Search results for: multi-scenario simulation

Authors: Zdeněk Veselý, Milan Honner, Jiří Mach

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The aim of the performed work is to establish the 2D and 3D model of direct unsteady task of sample heat treatment by moving source employing computer model on the basis of finite element method. The complex boundary condition on heat loaded sample surface is the essential feature of the task. Computer model describes heat treatment of the sample during heat source movement over the sample surface. It is started from the 2D task of sample cross section as a basic model. Possibilities of extension from 2D to 3D task are discussed. The effect of the addition of third model dimension on the temperature distribution in the sample is showed. Comparison of various model parameters on the sample temperatures is observed. Influence of heat source motion on the depth of material heat treatment is shown for several velocities of the movement. Presented computer model is prepared for the utilization in laser treatment of machine parts.

Keywords: computer simulation, unsteady model, heat treatment, complex boundary condition, moving heat source

Procedia PDF Downloads 393

Authors: Muluegziabher Semagne Mekonnen

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This study was intended to show the irrigation water requirements and evaluation of canal hydraulics steady state conditions to improve on scheme performance of the Meki-Ziway irrigation project. The methodology used was the CROPWAT 8.0 model to estimate the irrigation water requirements of five major crops irrigated in the study area. The results showed that for the whole existing and potential irrigation development area of 2000 ha and 2599 ha, crop water requirements were 3,339,200 and 4,339,090.4 m³, respectively. Hydraulic simulation models are fundamental tools for understanding the hydraulic flow characteristics of irrigation systems. Hydraulic simulation models are fundamental tools for understanding the hydraulic flow characteristics of irrigation systems. In this study Hydraulic Analysis of Irrigation Canals Using HEC-RAS Model was conducted in Meki-Ziway Irrigation Scheme. The HEC-RAS model was tested in terms of error estimation and used to determine canal capacity potential.

Keywords: HEC-RAS, irrigation, hydraulic. canal reach, capacity

Procedia PDF Downloads 60

Authors: Draou Azeddine, Mazin Alahmadi, Abdulrahmane Alkassem, Alamri Abdullah

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The demand for electric power in Saudi Arabia is steadily increasing with economic growth. More power plants should be installed to increase generation capacity and meet demand. Electricity in Saudi Arabia is mainly dependent on fossil fuels, which are a major problem as they deplete natural resources and increase CO₂ emissions. In this research work, performance and techno-economic analyzes are conducted to evaluate a microgrid system based on hybrid PV/wind diesel power sources as a stand-alone system for rural electrification in Saudi Arabia. The total power flow, maximum power point tracking (MPPT) efficiency, effectiveness of the proposed control strategy, and total harmonic distortion (THD) are analyzed in MATLAB/Simulink environment. Various simulation studies have been carried out under different irradiation conditions. The sizing, optimization, and economic feasibility analysis were performed using Homer energy software.

Keywords: WIND, solar, microgrid, energy

Procedia PDF Downloads 108

Authors: Xiaoyu Shen, Fang Fang, Chujun Qiu

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Herewith we present a Fourier method for credit risk quantification and allocation in the factor-copula model framework. The key insight is that, compared to directly computing the cumulative distribution function of the portfolio loss via Monte Carlo simulation, it is, in fact, more efficient to calculate the transformation of the distribution function in the Fourier domain instead and inverting back to the real domain can be done in just one step and semi-analytically, thanks to the popular COS method (with some adjustments). We also show that the Euler risk allocation problem can be solved in the same way since it can be transformed into the problem of evaluating a conditional cumulative distribution function. Once the conditional or unconditional cumulative distribution function is known, one can easily calculate various risk metrics. The proposed method not only fills the niche in literature, to the best of our knowledge, of accurate numerical methods for risk allocation but may also serve as a much faster alternative to the Monte Carlo simulation method for risk quantification in general. It can cope with various factor-copula model choices, which we demonstrate via examples of a two-factor Gaussian copula and a two-factor Gaussian-t hybrid copula. The fast error convergence is proved mathematically and then verified by numerical experiments, in which Value-at-Risk, Expected Shortfall, and conditional Expected Shortfall are taken as examples of commonly used risk metrics. The calculation speed and accuracy are tested to be significantly superior to the MC simulation for real-sized portfolios. The computational complexity is, by design, primarily driven by the number of factors instead of the number of obligors, as in the case of Monte Carlo simulation. The limitation of this method lies in the "curse of dimension" that is intrinsic to multi-dimensional numerical integration, which, however, can be relaxed with the help of dimension reduction techniques and/or parallel computing, as we will demonstrate in a separate paper. The potential application of this method has a wide range: from credit derivatives pricing to economic capital calculation of the banking book, default risk charge and incremental risk charge computation of the trading book, and even to other risk types than credit risk.

Keywords: credit portfolio, risk allocation, factor copula model, the COS method, Fourier method

Procedia PDF Downloads 166

Authors: M. Zulfiker Mahmud, M. Naimur Rahman, Farhad Bin Ashraf, Norbahiah Misran, Mohammad Tariqul Islam

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This study proposes a diamond-shaped microstrip patch antenna for ultra-wideband applications. The antenna is made up of a diamond shape radiating patch, partial ground plane, and three asterisk-shaped parasitic elements. The parasitic elements are positioned above the ground plane to enhance the bandwidth and gain. The proposed antenna has a compact dimension of 30 x 25 x 1.6 mm3 and achieves an overall bandwidth (S11<-10dB) is 5.8 GHz from 2.7 GHz to 8.5 GHz. The antenna attains more than 4 dBi realized the gain and 80% efficiency over the bandwidth with omnidirectional radiation pattern. The design and simulation of the proposed antenna are performed in Computer Simulation Technology (CST) Microwave Studio. The observation during the analysis of the simulated data reveals that the proposed antenna is suitable for Ultra wide-band (UWB) applications where high gain is required.

Keywords: diamond-shaped antenna, microstrip antenna, parasitic resonator, UWB applications

Procedia PDF Downloads 223

Authors: Samira Alvandi

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In the context of the circular economy, production planning aims to eliminate waste and emissions and maximize resource efficiency. Historically production planning is challenged through arrays of uncertainty and complexity arising from the interdependence and variability of products, processes, and systems. Manufacturers worldwide are facing new challenges in tackling various environmental issues such as climate change, resource depletion, and land degradation. In managing the inherited complexity and uncertainty and yet maintaining profitability, the manufacturing sector is in need of a holistic framework that supports energy efficiency and carbon emission reduction schemes. The proposed framework addresses the current challenges and integrates simulation modeling with optimization for finding optimal machine-job allocation to maximize throughput and total energy consumption while minimizing lead time. The aluminium refinery facility in western Sydney, Australia, is used as an exemplar to validate the proposed framework.

Keywords: smart production planning, simulation-optimisation, energy aware capacity planning, energy intensive industries

Procedia PDF Downloads 76

Authors: Z. Jamalzadeh, A. Niaei, H. Erfannia

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Due to developing industries, the emission of pollutants such as NOx, SOx, and CO2 are rapidly increased. Generally, NOx is attributed to the mono nitrogen oxides of NO and NO2 that is one of the most important atmospheric contaminants. Hence, controlling the emission of nitrogen oxides is environmentally urgent. Selective catalytic reduction of NOx is one of the most common techniques for NOx removal in which zeolites have wide application due to their high performance. In zeolitic processes, the catalytic reaction occurs mostly in the pores. Therefore, investigation of the adsorption phenomena of the molecules in order to gain an insight and understand the catalytic cycle is of important. Hence, in current study, benefiting from molecular simulations, the adsorption phenomena in the nanocatalysts of SCR of NOx process was investigated in order to get a good insight of the catalysts’ behavior. The effect of cation addition to the support in the catalysts’ behavior through adsorption step was explored by Mont Carlo (MC) using Materials Studio Package. Simulation time of 1 Ns accompanying 1 fs time step, COMPASS27 Force Field and the cut off radios of 12.5 Ȧ was applied for performed runs. It was observed that the adsorption capacity increases in the presence of cations. The sorption isotherms demonstrated the behavior of type I isotherm categories and sorption capacity diminished with increase in temperature whereas an increase was observed at high pressures. Besides, NO sorption showed higher sorption capacity than NH3 in H–ZSM5. In this respect, the energy distributions signified that the molecules could adsorb in just one sorption site at the catalyst and the sorption energy of NO was stronger than the NH3 in H-ZSM5. Furthermore, the isosteric heat of sorption data showed nearly same values for the molecules; however, it indicated stronger interactions of NO molecules with H-ZSM5 zeolite compared to the isosteric heat of NH3 which was low in value.

Keywords: Monte Carlo simulation, adsorption, NOx, ZSM5

Procedia PDF Downloads 359

Authors: Yu-Kai Ting, Jia-Ying Tu, Chung-Chun Hsiao

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New physical insights into the nonlinear Lorenz equations related to flow resistance is discussed in this work. The chaotic dynamics related to Lorenz equations has been studied in many papers, which is due to the sensitivity of Lorenz equations to initial conditions and parameter uncertainties. However, the physical implication arising from Lorenz equations about convectional motion attracts little attention in the relevant literature. Therefore, as a first step to understand the related fluid mechanics of convectional motion, this paper derives the Lorenz equations again with different forced conditions in the model. Simulation work of the modified Lorenz equations without the viscosity or buoyancy force is discussed. The time-domain simulation results may imply that the states of the Lorenz equations are related to certain flow speed and flow resistance. The flow speed of the underlying fluid system increases as the flow resistance reduces. This observation would be helpful to analyze the coupling effects of different fluid parameters in a convectional model in future work.

Keywords: Galerkin method, Lorenz equations, Navier-Stokes equations, convectional motion

Procedia PDF Downloads 392

Authors: Jae-Yeong Choi, Gyu-Mok Jeon, Jong-Chun Park, Yong-Jin Cho, Seok-Tae Yoon

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When air flow is injected into water, bubbles are formed in various types inside the water pool along with the air flow rate. The bubbles are floated in equilibrium with forces such as buoyancy, surface tension and shear force. Single bubble generated at low flow rate maintains shape, but bubbles with high flow rate break up to make mixing and turbulence. In addition to this phenomenon, as the hot air bubbles are injected into the water, heat affects the interface of phases. Therefore, the main scope of the present work reveals how to proceed heat transfer between water and hot air bubbles injected into water. In the present study, a series of CFD simulation for the heat transfer of hot bubbles injected through a nozzle near the bottom in a cylindrical water column are performed using a commercial CFD software, STAR-CCM+. The governing equations for incompressible and viscous flow are the continuous and the RaNS (Reynolds- averaged Navier-Stokes) equations and discretized by the FVM (Finite Volume Method) manner. For solving multi-phase flow, the Eulerian multiphase model is employed and the interface is defined by VOF (Volume-of-Fluid) technique. As a turbulence model, the SST k-w model considering the buoyancy effects is introduced. For spatial differencing the 3th-order MUSCL scheme is adopted and the 2nd-order implicit scheme for time integration. As the results, the dynamic behavior of the rising hot bubbles with the flow rate injected and regarding heat transfer mechanism are discussed based on the simulation results.

Keywords: heat transfer, hot bubble injection, eulerian multiphase model, flow rate, CFD (Computational Fluid Dynamics)

Procedia PDF Downloads 152

Authors: Imene Skhakhfa, Lahbaci Ouerdachi

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The design of sewerage systems is directly related to rainfall, which has a highly random character. Showers are usually described by three characteristics: intensity, volume and duration. Several studies considered only in two of the three models. The objective of our work is to perform an analysis of the impact of three variables on put in charge of sewerage system, responsible for misbehavior, origin of urban flooding. 30 events were considered events for the longest, most rushed and most intense period which runs from 1986 -2001. We built the IDF curves and heavy projects double symmetrical triangles associated with this selection. A simulation of the operation, with the model canoe, sewage from the city of Annaba (Algeria) in the three rain solicitation project, double triangles associated with events considered. It appears that the sewage of the city of Annaba, in terms of charging, is much more sensitive to rain most precipitous, and the more intense causing loadings and last the longest. Further analysis of all the rain and the field measurements are underway to confirm the test simulations.

Keywords: intensity, volume, duration, sewerage, design, simulation

Procedia PDF Downloads 445

Authors: Wittawat Wasusathien, Samran Santalunai, Thanaset Thosdeekoraphat, Chanchai Thongsopa

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This paper presents breast cancer detection by observing the specific absorption rate (SAR) intensity for identification tumor location, the tumor is identified in coordinates (x,y,z) system. We examined the frequency between 4-8 GHz to look for the most appropriate frequency. Results are simulated in frequency 4-8 GHz, the model overview include normal breast with 50 mm radian, 5 mm diameter of tumor, and ultra wideband (UWB) bowtie antenna. The models are created and simulated in CST Microwave Studio. For this simulation, we changed antenna to 5 location around the breast, the tumor can be detected when an antenna is close to the tumor location, which the coordinate of maximum SAR is approximated the tumor location. For reliable, we experiment by random tumor location to 3 position in the same size of tumor and simulation the result again by varying the antenna position in 5 position again, and it also detectable the tumor position from the antenna that nearby tumor position by maximum value of SAR, which it can be detected the tumor with precision in all frequency between 4-8 GHz.

Keywords: specific absorption rate (SAR), ultra wideband (UWB), coordinates, cancer detection

Procedia PDF Downloads 403

Authors: F. C. Amadi, G. C. Enyi, G. G. Nasr

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Hydraulic fracturing is one of the most important stimulation techniques available to the petroleum engineer to extract hydrocarbons in tight gas sandstones. It allows more oil and gas production in tight reservoirs as compared to conventional means. The main aim of the study is to optimize the hydraulic fracturing as technique and for this purpose three multi-zones layer formation is considered and fractured contemporaneously. The three zones are named as Zone1 (upper zone), Zone2 (middle zone) and Zone3 (lower zone) respectively and they all occur in shale rock. Simulation was performed with Mfrac integrated software which gives a variety of 3D fracture options. This simulation process yielded an average fracture efficiency of 93.8%for the three respective zones and an increase of the average permeability of the rock system. An average fracture length of 909 ft with net height (propped height) of 210 ft (average) was achieved. Optimum fracturing results was also achieved with maximum fracture width of 0.379 inches at an injection rate of 13.01 bpm with 17995 Mscf of gas production.

Keywords: hydraulic fracturing, optimisation, shale, tight reservoir

Procedia PDF Downloads 428

Authors: De-Shin Liu, Po-Chun Wen, Zhen-Wei Zhuang, Hsueh-Chih Liu, Pei-Chen Huang

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Wafer probing tests play an important role in semiconductor manufacturing procedures in accordance with the yield and reliability requirement of the wafer after the backend-of-the-line process. Accordingly, the stable physical and electrical contact between the probe and the tested wafer during wafer probing is regarded as an essential issue in identifying the known good die. The probe card can be integrated with multiple probe needles, which are classified as vertical, cantilever and micro-electro-mechanical systems type probe selections. Among all potential probe types, the vertical probe has several advantages as compared with other probe types, including maintainability, high probe density and feasibility for high-speed wafer testing. In the present study, the mechanical response of the wafer probing test with the vertical cobra probe on 720 μm thick silicon (Si) substrate with a 1.4 μm thick aluminum (Al) pad is investigated by the experiment and transient dynamic simulation approach. Because the deformation mechanism of the vertical cobra probe is determined by both bending and buckling mechanisms, the stable correlation between contact forces and overdrive (OD) length must be carefully verified. Moreover, the decent OD length with corresponding contact force contributed to piercing the native oxide layer of the Al pad and preventing the probing test-induced damage on the interconnect system. Accordingly, the scratch depth of the Al pad under various OD lengths is estimated by the atomic force microscope (AFM) and simulation work. In the wafer probing test configuration, the contact phenomenon between the probe needle and the tested object introduced large deformation and twisting of mesh gridding, causing the subsequent numerical divergence issue. For this reason, the arbitrary Lagrangian-Eulerian method is utilized in the present simulation work to conquer the aforementioned issue. The analytic results revealed a slight difference when the OD is considered as 40 μm, and the simulated is almost identical to the measured scratch depths of the Al pad under higher OD lengths up to 70 μm. This phenomenon can be attributed to the unstable contact of the probe at low OD length with the scratch depth below 30% of Al pad thickness, and the contact status will be being stable when the scratch depth over 30% of pad thickness. The splash of the Al pad is observed by the AFM, and the splashed Al debris accumulates on a specific side; this phenomenon is successfully simulated in the transient dynamic simulation. Thus, the preferred testing OD lengths are found as 45 μm to 70 μm, and the corresponding scratch depths on the Al pad are represented as 31.4% and 47.1% of Al pad thickness, respectively. The investigation approach demonstrated in this study contributed to analyzing the mechanical response of wafer probing test configuration under large strain conditions and assessed the geometric designs and material selections of probe needles to meet the requirement of high resolution and high-speed wafer-level probing test for thinned wafer application.

Keywords: wafer probing test, vertical probe, probe mark, mechanical response, FEA simulation

Procedia PDF Downloads 56

Authors: Shuang Chen, Zongqian Shi, Jiajia Sun, Mingjia Li

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Microfluidics is a technology that small amounts of fluids are manipulated using channels with dimensions of tens to hundreds of micrometers. At present, this significant technology is required for several applications in some fields, including disease diagnostics, genetic engineering, and environmental monitoring, etc. Among these fields, manipulation of microparticles and cells in microfluidic device, especially separation, have aroused general concern. In magnetic field, the separation methods include positive and negative magnetophoresis. By comparison, negative magnetophoresis is a label-free technology. It has many advantages, e.g., easy operation, low cost, and simple design. Before the separation of particles or cells, focusing them into a single tight stream is usually a necessary upstream operation. In this work, the focusing of diamagnetic particles in ferrofluid microflows with a single set of overhead permanent magnets is investigated numerically. The geometric model of the simulation is based on the configuration of previous experiments. The straight microchannel is 24mm long and has a rectangular cross-section of 100μm in width and 50μm in depth. The spherical diamagnetic particles of 10μm in diameter are suspended into ferrofluid. The initial concentration of the ferrofluid c₀ is 0.096%, and the flow rate of the ferrofluid is 1.8mL/h. The magnetic field is induced by five identical rectangular neodymium−iron− boron permanent magnets (1/8 × 1/8 × 1/8 in.), and it is calculated by equivalent charge source (ECS) method. The flow of the ferrofluid is governed by the Navier–Stokes equations. The trajectories of particles are solved by the discrete phase model (DPM) in the ANSYS FLUENT program. The positions of diamagnetic particles are recorded by transient simulation. Compared with the results of the mentioned experiments, our simulation shows consistent results that diamagnetic particles are gradually focused in ferrofluid under magnetic field. Besides, the diamagnetic particle focusing is studied by varying the flow rate of the ferrofluid. It is in agreement with the experiment that the diamagnetic particle focusing is better with the increase of the flow rate. Furthermore, it is investigated that the diamagnetic particle focusing is affected by other factors, e.g., the width and depth of the microchannel, the concentration of the ferrofluid and the diameter of diamagnetic particles.

Keywords: diamagnetic particle, focusing, microfluidics, permanent magnet

Procedia PDF Downloads 130

Authors: Zhixiang Li, Shuguang Yao, Wen Ma

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Coupler rubber buffer has been widely applied on the high-speed trains and the main function of the rubber buffer is dissipating the impact energy between vehicles. The rubber buffer consists of two groups of rubbers, which are both pre-compressed and then installed into the frame body. This work focuses on the energy absorption capacity of each group of buffers particularly. The quasi-static compression tests were carried out to obtain the pre-compression force and the load-defection response of the buffers. Then a finite element (FE) model was constructed using Ls_dyna program. The rubber material was modeled with a tabulated method easily, in which no more material constants need to be fitted. The simulation results agreed with the experimental results well. Numerical study of the buffers was performed using the validated FE model and the influence of the initial pressure on the buffers was obtained. In addition, the interaction between the two groups of buffers was also investigated and the optimum distribution of the two was found.

Keywords: initial pressure, rubber buffer, simulation, tabulated method

Procedia PDF Downloads 145

Authors: Balasundaram Prasaant, Ploix Stephane, Delinchant Benoit, Muresan Cristian

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Hardware in Loop (HIL) testing is done to test and validate a particular product especially in building technology. When it comes to building technology, it is more important to test the products for their efficiency. The test rig in the HIL simulator may contribute to some uncertainties on measured efficiency. The uncertainties include physical uncertainties and scenario-based uncertainties. In this paper, a simple uncertainty analysis framework for an HIL setup is shown considering only the physical uncertainties. The entire modeling of the HIL setup is done in Dymola. The uncertain sources are considered based on available knowledge of the components and also on expert knowledge. For the propagation of uncertainty, Monte Carlo Simulation is used since it is the most reliable and easy to use. In this article it is shown how an HIL setup can be modeled and how uncertainty propagation can be performed on it. Such an approach is not common in building energy analysis.

Keywords: energy in buildings, hardware in loop testing, modelica modelling, Monte Carlo simulation, uncertainty propagation

Procedia PDF Downloads 137

Authors: Longxiang Guo, Haoyan Hao, Xueli Sheng, Hanjun Yu, Jingwei Yin

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In order to prevent target splitting and ensure the accuracy of fusion, system error registration is an important step in multi-static sonar fusion detection system. To eliminate the inherent system errors including distance error and angle error of each sonar in detection, this paper uses offline estimation method for error registration. Suppose several sonars from different platforms work together to detect a target. The target position detected by each sonar is based on each sonar’s own reference coordinate system. Based on the two-dimensional stereo projection method, this paper uses real-time quality control (RTQC) method and least squares (LS) method to estimate sensor biases. The RTQC method takes the average value of each sonar’s data as the observation value and the LS method makes the least square processing of each sonar’s data to get the observation value. In the underwater acoustic environment, matlab simulation is carried out and the simulation results show that both algorithms can estimate the distance and angle error of sonar system. The performance of the two algorithms is also compared through the root mean square error and the influence of measurement noise on registration accuracy is explored by simulation. The system error convergence of RTQC method is rapid, but the distribution of targets has a serious impact on its performance. LS method can not be affected by target distribution, but the increase of random noise will slow down the convergence rate. LS method is an improvement of RTQC method, which is widely used in two-dimensional registration. The improved method can be used for underwater multi-target detection registration.

Keywords: data fusion, multi-static sonar detection, offline estimation, sensor registration problem

Procedia PDF Downloads 169

Authors: Carolina Aparicio-Fernández, Alejandro Vilar Abad, Mar Cañada Soriano, Jose-Luis Vivancos

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The building sector is responsible for 40% of the total energy consumption in the European Union (EU). Thus, implementation of strategies for quantifying and reducing buildings energy consumption is indispensable for reaching the EU’s carbon neutrality and energy efficiency goals. Each Member State has transposed the European Directives according to its own peculiarities: existing technical legislation, constructive solutions, climatic zones, etc. Therefore, in accordance with the Energy Performance of Buildings Directive, Member States have developed different Energy Performance Certificate schemes, using proposed energy simulation software-tool for each national or regional area. Energy Performance Certificates provide a powerful and comprehensive information to predict, analyze and improve the energy demand of new and existing buildings. Energy simulation software and databases allow a better understanding of the current constructive reality of the European building stock. However, Energy Performance Certificates still have to face several issues to consider them as a reliable and global source of information since different calculation tools are used that do not allow the connection between them. In this document, TRNSYS (TRaNsient System Simulation program) software is used to calculate the energy demand of a building, and it is compared with the energy labeling obtained with Spanish Official software-tools. We demonstrate the possibility of using not official software-tools to calculate the Energy Performance Certificate. Thus, this approach could be used throughout the EU and compare the results in all possible cases proposed by the EU Member States. To implement the simulations, an isolated single-family house with different construction solutions is considered. The results are obtained for every climatic zone of the Spanish Technical Building Code.

Keywords: energy demand, energy performance certificate EPBD, trnsys, buildings

Procedia PDF Downloads 126

Authors: Ting Ye, Nhan Phan-Thien, Chwee Teck Lim, Lina Peng, Huixin Shi

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In biofluid flow systems, often the flow problems of fluids of complex structures, such as the flow of red blood cells (RBCs) through complex capillary vessels, need to be considered. In this paper, we aim to apply a particle-based method, Smoothed Dissipative Particle Dynamics (SDPD), to simulate the motion and deformation of RBCs in complex micro-tubes. We first present the theoretical models, including SDPD model, RBC-fluid interaction model, RBC deformation model, RBC aggregation model, and boundary treatment model. After that, we show the verification and validation of these models, by comparing our numerical results with the theoretical, experimental and previously-published numerical results. Finally, we provide some simulation cases, such as the motion and deformation of RBCs in rectangular, cylinder, curved, bifurcated, and constricted micro-tubes, respectively.

Keywords: aggregation, deformation, red blood cell, smoothed dissipative particle dynamics

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Authors: W. P. Hu, J. V. Kumar, Jeffrey J. P. Tsai

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The inhibition of SH2 domain regulated protein-protein interactions is an attractive target for developing an effective chemotherapeutic approach in the treatment of disease. Molecular simulation is a useful tool for developing new drugs and for studying molecular recognition. In this study, we searched potential drug compounds for the inhibition of SH2 domain by performing structural similarity search in PubChem Compound Database. A total of 37 compounds were screened from the database, and then we used the LibDock docking program to evaluate the inhibition effect. The best three compounds (AP22408, CID 71463546 and CID 9917321) were chosen for MD simulations after the LibDock docking. Our results show that the compound CID 9917321 can produce a more stable protein-ligand complex compared to other two currently known inhibitors of Src SH2 domain. The compound CID 9917321 may be useful for the inhibition of SH2 domain based on these computational results. Subsequently experiments are needed to verify the effect of compound CID 9917321 on the SH2 domain in the future studies.

Keywords: nonpeptide inhibitor, Src SH2 domain, LibDock, molecular dynamics simulation

Procedia PDF Downloads 269

Authors: Oh Hyeon Jeon, WooYoung Jung

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In this study, seepage analysis was performed by the level difference between upstream and downstream of weir structure for safety evaluation of weir structure against flooding. Monte Carlo Simulation method was employed by considering the probability distribution of the adjacent ground parameter, i.e., permeability coefficient of weir structure. Moreover, by using a commercially available finite element program (ABAQUS), modeling of the weir structure is carried out. Based on this model, the characteristic of water seepage during flooding was determined at each water level with consideration of the uncertainty of their corresponding permeability coefficient. Subsequently, fragility function could be constructed based on this response from numerical analysis; this fragility function results could be used to determine the weakness of weir structure subjected to flooding disaster. They can also be used as a reference data that can comprehensively predict the probability of failur,e and the degree of damage of a weir structure.

Keywords: weir structure, seepage, flood disaster fragility, probabilistic risk assessment, Monte-Carlo simulation, permeability coefficient

Procedia PDF Downloads 352

Authors: Aneesh Joshi, Sagil James

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Cold Spray (CS) process is deposition of solid particles over a substrate above a certain critical impact velocity. Unlike thermal spray processes, CS process does not melt the particles thus retaining their original physical and chemical properties. These characteristics make CS process ideal for various engineering applications involving metals, polymers, ceramics and composites. The bonding mechanism involved in CS process is extremely complex considering the dynamic nature of the process. Though CS process offers great promise for several engineering applications, the realization of its full potential is limited by the lack of understanding of the complex mechanisms involved in this process and the effect of critical process parameters on the deposition efficiency. The goal of this research is to understand the complex nanoscale mechanisms involved in CS process. The study uses Molecular Dynamics (MD) simulation technique to understand the material deposition phenomenon during the CS process. Impact of a single crystalline copper nanoparticle on copper substrate is modelled under varying process conditions. The quantitative results of the impacts at different velocities, impact angle and size of the particles are evaluated using flattening ratio, von Mises stress distribution and local shear strain. The study finds that the flattening ratio and hence the quality of deposition was highest for an impact velocity of 700 m/s, particle size of 20 Å and an impact angle of 90°. The stress and strain analysis revealed regions of shear instabilities in the periphery of impact and also revealed plastic deformation of the particles after the impact. The results of this study can be used to augment our existing knowledge in the field of CS processes.

Keywords: cold spray process, molecular dynamics simulation, nanoparticles, particle impact

Procedia PDF Downloads 367

Authors: Debasis Sarkar

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This paper aims to apply the Grasshopper-Optimization-Algorithm (GOA) for designing and developing a Net-Zero-Energy residential building for a mega-city like Ahmedabad in India. The methodology implemented includes advanced tools like Revit for model creation and MATLAB for simulation, enabling the optimization of the building design. GOA has been applied in reducing cooling loads and overall energy consumption through optimized passive design features. For the attainment of a net zero energy mission, solar panels were installed on the roof of the building. It has been observed that the energy consumption of 8490 kWh was supported by the installed solar panels. Thereby only 840kWh had to be supported by non-renewable energy sources. The energy consumption was further reduced through the application of simulation and optimization methods like GOA, which further reduced the energy consumption to about 37.56 kWh per month from April to July when energy demand was at its peak. This endeavor aimed to achieve near-zero-energy consumption, showcasing the potential of renewable energy integration in building sustainability.

Keywords: grasshopper optimization algorithm, net zero energy, residential building, sustainable design

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Authors: Adam Abate, Elham Rasti, Philip Romero

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Beta-glucosidase is the key enzyme component present in cellulase and completes the final step during cellulose hydrolysis by converting the cellobiose to glucose. The regulatory properties of beta-glucosidases are most commonly found for the retaining and inverting enzymes. Hydrolysis of a glycoside typically occurs with general acid and general base assistance from two amino acid side chains, normally glutamic or aspartic acids. In order to obtain more detailed information on the dynamic events origination from the interaction with enzyme active site, we carried out molecular dynamics simulations of beta-glycosidase in protonated state (Glu-H178) and deprotonated state (Glu178). The theoretical models generated from our molecular dynamics simulations complement and advance the structural information currently available, leading to a more detailed understanding of Beta-glycosidase structure and function. This article presents the important role of Asn307 in enzyme activity of beta-glucosidase

Keywords: Beta-glucosidase, GROMACS, molecular dynamics simulation, structural parameters

Procedia PDF Downloads 398

Authors: Fezzani Boubaker

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The modified activated sludge model (ASM1 or Mantis) is a generic structured model and a common platform for dynamic simulation of varieties of aerobic processes for optimization and upgrading of existing plants and for new facilities design. In this study, the modified ASM1 included in the GPS-X software was used to simulate the wastewater treatment plant (WWTP) of Beja treating domestic sewage mixed with baker‘s yeast factory effluent. The results of daily measurements and operating records were used to calibrate the model. A sensitivity and an automatic optimization analysis were conducted to determine the most sensitive and optimal parameters. The results indicated that the ASM1 model could simulate with good accuracy: the COD concentration of effluents from the WWTP of Beja for all months of the year 2012. In addition, it prevents the disruption observed at the output of the plant by injecting the baker‘s yeast factory effluent at high concentrations varied between 20 and 80 g/l.

Keywords: ASM1, activated sludge, baker’s yeast effluent, modelling, simulation, GPS-X 5.1 software

Procedia PDF Downloads 343

Authors: Maryam Shayan

Abstract:

Chemical Process Simulation (CPS) software has been generally utilized by chemical (process) designers to outline, test, advance, and coordinate process plants. It is relied upon that modern scientists to bring these same critical thinking advantages to the outline and operation of industrial ecosystems can utilize CPS. This paper gives modern environment researchers and experts with a prologue to CPS and a review of compound designing configuration standards. The paper highlights late research demonstrating that CPS can be utilized to model modern industrial ecosystems, and talks about the advantages of utilizing CPS to address a portion of the specialized difficulties confronting organizations partaking in an industrial ecosystem. CPS can be utilized to (i) quantitatively assess and analyze the potential ecological and monetary advantages of material and vitality linkages; (ii) unravel general plan, retrofit, or operational issues; (iii) help to distinguish complex and frequently irrational arrangements; and (iv) assess imagine a scenario in which situations. CPS ought to be a valuable expansion to the mechanical environment tool stash.

Keywords: chemical process simulation (CPS), process plants, industrial ecosystems, compound designing

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Authors: Muhammed Ashiq Villanthenkodath, Shreya Pal

Abstract:

Purpose: This study scrutinizes the impact of economic globalization on ecological footprint while endogenizing economic growth and energy consumption from 1990 to 2018 in India. Design/methodology/approach: The standard unit root test has been employed for time series analysis to unveil the integration order. Then, the cointegration was confirmed using autoregressive distributed lag (ARDL) analysis. Further, the study executed the dynamic ARDL simulation model to estimate long-run and short-run results along with simulation and robotic prediction. Findings: The cointegration analysis confirms the existence of a long-run association among variables. Further, economic globalization reduces the ecological footprint in the long run. Similarly, energy consumption decreases the ecological footprint. In contrast, economic growth spurs the ecological footprint in India. Originality/value: This study contributes to the literature in many ways. First, unlike studies that employ CO2 emissions and globalization nexus, this study employs ecological footprint for measuring environmental quality; since it is the broader measure of environmental quality, it can offer a wide range of climate change mitigation policies for India. Second, the study executes a multivariate framework with updated series from 1990 to 2018 in India to explore the link between EF, economic globalization, energy consumption, and economic growth. Third, the dynamic autoregressive distributed lag (ARDL) model has been used to explore the short and long-run association between the series. Finally, to our limited knowledge, this is the first study that uses economic globalization in the EF function of India amid facing a trade-off between sustainable economic growth and the environment in the era of globalization.

Keywords: economic globalization, ecological footprint, India, dynamic ARDL simulation model

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Authors: Ajoy Kumar Das, Prasenjit Dey

Abstract:

Heat transfer due to forced convection of copper water based nanofluid has been predicted by Artificial Neural network (ANN). The present nanofluid is formed by mixing copper nano particles in water and the volume fractions are considered here are 0% to 15% and the Reynolds number are kept constant at 100. The back propagation algorithm is used to train the network. The present ANN is trained by the input and output data which has been obtained from the numerical simulation, performed in finite volume based Computational Fluid Dynamics (CFD) commercial software Ansys Fluent. The numerical simulation based results are compared with the back propagation based ANN results. It is found that the forced convection heat transfer of water based nanofluid can be predicted correctly by ANN. It is also observed that the back propagation ANN can predict the heat transfer characteristics of nanofluid very quickly compared to standard CFD method.

Keywords: forced convection, square cylinder, nanofluid, neural network

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Authors: E. Karimi-Sibaki, A. Kharicha, M. Wu, A. Ludwig

Abstract:

The standard electroslag remelting (ESR) process can ideally control the solidification of an ingot and produce homogeneous structure with minimum defects. However, the melt rate of electrode is rather low that makes the whole process uneconomical especially to produce small ingot sizes. In contrast, continuous casting is an economical process to produce small ingots such as billets at high casting speed. Unfortunately, deep liquid melt pool forms in the billet ingot of continuous casting that leads to center porosity and segregation. As such, continuous casting is not suitable to produce segregation prone alloys like tool steel or several super alloys. On the other hand, the electro slag rapid remelting (ESRR) process has advantages of both traditional ESR and continuous casting processes to produce billets. In the ESRR process, a T-shaped mold is used including a graphite ring that takes major amount of current through the mold. There are only a few reports available in the literature discussing about this topic. The research on the ESRR process is currently ongoing aiming to improve the design of the T-shaped mold, to decrease overall heat loss in the process, and to obtain a higher temperature at metal meniscus. In the present study, a 3D model is proposed to investigate the electromagnetic, thermal, and flow fields in the whole process as well as solidification of the billet ingot. We performed a fully coupled numerical simulation to explore the influence of the electromagnetically driven flow (MHD) on the thermal field in the slag and ingot. The main goal is to obtain some fundamental understanding of the formation of melt pool of the solidifying billet ingot in the ESRR process.

Keywords: billet ingot, magnetohydrodynamics (mhd), numerical simulation, remelting, solidification, t-shaped mold.

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Authors: K. M. Yoo, M. H. Kang

Abstract:

Conventional commercial wind turbine design software is limited to large wind turbines due to not incorporating with low Reynold’s Number aerodynamic characteristics typically for small wind turbines. To extract maximum annual energy product from an intermediately designed small wind turbine associated with measured wind data, numerous simulation is highly recommended to have a best fitting planform design with proper airfoil configuration. Since depending upon wind distribution with average wind speed, an optimal wind turbine planform design changes accordingly. It is theoretically not difficult, though, it is very inconveniently time-consuming design procedure to finalize conceptual layout of a desired small wind turbine. Thus, to help simulations easier and faster, a GUI software is developed to conveniently iterate and change airfoil types, wind data, and geometric blade data as well. With magnetic generator torque curve, peak power tracking simulation is also available to better match with the magnetic generator. Small wind turbine often lacks starting torque due to blade optimization. Thus this simulation is also embedded along with yaw design. This software provides various blade cross section details at user’s design convenience such as skin thickness control with fiber direction option, spar shape, and their material properties. Since small wind turbine is under international safety regulations with fatigue damage during normal operations and safety load analyses with ultimate excessive loads, load analyses are provided with each category mandated in the safety regulations.

Keywords: GUI software, Low Reynold’s number aerodynamics, peak power tracking, safety regulations, wind turbine performance optimization

Procedia PDF Downloads 304