Search results for: mechanical simulation

Authors: Tracy Smith-Carrier

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Burgeoning research extols the benefits of innovative experiential learning activities to increase participants’ engagement, enhance their individual learning, and bridge the gap between theory and practice. This presentation discusses findings from a multiple case study on poverty simulation events conducted with two samples: undergraduate students and community participants. After exploring the nascent research on the benefits and limitations of poverty simulation activities, the study explores whether participating in a poverty simulation resulted in changes to participants’ beliefs about the causes and effects of poverty, as well as shifts in their attitudes and actions toward people experiencing poverty. For the purposes of triangulation, quantitative and qualitative data from a variety of sources were analyzed: participant feedback surveys, qualitative responses, and pre, post, and follow-up questionnaires. Findings show statistically significant results (p<.05) from both samples on cumulative scores of the modified Attitudes Toward Poverty Scale, indicating an improvement in participants’ attitudes toward poverty. Although generally positive about their experiences, participating in the simulation did not appear to have prompted participants to take specific actions to reduce poverty. Conclusions drawn from the research study suggest that poverty simulation planners should be wary of adopting scenarios that emphasize, or fail to adequately contextualize, behaviours or responses that might perpetuate individual explanations of poverty. Moreover, organizers must carefully consider how to ensure participants in their audience currently experiencing low-income do not become emotionally distressed, triggered or further marginalized in the process. While overall participants were positive about their experiences in the simulation, the events did not appear to have prompted them to action. Moving beyond the goal of increasing participants’ understandings of poverty, interventions that foster greater engagement in poverty issues over the long-term are necessary.

Keywords: empathy, experiential learning, poverty awareness, poverty simulation

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Authors: S. M. A. Al Qawabah, A. I. O. Zaid

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Al-4%Cu alloys are now widely used in many engineering applications especially in robotic, aerospace and vibration control area. The main problem arises from the weakness of their mechanical characteristics. Therefore, this study is directed towards enhancing the mechanical properties through severe plastic deformation. In this work, the hot direct extrusion process was chosen to provide the required hot work for this purpose. A direct extrusion die was designed and manufactured to be used in this investigation. The general microstructure, microhardness, surface roughness, and compression tests were performed on specimens from the produced Al-4%Cu alloy both in the as cast and after extrusion conditions. It was found that a pronounced enhancement in the mechanical characteristics of the produced Al-4%Cu after extrusion was achieved. The microhardness increased by 89.3%, the flow stress was decreased by 10% at 0.2 strain and finally the surface roughness was reduced by 81.6%.

Keywords: aluminum, copper, surface roughness, hot extrusion

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Authors: T. Godwin

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The design of a supply chain always entails the trade-off between responsiveness and efficiency. The launch of e-commerce has not only changed the way of shopping but also altered the supply chain design while trading off efficiency with responsiveness. A concept called ‘virtual responsiveness’ is introduced in the context of e-commerce supply chain. A simulation model is developed to compare actual responsiveness and virtual responsiveness to the customer in an e-commerce supply chain. The simulation is restricted to the movement of goods from the e-tailer to the customer. Customer demand follows a statistical distribution and is generated using inverse transformation technique. The two responsiveness schemes of the supply chain are compared in terms of the minimum number of inventory required at the e-tailer to fulfill the orders. Computational results show the savings achieved through virtual responsiveness. The insights gained from this study could be used to redesign e-commerce supply chain by incorporating virtual responsiveness. A part of the achieved cost savings could be passed back to the customer, thereby making the supply chain both effective and competitive.

Keywords: e-commerce, simulation modeling, supply chain, virtual responsiveness

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Authors: Yuksel Akinay, Fatih Hayat

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The influence of the alloying element on mechanical properties and micro structures of the Fe-22Mn-0.6C-0,6Si twinning induced plasticity (TWIP) steel were investigated at different temperatures. This composition was fabricated by a vacuum induction melting method. This steel was homogenized at 1200◦C for 8h. After heat treatment it was hot-rolled at 1100◦C to 6 mm thickness. The hot rolled plates were cold rolled to 3 mm and annealed at 700 800 and 900 °C for 60 and 150 minute and then air-cooled. X-ray diffractometry (XRD), optic microscope and field emission scanning electron microscope (FESEM), hardness and tensile tests were used to analyse the relationship between mechanical properties and micro structure after annealing process. The results show that, the excellent mechanical properties were obtained after heat treatment process. The tensile strength of material was decreased and the ductility of material was improved with increasing annealing temperature. Ni element were increased the mechanical resistance of specimens and because of carbide precipitation the hardness of specimen annealed at 700 C is higher than others.

Keywords: high manganese, heat treatment, SEM, XRD, cold-rolling

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Authors: Kaining Zhang, Lang Chen, Danyang Liu, Jianying Lu, Kun Yang, Junying Wu

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In order to solve the problem of a large amount of simulation and limited simulation scale in the first-principle molecular dynamics simulation of energetic material detonation reaction, we established an artificial intelligence model for analyzing and predicting the detonation reaction mechanism of CL-20 based on the first-principle molecular dynamics simulation of the multiscale shock technique (MSST). We employed principal component analysis to identify the dominant charge features governing molecular reactions. We adopted the K-means clustering algorithm to cluster the reaction paths and screen out the key reactions. We introduced the neural network algorithm to construct the mapping relationship between the charge characteristics of the molecular structure and the key reaction characteristics so as to establish a calculation method for predicting detonation reactions based on the charge characteristics of CL-20 and realize the rapid analysis of the reaction mechanism of energetic materials.

Keywords: energetic material detonation reaction, first-principle molecular dynamics simulation of multiscale shock technique, neural network, CL-20

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Authors: Sirine Sayed, Mostapha Tarfaoui, Abdelmalek Toumi, Youssef Qarssis, Mohamed Daly, Chokri Bouraoui

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This paper delves into the combination of additive manufacturing (AM) and artificial intelligence (AI) to solve challenges related to the mechanical behavior of AM-produced parts. The article highlights the fundamentals and benefits of additive manufacturing, including creating complex geometries, optimizing material use, and streamlining manufacturing processes. The paper also addresses the challenges associated with additive manufacturing, such as ensuring stable mechanical performance and material properties. The role of AI in improving the static behavior of AM-produced parts, including machine learning, especially the neural network, is to make regression models to analyze the large amounts of data generated during experimental tests. It investigates the potential synergies between AM and AI to achieve enhanced functions and personalized mechanical properties. The mechanical behavior of parts produced using additive manufacturing methods can be further improved using design optimization, structural analysis, and AI-based adaptive manufacturing. The article concludes by emphasizing the importance of integrating AM and AI to enhance mechanical operations, increase reliability, and perform advanced functions, paving the way for innovative applications in different fields.

Keywords: additive manufacturing, mechanical behavior, artificial intelligence, machine learning, neural networks, reliability, advanced functionalities

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Authors: Zouhair Issa Ahmed, Ahmed Abdulrasool Ahmed, Falah Hassan Abdulsada

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This paper presents a layout of a factory using Pro-Model simulation by choosing the best layout that gives the highest productivity and least work in process. The general problem is to find the best sequence in which jobs pass between the machines which are compatible with the technological constraints and optimal with respect to some performance criteria. The best simulation with Pro-Model program increased productivity and reduced work in process by balancing lines of production compared with the current layout of factory when productivity increased from 45 products to 180 products through 720 hours.

Keywords: scheduling, Pro-Model, simulation, balancing lines of production, layout planning, WIP

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Authors: H.-G. Herrmann, M. Schwarz, J. Summa, F. Grossmann

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In this work, different non-destructive testing methods for the characterization of defects and interfaces are presented. It is shown that, by means of active thermography, defects in the interface and in the carbon fiber reinforced polymer (CFRP) itself can be detected and determined. The bonding of metal and thermoplastic can be characterized very well by ultrasonic testing with electromagnetic acoustic transducers (EMAT). Mechanical testing is combined with passive thermography to correlate mechanical values with the defect-size. There is also a comparison between active and passive thermography. Mechanical testing shows the influence of different defects. Furthermore, a correlation of defect-size and loading to rupture was performed.

 

Keywords: defect evaluation, EMAT, mechanical testing, thermography

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Authors: A. M. Gheitaghy, H. Saffari, G. Q. Zhang

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Numerical approach based on the electrical simulation method is proposed to solve a nonlinear transient heat conduction problem with nonlinear boundary for a spherical body. This problem represents a strong nonlinearity in both the governing equation for temperature dependent thermal property and the boundary condition for combined convective and radiative cooling. By analysing the equivalent electrical model using the electrical circuit simulation program HSPICE, transient temperature and heat flux distributions at sphere can be obtained easily and fast. The solutions clearly illustrate the effect of the radiation-conduction parameter Nrc, the Biot number and the linear coefficient of temperature dependent conductivity and heat capacity. On comparing the results with corresponding numerical solutions, the accuracy and efficiency of this computational method are found to be good.

Keywords: convective and radiative boundary, electrical simulation method, nonlinear heat conduction, spherical coordinate

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Authors: Nacim Khelil, Amar Kahil, Said Boukais

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The aim of the present study is to investigate the changes in the mechanical properties of mortars including additions of Condensed Silica Fume (CSF), Hydrated Lime (CH) or both at various amounts (5% to 15% of cement replacement) and high water ratios (w/b) (0.4 to 0.7). The physical and mechanical changes in the mixes were evaluated using non-destructive tests (Ultrasonic Pulse Velocity (UPV)) and destructive tests (crushing tests) on 28 day-long specimens consecutively, in order to assess CSF and CH replacement rate influence on the mechanical and physical properties of the mortars, as well as CSF-CH pre-mixing on the improvement of these properties. A significant improvement of the mechanical properties of the CSF, CSF-CH mortars, has been noted. CSF-CH mixes showed the best improvements exceeding 50% improvement, showing the sizable pozzolanic reaction contribution to the specimen strength development. UPV tests have shown increased velocities for CSF and CSH mixes, however no proportional evolution with compressive strengths could be noted. The results of the study show that CSF-CH addition could represent a suitable solution to significantly increase the mechanical properties of mortars.

Keywords: compressive strength, condensed silica fume, hydrated lime, pozzolanic reaction, UPV testing

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Authors: L. Benaaouinate, M. Khafallah, A. Martinez, A. Mesbahi, T. Bouragba

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This paper concerns with the modeling, simulation, and emulation of a wind turbine emulator for standalone wind energy conversion systems. By using emulation system, we aim to reproduce the dynamic behavior of the wind turbine torque on the generator shaft: it provides the testing facilities to optimize generator control strategies in a controlled environment, without reliance on natural resources. The aerodynamic, mechanical, electrical models have been detailed as well as the control of pitch angle using Fuzzy Logic for horizontal axis wind turbines. The wind turbine emulator consists mainly of an induction motor with AC power drive with torque control. The control of the induction motor and the mathematical models of the wind turbine are designed with MATLAB/Simulink environment. The simulation results confirm the effectiveness of the induction motor control system and the functionality of the wind turbine emulator for providing all necessary parameters of the wind turbine system such as wind speed, output torque, power coefficient and tip speed ratio. The findings are of direct practical relevance.

Keywords: electrical generator, induction motor drive, modeling, pitch angle control, real time control, renewable energy, wind turbine, wind turbine emulator

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Authors: Bekir O. Bartin, Kaan Ozbay, Sandeep Mudigonda, Hong Yang

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The use of microscopic traffic simulation in evaluating the operational and safety conditions at toll plazas is demonstrated. Two toll plazas in New Jersey are selected as case studies and were developed and validated in Paramics traffic simulation software. In order to simulate drivers’ lane selection behavior in Paramics, a utility-based lane selection approach is implemented in Paramics Application Programming Interface (API). For each vehicle approaching the toll plaza, a utility value is assigned to each toll lane by taking into account the factors that are likely to impact drivers’ lane selection behavior, such as approach lane, exit lane and queue lengths. The results demonstrate that similar operational conditions, such as lane-by-lane toll plaza traffic volume can be attained using this approach. In addition, assessment of safety at toll plazas is conducted via a surrogate safety measure. In particular, the crash index (CI), an improved surrogate measure of time-to-collision (TTC), which reflects the severity of a crash is used in the simulation analyses. The results indicate that the spatial and temporal frequency of observed crashes can be simulated using the proposed methodology. Further analyses can be conducted to evaluate and compare various different operational decisions and safety measures using microscopic simulation models.

Keywords: microscopic simulation, toll plaza, surrogate safety, application programming interface

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Authors: Anshul Ashu

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Computers are applied to the vehicle aerodynamics in two ways. One of two is Computational Fluid Dynamics (CFD) and other is Computer Aided Flow Visualization (CAFV). Out of two CFD is chosen because it shows the result with computer graphics. The simulation of flow field around the vehicle is one of the important CFD applications. The flow field can be solved numerically using panel methods, k-ε method, and direct simulation methods. The spoiler is the tool in vehicle aerodynamics used to minimize unfavorable aerodynamic effects around the vehicle and the parallel spoiler is set of two spoilers which are designed in such a manner that it could effectively reduce the drag. In this study, the standard k-ε model of the simplified version of Bugatti Veyron, Audi R8 and Porsche 911 are used to simulate the external flow field. Flow simulation is done for variable Reynolds number. The flow simulation consists of three different levels, first over the model without a rear spoiler, second for over model with single rear spoiler, and third over the model with parallel rear-spoiler. The second and third level has following parameter: the shape of the spoiler, the angle of attack and attachment position. A thorough analysis of simulations results has been found. And a new parallel spoiler is designed. It shows a little improvement in vehicle aerodynamics with a decrease in vehicle aerodynamic drag and lift. Hence, it leads to good fuel economy and traction force of the model.

Keywords: drag, lift, flow simulation, spoiler

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Authors: J. P. Gorninski, J. M. L. Reis

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This present work was aimed to develop polymeric mortars having as binder two polyester resins namely isophtalic and orthophtalic polyester. The inorganic phase was composed by medium-size river sand and fly ash fíller, a by-product of the burning of coal in power plants. The compositions in this study are high performance mortars and were assessed by mechanical properties, through compressive strength and flexural strength, by durability strength when exposed to the cyclical variation of temperature from -400C to +300C and by the chemical aggression test. The composites displayed good performance when exposed to cyclical temperature variations and chemical solutions. The mechanical strength values reached the 100 MPa, the flexural strength yielded values of about twenty percent of mechanical strength.

Keywords: polymer mortar, mechanical strength, cyclical temperatures, chemical strength, sustainability

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Authors: Vara Prasad Vemu

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The aim of the present work is to investigate the mechanical properties and water absorption capacity of carbon and basalt fibers mixed with matrix epoxy. At present, there is demand for nature friendly products. Basalt reinforced composites developed recently, and these mineral amorphous fibres are a valid alternative to carbon fibres for their lower cost and to glass fibres for their strength. The present paper describes briefly on basalt and carbon fibres (uni-directional) which are used as reinforcement materials for composites. The matrix epoxy (LY 556-HY 951) is taken into account to assess its influence on the evaluated parameters. In order to use reinforced composites for structural applications, it is necessary to perform a mechanical characterization. With this aim experiments like tensile strength, flexural strength, hardness and water absorption are performed. Later the mechanical properties obtained from experiments are compared with ANSYS software results.

Keywords: carbon fibre, basalt fibre, uni-directional, reinforcement, mechanical tests, water absorption test, ANSYS

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Authors: Amr Abdel Azim Ali, G. A. Elsheikh, Moutaz Hegazy

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This paper presents verification of a modeling and simulation for a Spacecraft (SC) attitude and orbit control system. Detailed formulation of coupled SC orbital and attitude equations of motion is performed in order to achieve accepted accuracy to meet the requirements of multitargets tracking and orbit correction complex modes. Correction of the target parameter based on the estimated state vector during shooting time to enhance pointing accuracy is considered. Time-optimal nonlinear feedback control technique was used in order to take full advantage of the maximum torques that the controller can deliver. This simulation provides options for visualizing SC trajectory and attitude in a 3D environment by including an interface with V-Realm Builder and VR Sink in Simulink/MATLAB. Verification data confirms the simulation results, ensuring that the model and the proposed control law can be used successfully for large and fast tracking and is robust enough to keep the pointing accuracy within the desired limits with considerable uncertainty in inertia and control torque.

Keywords: attitude and orbit control, time-optimal nonlinear feedback control, modeling and simulation, pointing accuracy, maximum torques

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Authors: Belkacem Chebil Sonia, Bensalem Wacef

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The majority of ball end milling models includes only the influence of cutting parameters (cutting speed, feed rate, depth of cut). Furthermore, this influence is studied in most of works on cutting force. Therefore, this study proposes an accurate ball end milling process modeling which includes also the influence of tool workpiece inclination. In addition, a characterization of residual stresses resulting of thermo mechanical loading in the workpiece was also presented. Moreover, the study of the influence of tool workpiece inclination and cutting parameters was made on residual stresses distribution. In order to achieve the predetermination of cutting forces and residual stresses during a milling operation, a thermo mechanical three-dimensional numerical model of ball end milling was developed. Furthermore, an experimental companion of ball end milling tests was realized on a 5-axis machining center to determine the cutting forces and characterize the residual stresses. The simulation results are compared with the experiment to validate the Finite Element Model and subsequently identify the optimum inclination angle and cutting parameters.

Keywords: ball end milling, cutting forces, cutting parameters, residual stress, tool-workpiece inclination

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Authors: Yonathan Audhitya Suthihono, Ratih Dyah Kusumastuti

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The radiology department in a tertiary referral hospital faces service operation challenges such as huge and various patient arrival, which can increase the probability of patient queuing. During the COVID-19 pandemic, it is mandatory to apply social distancing protocol in the radiology department. A strategy to prevent the accumulation of patients at one spot would be required. The aim of this study is to identify an alternative solution which can reduce the patient’s waiting time in radiology department. Discrete event simulation (DES) is used for this study by constructing several improvement scenarios with Arena simulation software. Statistical analysis is used to test the validity of the base case scenario model and to investigate the performance of the improvement scenarios. The result of this study shows that the selected scenario is able to reduce patient waiting time significantly, which leads to more efficient services in a radiology department, be able to serve patients more effectively, and thus increase patient satisfaction. The result of the simulation can be used by the hospital management to improve the operational performance of the radiology department.

Keywords: discrete event simulation, hospital management patient queuing model, radiology department services

Procedia PDF Downloads 119

Authors: Fethi Benyettou, Abdelkader Aissat, M. A. Benammar

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In this work, we use Silvaco TCAD software for modeling and simulations of standard GaAs solar cell, InAs/GaAs and GaSb/GaAs p-i-n quantum dot solar cell. When comparing 20-layer InAs/GaAs, GaSb/GaAs quantum dots solar cells with standard GaAs solar cell, the conversion efficiency in simulation results increased from 16.48 % to 22.6% and 16.48% to 22.42% respectively. Also, the absorption range edge of photons with low energies extended from 900 nm to 1200 nm.

Keywords: SILVACO TCAD, the quantum dot, simulation, materials engineering

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Authors: Mahdi Aghaei, Saeid Jamshidi, Mastaneh Hajipour

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Effective factors on the mechanical wellbore stability are divided in to two categories: 1) Controllable factors, 2) Uncontrollable factors. The purpose of geo-mechanical modeling of wells is to determine the limit of controlled parameters change based on the stress regime at each point and by solving the governing equations the pore-elastic environment around the well. In this research, the mechanical analysis of wellbore stability was carried out for Soroush oilfield. For this purpose, the geo-mechanical model of the field is made using available data. This model provides the necessary parameters for obtaining the distribution of stress around the wellbore. Initially, a basic model was designed to perform various analysis, based on obtained data, using Abaqus software. All of the subsequent sensitivity analysis such as sensitivity analysis on porosity, permeability, etc. was done on the same basic model. The results obtained from these analysis gives various result such as: with the constant geomechanical parameters, and sensitivity analysis on porosity permeability is ineffective. After the most important parameters affecting the wellbore stability and instability are geo-mechanical parameters.

Keywords: wellbore stability, movement, stress, instability

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Authors: Qian Zhao, Shi-Qi Liu, Bo Guo, Zhi-Jun Cheng, Xiao-Yue Wu

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Cold standby redundancy is considered to be an effective mechanism for improving system reliability and is widely used in industrial engineering. However, because of the complexity of the reliability structure, there is little literature studying on the residual life of cold standby system consisting of complex components. In this paper, a simulation method is presented to predict the residual life of k-out-of-n cold standby system. In practical cases, failure information of a system is either unknown, partly unknown or completely known. Our proposed method is designed to deal with the three scenarios, respectively. Differences between the procedures are analyzed. Finally, numerical examples are used to validate the proposed simulation method.

Keywords: cold standby system, k-out-of-n, residual life, simulation sampling

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Authors: Qing Zhang, Jiachen Nie, Yujia Wen, Guanyuan Kou, Peng Yu, Kun Xia, Qin Yang, Li Ding

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BACKGROUND: A facility layout problem (FLP) is an NP-complete (non-deterministic polynomial) problem, which is hard to obtain an exact optimal solution. FLP has been widely studied in various limited spaces and workflows. For example, cafeterias with many types of equipment for troops cause chaotic processes when dining. OBJECTIVE: This article tried to optimize the layout of troops’ cafeteria and to improve the overall efficiency of the dining process. METHODS: First, the original cafeteria layout design scheme was analyzed from an ergonomic perspective and two new design schemes were generated. Next, three facility layout models were designed, and further simulation was applied to compare the total time and density of troops between each scheme. Last, an experiment of the dining process with video observation and analysis verified the simulation results. RESULTS: In a simulation, the dining time under the second new layout is shortened by 2.25% and 1.89% (p<0.0001, p=0.0001) compared with the other two layouts, while troops-flow density and interference both greatly reduced in the two new layouts. In the experiment, process completing time and the number of interference reduced as well, which verified corresponding simulation results. CONCLUSIONS: Our two new layout schemes are tested to be optimal by a series of simulation and space experiments. In future research, similar approaches could be applied when taking layout-design algorithm calculation into consideration.

Keywords: layout optimization, dining efficiency, troops’ cafeteria, anylogic simulation, field experiment

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Authors: Mallikarjunachari G., Venkata Ravi M.

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The objective of this research work is to evaluate the mechanical properties such as elastic modulus and critical rupture load of tomato fruits. Determination of mechanical properties of tomato fruits is essential in various material handling applications, especially as related to robot harvesting, packaging, and transportation. However, extracting meaningful mechanical properties of tomato fruits are extremely challenging due to its layered structure, i.e., the combination of exocarp, mesocarp, and locular gel tissues. Apart from this layered structure, other physical parameters such as diameter, sphericity, locule number, and, the surface to volume ratio also influence the mechanical properties. In this research work, tomato fruits are cultivated in two different ways, namely organic and inorganic farming. Static compression tests are performed to extract the mechanical properties of tomato fruits. Finite element simulations are done to complement the experimental results. It is observed that the effective modulus decreases as the compression depth increase from 0.5 mm to 10 mm and also a critical load of fracture decreases as the locule number increases from 3 to 5. Significant differences in mechanical properties are observed between organically and inorganically cultivated tomato fruits. The current study significantly helps in the design of material handling systems to avoid damage of tomato fruits.

Keywords: elastic modulus, critical load of fracture, locule number, finite element analysis

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Authors: Tigist Girma Kedane

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The purpose of this paper is to evaluate the properties of Ethiopian bamboo fiber polymer composites for headliner materials in the automobile industry. Accurate evaluation of its mechanical properties is thus critical for predicting its behavior during a vehicle's interior impact assessment. Conventional headliner materials are higher in weight, nonbiodegradable, expensive in cost, and unecofriendly during processing compared to the current researched materials. Three representatives of bamboo plants are harvested in three regions of bamboo species, three groups of ages, and two harvesting months. The statistical analysis was performed to validate the significant difference between the mean strength of bamboo ages, harvesting seasons, and bamboo species. Two-year-old bamboo fibers have the highest mechanical properties in all ages and November has higher mechanical properties compared to February. Injibara and Kombolcha have the highest and the lowest mechanical properties of bamboo fibers, respectively. Bamboo fiber epoxy composites have higher mechanical properties compared to bamboo fiber polypropylene composites. The flexural strength of bamboo fibre polymer composites has higher properties compared to tensile strength. Ethiopian bamboo fibers and their polymer composites have the best mechanical properties for the composite industry, which is used for headliner materials in the automobile industry compared to conventional headliner materials.

Keywords: bampoo species, culm age, harvesting seasons, mechanical properties, polymer composite

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Authors: Belabed Lazhar

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The dimensioning of the anchored retaining screens passes always by the analysis of their stability. The calculation of anchoring lengths is practically carried out according to the mechanical model suggested by Kranz which is often criticized. The safety is evaluated through the comparison of interior force and external force. The force of anchoring over the length cut behind the failure solid is neglected. The failure surface cuts anchoring in the medium length of sealing. In this article, one proposes a new mechanical model which overcomes these disadvantages (simplifications) and gives interesting results.

Keywords: retaining walls, anchoring, stability, mechanical modeling, safety

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Authors: Yew Mun Yip, Dawei Zhang

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Proteins are the biological machinery that executes specific vital functions in every cell of the human body by folding into their 3D structures. When a protein misfolds from its native structure, the machinery will malfunction and lead to misfolding diseases. Although in vitro experiments are able to conclude that the mutations of the amino acid sequence lead to incorrectly folded protein structures, these experiments are unable to decipher the folding process. Therefore, molecular dynamic (MD) simulations are employed to simulate the folding process so that our improved understanding of the folding process will enable us to contemplate better treatments for misfolding diseases. MD simulations make use of force fields to simulate the folding process of peptides. Secondary structures are formed via the hydrogen bonds formed between the backbone atoms (C, O, N, H). It is important that the hydrogen bond energy computed during the MD simulation is accurate in order to direct the folding process to the native structure. Since the atoms involved in a hydrogen bond possess very dissimilar electronegativities, the more electronegative atom will attract greater electron density from the less electronegative atom towards itself. This is known as the polarization effect. Since the polarization effect changes the electron density of the two atoms in close proximity, the atomic charges of the two atoms should also vary based on the strength of the polarization effect. However, the fixed atomic charge scheme in force fields does not account for the polarization effect. In this study, we introduce the polarized structure-specific backbone charge (PSBC) model. The PSBC model accounts for the polarization effect in MD simulation by updating the atomic charges of the backbone hydrogen bond atoms according to equations derived between the amount of charge transferred to the atom and the length of the hydrogen bond, which are calculated from quantum-mechanical calculations. Compared to other polarizable models, the PSBC model does not require quantum-mechanical calculations of the peptide simulated at every time-step of the simulation and maintains the dynamic update of atomic charges, thereby reducing the computational cost and time while accounting for the polarization effect dynamically at the same time. The PSBC model is applied to two different β-peptides, namely the Beta3s/GS peptide, a de novo designed three-stranded β-sheet whose structure is folded in vitro and studied by NMR, and the trpzip peptides, a double-stranded β-sheet where a correlation is found between the type of amino acids that constitute the β-turn and the β-propensity.

Keywords: hydrogen bond, polarization effect, protein folding, PSBC

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Authors: Bencheikh Abdellah

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In this paper, we present a mathematical model dedicated to the simulation breaks bars in a three-phase cage induction motor. This model is based on a mesh circuit representing the rotor cage. The tested simulation allowed us to demonstrate the effectiveness of this model to describe the behavior of the machine in a healthy state, failure.

Keywords: AC motors, squirrel cage, diagnostics, MATLAB, SIMULINK

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Authors: A. K. Visnuprasad, P. J. Jojo, Reshma Bhaskaran

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Computational fluid dynamics (CFD) is used to simulate the distribution of indoor radon concentration in a living room with elevated levels of radon concentration which varies from 22 Bqm-3 to 1533 Bqm-3 in 24 hours. Finite volume method (FVM) was used for the simulation. The simulation results were experimentally validated at 16 points in two horizontal planes (y=1.4m & y=2.0m) using pin-hole dosimeters and at 3 points using scintillation radon monitor (SRM). Passive measurement using pin-hole dosimeters were performed in all seasons. Another simulation was done to find a suitable position for a passive ventilation system for the effective mitigation of radon.

Keywords: indoor radon, computational fluid dynamics, radon flux, ventilation rate, pin-hole dosimeter

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Authors: Sibel Daglilar, Isil Kerti, Murat Karagoz, Fatih Dumludag, Oguzhan Gunduz, Faik Nuzhet Oktar

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Hydroxyapatite (HA) materials have common use in bone repairing due to its ability to accelerate the bone growth around the implant. In spite of being a biocompatible and bioactive material, HA has a limited usage as an implant material because of its weak mechanical properties. HA based composites are required to improve the strength and toughness properties of the implant materials without compromising of biocompatibility. The excellent mechanical properties and higher biocompatibilities are expected from each of biomedical composites. In this study, HA composites were synthesized by using bovine bone reinforced doped with different amount of (wt.%) Li2O. The pressed pellets were sintered at various sintering temperatures between 1000ºC and 1300°C, and mechanical, electrical properties of the obtained products were characterized. In addition to that, in vitro stimulated body fluid (SBF) tests for these samples were conducted. The most suitable composite composition for biomedical applications was discussed among the composites studied.

Keywords: biocomposites, sintering temperature, biocompatibility, electrical property, conductivity, mechanical property

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Authors: Walid M. Adel, Liang Guo-Zhu

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To investigate the characterization of the mechanical properties of composite solid propellant (CSP) based on hydroxyl-terminated polybutadiene (HTPB) at different temperatures and strain rates, uniaxial tensile tests were conducted over a range of temperatures -60 °C to +76 °C and strain rates 0.000164 to 0.328084 s^-1 using a conventional universal testing machine. From the experimental data, it can be noted that the mechanical properties of AP/HTPB propellant are mainly dependent on the applied strain rate and the temperature condition. The stress-strain responses exhibited an initial yielding followed by the viscoelastic phase, which was strongly affected by the strain rate and temperature. It was found that the mechanical properties increased with both increasing strain rate and decreasing temperature. Based on the experimental tests, the master curves of the tensile properties are drawn using predetermined shift factor and the results were discussed. This work is a first step in preliminary investigation the nonlinear viscoelasticity behavior of CSP.

Keywords: AP/HTPB composite solid propellant, mechanical behavior, nonlinear viscoelastic, tensile test, strain rate

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