procedure could be simple and fast and finally, a simple controller can be designed. One kind of these mechanisms is 3-RRR which is a parallel mechanism and has three revolute joints. This paper aims to robust control a 3-RRR planner mechanism and it presents that this could be used for other mechanisms. So, a significant problem in mechanisms control could be solved. The relevant diagrams are drawn and they show the correctness of control process.

Keywords: 3-RRR, dynamic equations, mechanisms control, structural uncertainty

Procedia PDF Downloads 557
8932 Induction Heating Process Design Using Comsol® Multiphysics Software Version 4.2a

Authors: K. Djellabi, M. E. H. Latreche

Abstract:

Induction heating computer simulation is a powerful tool for process design and optimization, induction coil design, equipment selection, as well as education and business presentations. The authors share their vast experience in the practical use of computer simulation for different induction heating and heat treating processes. In this paper deals with mathematical modeling and numerical simulation of induction heating furnaces with axisymmetric geometries. For the numerical solution, we propose finite element methods combined with boundary (FEM) for the electromagnetic model using COMSOL® Multiphysics Software. Some numerical results for an industrial furnace are shown with high frequency.

Keywords: numerical methods, induction furnaces, induction heating, finite element method, Comsol multiphysics software

Procedia PDF Downloads 449
8931 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

Procedia PDF Downloads 362
8930 Study on Multi-Point Stretch Forming Process for Double Curved Surface

Authors: Jiwoo Park, Junseok Yoon, Jeong Kim, Beomsoo Kang

Abstract:

Multi-Point Stretch Forming (MPSF) process is suitable for flexible manufacturing, and it has several advantages including that it could be applied to various forming such as sheet metal forming, single curved surface forming and double curved one. In this study, a systematic numerical simulation was carried out for atypical double curved surface forming using the multiple die stretch forming process. In this simulation, urethane pads were defined based on hyper-elastic material model as a cushion for the smooth forming surface. The deformation behaviour on elastic recovery was also investigated to consider the exact result after the last forming process, and then the experiment was also carried out to confirm the formability of this forming process. By comparing the simulation and experiment results, the suitability of the multiple die stretch forming process for the atypical double curved surface was verified. Consequently, it is confirmed that the multi-point stretch forming process has the capability and feasibility of being used to manufacture the double curved surfaces of sheet metal.

Keywords: multi-point stretch forming, double curved surface, numerical simulation, manufacturing

Procedia PDF Downloads 480
8929 Isolation and Molecular Detection of Marek’s Disease Virus from Outbreak Cases in Chicken in South Western Ethiopia

Authors: Abdela Bulbula

Abstract:

Background: Marek’s disease virus is a devastating infection, causing high morbidity and mortality in chickens in Ethiopia. Methods: The current study was conducted from March to November, 2021 with the general objective of performing antemortem and postmortem, isolation, and molecular detection of Marek’s disease virus from outbreak cases in southwestern Ethiopia. Accordingly, based on outbreak information reported from the study sites namely, Bedelle, Yayo, and Bonga towns in southwestern Ethiopia, 50 sick chickens were sampled. The backyard and intensive farming systems of chickens were included in the sampling and priorities were given for chickens that showed clinical signs that are characteristics of Marek’s disease. Results: By clinical examinations, paralysis of legs and wings, gray eye, loss of weight, difficulty in breathing, and depression were recorded on all chickens sampled for this study and death of diseased chickens was observed. In addition, enlargement of the spleen and gross lesions of the liver and heart were recorded during postmortem examination. The death of infected chickens was observed in both vaccinated and non-vaccinated flocks. Out of 50 pooled feather follicle samples, Marek’s disease virus was isolated from 14/50 (28%) by cell culture method and out of six tissue samples, the virus was isolated from 5/6(83.30%). By Real time polymerization chain reaction technique, which was targeted to detect the Meq gene, Marek’s disease virus was detected from 18/50 feather follicles which accounts for 36% of sampled chickens. Conclusion: In general, the current study showed that the circulating Marek’s disease virus in southwestern Ethiopia was caused by the oncogenic Gallid herpesvirus-2 (Serotype-1). Further research on molecular characterization of revolving virus in current and other regions is recommended for effective control of the disease through vaccination.

Keywords: Ethioi, Marek's disease, isolation, molecular

Procedia PDF Downloads 69
8928 Bayesian Analysis of Topp-Leone Generalized Exponential Distribution

Authors: Najrullah Khan, Athar Ali Khan

Abstract:

The Topp-Leone distribution was introduced by Topp- Leone in 1955. In this paper, an attempt has been made to fit Topp-Leone Generalized exponential (TPGE) distribution. A real survival data set is used for illustrations. Implementation is done using R and JAGS and appropriate illustrations are made. R and JAGS codes have been provided to implement censoring mechanism using both optimization and simulation tools. The main aim of this paper is to describe and illustrate the Bayesian modelling approach to the analysis of survival data. Emphasis is placed on the modeling of data and the interpretation of the results. Crucial to this is an understanding of the nature of the incomplete or 'censored' data encountered. Analytic approximation and simulation tools are covered here, but most of the emphasis is on Markov chain based Monte Carlo method including independent Metropolis algorithm, which is currently the most popular technique. For analytic approximation, among various optimization algorithms and trust region method is found to be the best. In this paper, TPGE model is also used to analyze the lifetime data in Bayesian paradigm. Results are evaluated from the above mentioned real survival data set. The analytic approximation and simulation methods are implemented using some software packages. It is clear from our findings that simulation tools provide better results as compared to those obtained by asymptotic approximation.

Keywords: Bayesian Inference, JAGS, Laplace Approximation, LaplacesDemon, posterior, R Software, simulation

Procedia PDF Downloads 535
8927 Instant Location Detection of Objects Moving at High Speed in C-OTDR Monitoring Systems

Authors: Andrey V. Timofeev

Abstract:

The practical efficient approach is suggested to estimate the high-speed objects instant bounds in C-OTDR monitoring systems. In case of super-dynamic objects (trains, cars) is difficult to obtain the adequate estimate of the instantaneous object localization because of estimation lag. In other words, reliable estimation coordinates of monitored object requires taking some time for data observation collection by means of C-OTDR system, and only if the required sample volume will be collected the final decision could be issued. But it is contrary to requirements of many real applications. For example, in rail traffic management systems we need to get data off the dynamic objects localization in real time. The way to solve this problem is to use the set of statistical independent parameters of C-OTDR signals for obtaining the most reliable solution in real time. The parameters of this type we can call as 'signaling parameters' (SP). There are several the SP’s which carry information about dynamic objects instant localization for each of C-OTDR channels. The problem is that some of these parameters are very sensitive to dynamics of seismoacoustic emission sources but are non-stable. On the other hand, in case the SP is very stable it becomes insensitive as a rule. This report contains describing the method for SP’s co-processing which is designed to get the most effective dynamic objects localization estimates in the C-OTDR monitoring system framework.

Keywords: C-OTDR-system, co-processing of signaling parameters, high-speed objects localization, multichannel monitoring systems

Procedia PDF Downloads 470
8926 Dynamic Response of Nano Spherical Shell Subjected to Termo-Mechanical Shock Using Nonlocal Elasticity Theory

Authors: J. Ranjbarn, A. Alibeigloo

Abstract:

In this paper, we present an analytical method for analysis of nano-scale spherical shell subjected to thermo-mechanical shocks based on nonlocal elasticity theory. Thermo-mechanical properties of nano shpere is assumed to be temperature dependent. Governing partial differential equation of motion is solved analytically by using Laplace transform for time domain and power series for spacial domain. The results in Laplace domain is transferred to time domain by employing the fast inverse Laplace transform (FLIT) method. Accuracy of present approach is assessed by comparing the the numerical results with the results of published work in literature. Furtheremore, the effects of non-local parameter and wall thickness on the dynamic characteristics of the nano-sphere are studied.

Keywords: nano-scale spherical shell, nonlocal elasticity theory, thermomechanical shock, dynamic response

Procedia PDF Downloads 373
8925 Integrated Simulation and Optimization for Carbon Capture and Storage System

Authors: Taekyoon Park, Seokgoo Lee, Sungho Kim, Ung Lee, Jong Min Lee, Chonghun Han

Abstract:

CO2 capture and storage/sequestration (CCS) is a key technology for addressing the global warming issue. This paper proposes an integrated model for the whole chain of CCS, from a power plant to a reservoir. The integrated model is further utilized to determine optimal operating conditions and study responses to various changes in input variables.

Keywords: CCS, caron dioxide, carbon capture and storage, simulation, optimization

Procedia PDF Downloads 350
8924 Clustering of Natural and Nature Derived Compounds for Cardiovascular Disease: Pharmacophore Modeling

Authors: S. Roy, R. Rekha, K. Sriram, G. Subhadra, R. Johana

Abstract:

Cardiovascular disease remains a leading cause of death in most industrialized countries. Many chemical drugs are available in the market which targets different receptor proteins related to cardiovascular diseases. Of late the traditional herbal drugs are safer when compared to chemical drugs because of its side effects. However, many herbal remedies used in treating cardiovascular diseases have not undergone scientific assessment to prove its pharmacological activities. There are many natural compounds, nature derived and Natural product mimic compounds are available which are in the market as approved drug. In the most of the cases drug activity at the molecular level are not known. Here we have categorized those compounds with our experimental compounds in different classes based on the structural similarity and physicochemical properties, using a tool, Chemmine and has attempted to understand the mechanism of the action of a experimental compound, which are clustered with Simvastatin, Lovastatin, Mevastatin and Pravastatin. Target protein molecule for Simvastatin, Lovastatin, Mevastatin and Pravastatin is HMG-CoA reductase, so we concluded that the experimental compound may be able to bind to the same target. Molecular docking and atomic interaction studies with simvastatin and our experimental compound were compared. A pharmacophore modeling was done based on the experimental compound and HMG-CoA reductase inhibitor.

Keywords: molecular docking, physicochemical properties, pharmacophore modeling structural similarity, pravastatin

Procedia PDF Downloads 321
8923 Effect of Density on the Shear Modulus and Damping Ratio of Saturated Sand in Small Strain

Authors: M. Kakavand, S. A. Naeini

Abstract:

Dynamic properties of soil in small strains, especially for geotechnical engineers, are important for describing the behavior of soil and estimation of the earth structure deformations and structures, especially significant structures. This paper presents the effect of density on the shear modulus and damping ratio of saturated clean sand at various isotropic confining pressures. For this purpose, the specimens were compared with two different relative densities, loose Dr = 30% and dense Dr = 70%. Dynamic parameters were attained from a series of consolidated undrained fixed – free type torsional resonant column tests in small strain. Sand No. 161 is selected for this paper. The experiments show that by increasing sand density and confining pressure, the shear modulus increases and the damping ratio decreases.

Keywords: dynamic properties, shear modulus, damping ratio, clean sand, density, confining pressure, resonant column/torsional simple shear, TSS

Procedia PDF Downloads 122
8922 Application of Transform Fourier for Dynamic Control of Structures with Global Positioning System

Authors: J. M. de Luis Ruiz, P. M. Sierra García, R. P. García, R. P. Álvarez, F. P. García, E. C. López

Abstract:

Given the evolution of viaducts, structural health monitoring requires more complex techniques to define their state. two alternatives can be distinguished: experimental and operational modal analysis. Although accelerometers or Global Positioning System (GPS) have been applied for the monitoring of structures under exploitation, the dynamic monitoring during the stage of construction is not common. This research analyzes whether GPS data can be applied to certain dynamic geometric controls of evolving structures. The fundamentals of this work were applied to the New Bridge of Cádiz (Spain), a worldwide milestone in bridge building. GPS data were recorded with an interval of 1 second during the erection of segments and turned to the frequency domain with Fourier transform. The vibration period and amplitude were contrasted with those provided by the finite element model, with differences of less than 10%, which is admissible. This process provides a vibration record of the structure with GPS, avoiding specific equipment.

Keywords: Fourier transform, global position system, operational modal analysis, structural health monitoring

Procedia PDF Downloads 246
8921 Battery Energy Storage System Economic Benefits Assessment on a Network Frequency Control

Authors: Kréhi Serge Agbli, Samuel Portebos, Michaël Salomon

Abstract:

Here a methodology is considered aiming at evaluating the economic benefit of the provision of a primary frequency control unit using a Battery Energy Storage System (BESS). In this methodology, two control types (basic and hysteresis) are implemented and the corresponding minimum energy storage system power allowing to maintain the frequency drop inside a given threshold under a given contingency is identified and compared using DigSilent’s PowerFactory software. Following this step, the corresponding energy storage capacity (in MWh) is calculated. As PowerFactory is dedicated to dynamic simulation for transient analysis, a first order model related to the IEEE 9 bus grid used for the analysis under PowerFactory is characterized and implemented on MATLAB-Simulink. Primary frequency control is simulated using the two control types over one-month grid's frequency deviation data on this Simulink model. This simulation results in the energy throughput both basic and hysteresis BESSs. It emerges that the 15 minutes operation band of the battery capacity allocated to frequency control is sufficient under the considered disturbances. A sensitivity analysis on the width of the control deadband is then performed for the two control types. The deadband width variation leads to an identical sizing with the hysteresis control showing a better frequency control at the cost of a higher delivered throughput compared to the basic control. An economic analysis comparing the cost of the sized BESS to the potential revenues is then performed.

Keywords: battery energy storage system, electrical network frequency stability, frequency control unit, PowerFactor

Procedia PDF Downloads 129
8920 Designing and Simulation of a CMOS Square Root Analog Multiplier

Authors: Milad Kaboli

Abstract:

A new CMOS low voltage current-mode four-quadrant analog multiplier based on the squarer circuit with voltage output is presented. The proposed circuit is composed of a pair of current subtractors, a pair differential-input V-I converters and a pair of voltage squarers. The circuit was simulated using HSPICE simulator in standard 0.18 μm CMOS level 49 MOSIS (BSIM3 V3.2 SPICE-based). Simulation results show the performance of the proposed circuit and experimental results are given to confirm the operation. This topology of multiplier results in a high-frequency capability with low power consumption. The multiplier operates for a power supply ±1.2V. The simulation results of analog multiplier demonstrate a THD of 0.65% in 10MHz, a −3dB bandwidth of 1.39GHz, and a maximum power consumption of 7.1mW.

Keywords: analog processing circuit, WTA, LTA, low voltage

Procedia PDF Downloads 476
8919 Modeling and Prediction of Hot Deformation Behavior of IN718

Authors: M. Azarbarmas, J. M. Cabrera, J. Calvo, M. Aghaie-Khafri

Abstract:

The modeling of hot deformation behavior for unseen conditions is important in metal-forming. In this study, the hot deformation of IN718 has been characterized in the temperature range 950-1100 and strain rate range 0.001-0.1 s-1 using hot compression tests. All stress-strain curves showed the occurrence of dynamic recrystallization. These curves were implemented quantitatively in mathematics, and then constitutive equation indicating the relationship between the flow stress and hot deformation parameters was obtained successfully.

Keywords: compression test, constitutive equation, dynamic recrystallization, hot working

Procedia PDF Downloads 425
8918 Investigation on Development of Pv and Wind Power with Hydro Pumped Storage to Increase Renewable Energy Penetration: A Parallel Analysis of Taiwan and Greece

Authors: Robel Habtemariam

Abstract:

Globally, wind energy and photovoltaics (PV) solar energy are among the leading renewable energy sources (RES) in terms of installed capacity. In order to increase the contribution of RES to the power supply system, large scale energy integration is required, mainly due to wind energy and PV. In this paper, an investigation has been made on the electrical power supply systems of Taiwan and Greece in order to integrate high level of wind and photovoltaic (PV) to increase the penetration of renewable energy resources. Currently, both countries heavily depend on fossil fuels to meet the demand and to generate adequate electricity. Therefore, this study is carried out to look into the two cases power supply system by developing a methodology that includes major power units. To address the analysis, an approach for simulation of power systems is formulated and applied. The simulation is based on the non-dynamic analysis of the electrical system. This simulation results in calculating the energy contribution of different types of power units; namely the wind, PV, non-flexible and flexible power units. The calculation is done for three different scenarios (2020, 2030, & 2050), where the first two scenarios are based on national targets and scenario 2050 is a reflection of ambitious global targets. By 2030 in Taiwan, the input of the power units is evaluated as 4.3% (wind), 3.7% (PV), 65.2 (non-flexible), 25.3% (flexible), and 1.5% belongs to hydropower plants. In Greece, much higher renewable energy contribution is observed for the same scenario with 21.7% (wind), 14.3% (PV), 38.7% (non-flexible), 14.9% (flexible), and 10.3% (hydro). Moreover, it examines the ability of the power systems to deal with the variable nature of the wind and PV generation. For this reason, an investigation has also been done on the use of the combined wind power with pumped storage systems (WPS) to enable the system to exploit the curtailed wind energy & surplus PV and thus increase the wind and PV installed capacity and replace the peak supply by conventional power units. Results show that the feasibility of pumped storage can be justified in the high scenario (that is the scenario of 2050) of RES integration especially in the case of Greece.

Keywords: large scale energy integration, photovoltaics solar energy, pumped storage systems, renewable energy sources

Procedia PDF Downloads 277
8917 Cholinesterase Inhibitory Indole Alkaloids from the Bark of Rauvolfia reflexa

Authors: Mehran Fadaeinasab, Alireza Basiri, Yalda Kia, Hamed Karimian, Hapipah Mohd Ali, Vikneswaran Murugaiyah

Abstract:

Two new, rauvolfine C and 3- methyl-10,11-dimethoxyl-6- methoxycarbonyl- β- carboline, along with five known indole alkaloids, macusine B, vinorine, undulifoline, isoresrpiline and rescinnamine were isolated from the bark of Rauvolfia reflexa. All the compounds showed good to moderate cholinesterase inhibitory activity with IC50 values in the range of 8.06 to 73.23 πM, except rauvolfine C that was inactive against acetylcholinesterase (AChE). Rescinnamine, a dual inhibitor was found to be the most potent inhibitor among the isolated alkaloids against both AChE and butyrylcholinesterase (BChE). Molecular docking revealed that rescinnamine interacted differently on AChE and BChE, by means of hydrophobic interactions and hydrogen bonding.

Keywords: Rauvolfia reflexa, indole alkaloids, acetylcholinesterase, butyrylcholinesterase, molecular docking

Procedia PDF Downloads 592
8916 Impact of Mass Customization for 3D Geographic Information Systems under Turbulent Environments

Authors: Abdo Shabah

Abstract:

Mass customization aims to produce customized goods (allowing economies of scope) at lower cost (to achieve economies of scale) using multiple strategies (modularization and postponement). Through a simulation experiment of organizations under turbulent environment, we aim to compare standardization and mass customization of services and assess the impact of different forms of mass customization (early and late postponement) on performance, quality and consumer satisfaction, on the use of modular dynamic 3D Geographic Information System. Our hypothesis is that mass customization performs better and achieves better quality in turbulent environment than standardization, but only when using early postponement strategies. Using mixed methods study, we try to confirm our hypothesis.

Keywords: mass customization, postponement, experiment, performance, quality, satisfaction, 3D GIS

Procedia PDF Downloads 453
8915 Evaluation of Coupled CFD-FEA Simulation for Fire Determination

Authors: Daniel Martin Fellows, Sean P. Walton, Jennifer Thompson, Oubay Hassan, Ella Quigley, Kevin Tinkham

Abstract:

Fire performance is a crucial aspect to consider when designing cladding products, and testing this performance is extremely expensive. Appropriate use of numerical simulation of fire performance has the potential to reduce the total number of fire tests required when designing a product by eliminating poor-performing design ideas early in the design phase. Due to the complexity of fire and the large spectrum of failures it can cause, multi-disciplinary models are needed to capture the complex fire behavior and its structural effects on its surroundings. Working alongside Tata Steel U.K., the authors have focused on completing a coupled CFD-FEA simulation model suited to test Polyisocyanurate (PIR) based sandwich panel products to gain confidence before costly experimental standards testing. The sandwich panels are part of a thermally insulating façade system primarily for large non-domestic buildings. The work presented in this paper compares two coupling methodologies of a replicated physical experimental standards test LPS 1181-1, carried out by Tata Steel U.K. The two coupling methodologies that are considered within this research are; one-way and two-way. A one-way coupled analysis consists of importing thermal data from the CFD solver into the FEA solver. A two-way coupling analysis consists of continuously importing the updated changes in thermal data, due to the fire's behavior, to the FEA solver throughout the simulation. Likewise, the mechanical changes will also be updated back to the CFD solver to include geometric changes within the solution. For CFD calculations, a solver called Fire Dynamic Simulator (FDS) has been chosen due to its adapted numerical scheme to focus solely on fire problems. Validation of FDS applicability has been achieved in past benchmark cases. In addition, an FEA solver called ABAQUS has been chosen to model the structural response to the fire due to its crushable foam plasticity model, which can accurately model the compressibility of PIR foam. An open-source code called FDS-2-ABAQUS is used to couple the two solvers together, using several python modules to complete the process, including failure checks. The coupling methodologies and experimental data acquired from Tata Steel U.K are compared using several variables. The comparison data includes; gas temperatures, surface temperatures, and mechanical deformation of the panels. Conclusions are drawn, noting improvements to be made on the current coupling open-source code FDS-2-ABAQUS to make it more applicable to Tata Steel U.K sandwich panel products. Future directions for reducing the computational cost of the simulation are also considered.

Keywords: fire engineering, numerical coupling, sandwich panels, thermo fluids

Procedia PDF Downloads 89
8914 An Analytical Study of Small Unmanned Arial Vehicle Dynamic Stability Characteristics

Authors: Abdelhakam A. Noreldien, Sakhr B. Abudarag, Muslim S. Eltoum, Salih O. Osman

Abstract:

This paper presents an analytical study of Small Unmanned Aerial Vehicle (SUAV) dynamic stability derivatives. Simulating SUAV dynamics and analyzing its behavior at the earliest design stages is too important and more efficient design aspect. The approach suggested in this paper is using the wind tunnel experiment to collect the aerodynamic data and get the dynamic stability derivatives. AutoCAD Software was used to draw the case study (wildlife surveillance SUAV). The SUAV is scaled down to be 0.25% of the real SUAV dimensions and converted to a wind tunnel model. The model was tested in three different speeds for three different attitudes which are; pitch, roll and yaw. The wind tunnel results were then used to determine the case study stability derivative values, and hence it used to calculate the roots of the characteristic equation for both longitudinal and lateral motions. Finally, the characteristic equation roots were found and discussed in all possible cases.

Keywords: model, simulating, SUAV, wind tunnel

Procedia PDF Downloads 375
8913 Synthesis and Molecular Docking of Isonicotinohydrazide Derivatives as Anti-Tuberculosis Candidates

Authors: Ruswanto Ruswanto, Richa Mardianingrum, Tita Nofianti, Nur Rahayuningsih

Abstract:

Tuberculosis (TB) is a chronic disease as a result of Mycobacterium tuberculosis. It can affect all age groups, and hence, is a global health problem that causes the death of millions of people every year. One of the drugs used in tuberculosis treatment is isonicotinohydrazide. In this study, N'-benzoylisonicotinohydrazide derivative compounds (a-l) were prepared using acylation reactions between isonicotinohydrazide and benzoyl chloride derivatives, through the reflux method. Molecular docking studies suggested that all of the compounds had better interaction with Mycobacterium tuberculosis enoyl-acyl carrier protein reductase (InhA) than isonicotinohydrazide. It can be concluded that N'-benzoylisonicotinohydrazide derivatives (a-l) could be used as anti-tuberculosis candidates. From the docking results revealed that all of the compounds interact well with InhA, with compound g (N'-(3-nitrobenzoyl)isonicotinohydrazide) exhibiting the best interaction.

Keywords: anti-tuberculosis , docking, InhA, N'-benzoylisonicotinohydrazide, synthesis

Procedia PDF Downloads 310
8912 The Role of Nano Glass Flakes on Morphology, Dynamic-Mechanical Properties and Crystallization Behavior of Poly (Ethylene Terephthalate)

Authors: Fatemeh Alsadat Miri, Morteza Ehsani, Hossein Ali Khonakdar, Behjat Kavyani

Abstract:

This paper studies the effect of nano glass flakes on morphology, dynamic-mechanical properties, and crystallization behavior of poly (ethylene terephthalate) (PET). The concentration of nano glass flakes was varied from 0.5, 1, 2, and 3% wt of the total formulation. Scanning electron microscopy (SEM) micrographs showed the poor distribution of nano-glass flake particles in PET, as well as low adhesion of particles to the polymer matrix. According to differential scanning calorimetry (DSC), the crystallization rate and crystallization temperature of PET were increased by the addition of nano glass flakes. The crystallization rate of PET was increased from 31.41% to 34.25% by the incorporation of 1%wt of nano glass flakes. Based on the results of the dynamic-mechanical analysis, the storage modulus of PET gets increased by adding nano glass flakes, especially below glass transition temperature (Tg). The glass transition of PET did not change remarkably with the addition of nano glass flakes. Moreover, the use of nano glass flakes reduced the impact strength of PET.

Keywords: PET, nano glass flakes, morphology, crystallization

Procedia PDF Downloads 127
8911 Tracy: A Java Library to Render a 3D Graphical Human Model

Authors: Sina Saadati, Mohammadreza Razzazi

Abstract:

Since Java is an object-oriented language, It can be used to solve a wide range of problems. One of the considerable usages of this language can be found in Agent-based modeling and simulation. Despite the significant power of Java, There is not an easy method to render a 3-dimensional human model. In this article, we are about to develop a library which helps modelers present a 3D human model and control it with Java. The library runs two server programs. The first one is a web page server that can connect to any browser and present an HTML code. The second server connects to the browser and controls the movement of the model. So, the modeler will be able to develop a simulation and display a good-looking human model without any knowledge of any graphical tools.

Keywords: agent-based modeling and simulation, human model, graphics, Java, distributed systems

Procedia PDF Downloads 111
8910 A Study on Effect of Dynamic Loading Speed on the Fracture Toughness of Equivalent Stress Gradient (ESG) Specimen

Authors: Moon Byung Woo, Seok Chang-Sung, Koo Jae-Mean, Kim Sang-Young, Choi Jae Gu, Huh Nam-Su

Abstract:

Recently, the occurrence of the earthquake has increased sharply and many of the casualties have occurred worldwide, due to the influence of earthquakes. Especially, the Fukushima nuclear power plant accident which was caused by the earthquake in 2011 has significantly increased the fear of people and the demand for the safety of the nuclear power plant. Thus, in order to prevent the earthquake accident at nuclear power plant, it is important to evaluate the fracture toughness considering the seismic loading rate. To obtain fracture toughness for the safety evaluation of nuclear power plant, it is desirable to perform experiments with a real scale pipe which is expensive and hard to perform. Therefore, many researchers have proposed various test specimens to replicate the fracture toughness of a real scale pipe. Since such specimens have several problems, the equivalent stress gradient (ESG) specimen has been recently suggested. In this study, in order to consider the effects of the dynamic loading speed on fracture toughness, the experiment was conducted by applying five different kinds of test speeds using an ESG specimen. In addition, after we performed the fracture toughness test under dynamic loading with different speeds using an ESG specimen and a standard specimen, we compared them with the test results under static loading.

Keywords: dynamic loading speed, fracture toughness, load-ratio-method, equivalent stress gradient (ESG) specimen

Procedia PDF Downloads 309
8909 A Simulation Modeling Approach for Optimization of Storage Space Allocation in Container Terminal

Authors: Gamal Abd El-Nasser A. Said, El-Sayed M. El-Horbaty

Abstract:

Container handling problems at container terminals are NP-hard problems. This paper presents an approach using discrete-event simulation modeling to optimize solution for storage space allocation problem, taking into account all various interrelated container terminal handling activities. The proposed approach is applied on a real case study data of container terminal at Alexandria port. The computational results show the effectiveness of the proposed model for optimization of storage space allocation in container terminal where 54% reduction in containers handling time in port is achieved.

Keywords: container terminal, discrete-event simulation, optimization, storage space allocation

Procedia PDF Downloads 325
8908 Thermodynamic Analysis of Surface Seawater under Ocean Warming: An Integrated Approach Combining Experimental Measurements, Theoretical Modeling, Machine Learning Techniques, and Molecular Dynamics Simulation for Climate Change Assessment

Authors: Nishaben Desai Dholakiya, Anirban Roy, Ranjan Dey

Abstract:

Understanding ocean thermodynamics has become increasingly critical as Earth's oceans serve as the primary planetary heat regulator, absorbing approximately 93% of excess heat energy from anthropogenic greenhouse gas emissions. This investigation presents a comprehensive analysis of Arabian Sea surface seawater thermodynamics, focusing specifically on heat capacity (Cp) and thermal expansion coefficient (α) - parameters fundamental to global heat distribution patterns. Through high-precision experimental measurements of ultrasonic velocity and density across varying temperature (293.15-318.15K) and salinity (0.5-35 ppt) conditions, it characterize critical thermophysical parameters including specific heat capacity, thermal expansion, and isobaric and isothermal compressibility coefficients in natural seawater systems. The study employs advanced machine learning frameworks - Random Forest, Gradient Booster, Stacked Ensemble Machine Learning (SEML), and AdaBoost - with SEML achieving exceptional accuracy (R² > 0.99) in heat capacity predictions. the findings reveal significant temperature-dependent molecular restructuring: enhanced thermal energy disrupts hydrogen-bonded networks and ion-water interactions, manifesting as decreased heat capacity with increasing temperature (negative ∂Cp/∂T). This mechanism creates a positive feedback loop where reduced heat absorption capacity potentially accelerates oceanic warming cycles. These quantitative insights into seawater thermodynamics provide crucial parametric inputs for climate models and evidence-based environmental policy formulation, particularly addressing the critical knowledge gap in thermal expansion behavior of seawater under varying temperature-salinity conditions.

Keywords: climate change, arabian sea, thermodynamics, machine learning

Procedia PDF Downloads 4
8907 Magneto-Transport of Single Molecular Transistor Using Anderson-Holstein-Caldeira-Leggett Model

Authors: Manasa Kalla, Narasimha Raju Chebrolu, Ashok Chatterjee

Abstract:

We have studied the quantum transport properties of a single molecular transistor in the presence of an external magnetic field using the Keldysh Green function technique. We also used the Anderson-Holstein-Caldeira-Leggett Model to describe the single molecular transistor that consists of a molecular quantum dot (QD) coupled to two metallic leads and placed on a substrate that acts as a heat bath. The phonons are eliminated by the Lang-Firsov transformation and the effective Hamiltonian is used to study the effect of an external magnetic field on the spectral density function, Tunneling Current, Differential Conductance and Spin polarization. A peak in the spectral function corresponds to a possible excitation. In the presence of a magnetic field, the spin-up and spin-down states are degenerate and this degeneracy is lifted by the magnetic field leading to the splitting of the central peak of the spectral function. The tunneling current decreases with increasing magnetic field. We have observed that even the differential conductance peak in the zero magnetic field curve is split in the presence electron-phonon interaction. As the magnetic field is increased, each peak splits into two peaks. And each peak indicates the existence of an energy level. Thus the number of energy levels for transport in the bias window increases with the magnetic field. In the presence of the electron-phonon interaction, Differential Conductance in general gets reduced and decreases faster with the magnetic field. As magnetic field strength increases, the spin polarization of the current is increasing. Our results show that a strongly interacting QD coupled to metallic leads in the presence of external magnetic field parallel to the plane of QD acts as a spin filter at zero temperature.

Keywords: Anderson-Holstein model, Caldeira-Leggett model, spin-polarization, quantum dots

Procedia PDF Downloads 185
8906 Analysis of Solar Thermal Power Plant in Algeria

Authors: M. Laissaoui

Abstract:

The present work has for objective the simulation of a hybrid solar combined cycle power plant, compared with combined cycle conventional (gas turbine and steam turbine), this type of power plants disposed an solar tour (heliostat field and volumetric receiver) insurant a part of the thermal energy necessary for the functioning of the gas turbine. This solar energy serves to feed with heat the combustion air of the gas turbine when he out of the compressor and the front entered the combustion chamber. The simulation of even central and made for three zones deferential to know the zone of Hassi R' mel, Bechare, and the zone of Messaad wilaya of El djelfa. The radiometric and meteorological data arise directly from the software meteonorme 7. The simulation of the energy performances is made by the software TRNSYS 16.1.

Keywords: concentrating solar power, heliostat, thermal, Algeria

Procedia PDF Downloads 468
8905 Vehicle Maneuverability on Horizontal Curves on Hilly Terrain: A Study on Shillong Highway

Authors: Surendra Choudhary, Sapan Tiwari

Abstract:

The driver has two fundamental duties i) controlling the position of the vehicle along the longitudinal and lateral direction of movement ii) roadway width. Both of these duties are interdependent and are concurrently referred to as two-dimensional driver behavior. One of the main problems facing driver behavior modeling is to identify the parameters for describing the exemplary driving conduct and car maneuver under distinct traffic circumstances. Still, to date, there is no well-accepted theory that can comprehensively model the 2-D driver conduct (longitudinal and lateral). The primary objective of this research is to explore the vehicle's lateral longitudinal behavior in the heterogeneous condition of traffic on horizontal curves as well as the effect of road geometry on dynamic traffic parameters, i.e., car velocity and lateral placement. In this research, with their interrelationship, a thorough assessment of dynamic car parameters, i.e., speed, lateral acceleration, and turn radius. Also, horizontal curve road parameters, i.e., curvature radius, pavement friction, are performed. The dynamic parameters of the various types of car drivers are gathered using a VBOX GPS-based tool with high precision. The connection between dynamic car parameters and curve geometry is created after the removal of noise from the GPS trajectories. The major findings of the research are that car maneuvers with higher than the design limits of speed, acceleration, and lateral deviation on the studied curves of the highway. It can become lethal if the weather changes from dry to wet.

Keywords: geometry, maneuverability, terrain, trajectory, VBOX

Procedia PDF Downloads 143
8904 Multiscale Process Modeling Analysis for the Prediction of Composite Strength Allowables

Authors: Marianna Maiaru, Gregory M. Odegard

Abstract:

During the processing of high-performance thermoset polymer matrix composites, chemical reactions occur during elevated pressure and temperature cycles, causing the constituent monomers to crosslink and form a molecular network that gradually can sustain stress. As the crosslinking process progresses, the material naturally experiences a gradual shrinkage due to the increase in covalent bonds in the network. Once the cured composite completes the cure cycle and is brought to room temperature, the thermal expansion mismatch of the fibers and matrix cause additional residual stresses to form. These compounded residual stresses can compromise the reliability of the composite material and affect the composite strength. Composite process modeling is greatly complicated by the multiscale nature of the composite architecture. At the molecular level, the degree of cure controls the local shrinkage and thermal-mechanical properties of the thermoset. At the microscopic level, the local fiber architecture and packing affect the magnitudes and locations of residual stress concentrations. At the macroscopic level, the layup sequence controls the nature of crack initiation and propagation due to residual stresses. The goal of this research is use molecular dynamics (MD) and finite element analysis (FEA) to predict the residual stresses in composite laminates and the corresponding effect on composite failure. MD is used to predict the polymer shrinkage and thermomechanical properties as a function of degree of cure. This information is used as input into FEA to predict the residual stresses on the microscopic level resulting from the complete cure process. Virtual testing is subsequently conducted to predict strength allowables. Experimental characterization is used to validate the modeling.

Keywords: molecular dynamics, finite element analysis, processing modeling, multiscale modeling

Procedia PDF Downloads 92