Search results for: material chemistry modeling
9723 Enhancement of Thermal Performance of Latent Heat Solar Storage System
Authors: Rishindra M. Sarviya, Ashish Agrawal
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Solar energy is available abundantly in the world, but it is not continuous and its intensity also varies with time. Due to above reason the acceptability and reliability of solar based thermal system is lower than conventional systems. A properly designed heat storage system increases the reliability of solar thermal systems by bridging the gap between the energy demand and availability. In the present work, two dimensional numerical simulation of the melting of heat storage material is presented in the horizontal annulus of double pipe latent heat storage system. Longitudinal fins were used as a thermal conductivity enhancement. Paraffin wax was used as a heat-storage or phase change material (PCM). Constant wall temperature is applied to heat transfer tube. Presented two-dimensional numerical analysis shows the movement of melting front in the finned cylindrical annulus for analyzing the thermal behavior of the system during melting.Keywords: latent heat, numerical study, phase change material, solar energy
Procedia PDF Downloads 3149722 Finite Element Analysis and Multibody Dynamics of 6-DOF Industrial Robot
Authors: Rahul Arora, S. S. Dhami
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This paper implements the design structure of industrial robot along with the different transmission components like gear assembly and analysis of complete industrial robot. In this paper, it gives the overview on the most efficient types of modeling and different analysis results that can be obtained for an industrial robot. The investigation is executed in regards to two classifications i.e. the deformation and the stress tests. SolidWorks is utilized to design and review the 3D drawing plan while ANSYS Workbench is utilized to execute the FEA on an industrial robot and the designed component. The CAD evaluation was conducted on a disentangled model of an industrial robot. The study includes design and drafting its transmission system. In CAE study static, modal and dynamic analysis are presented. Every one of the outcomes is divided in regard with the impact of the static and dynamic analysis on the situating exactness of the robot. It gives critical data with respect to parts of the industrial robot that are inclined to harm under higher high force applications. Therefore, the mechanical structure under different operating conditions can help in optimizing the manipulator geometry and in selecting the right material for the same. The FEA analysis is conducted for four different materials on the same industrial robot and gear assembly.Keywords: CAD, CAE, FEA, robot, static, dynamic, modal, gear assembly
Procedia PDF Downloads 3829721 Sustainable Manufacturing of Solenoid Valve Housing in Fiji: Fused Deposition Modeling (FDM) and Emergy Analysis
Authors: M. Hisham, S. Cabemaiwai, S. Prasad, T. Dauvakatini, R. Ananthanarayanan
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A solenoid valve is an important part of many fluid systems. Its purpose is to regulate fluid flow in a machine. Due to the crucial role of the solenoid valve and its design intricacy, it is quite expensive to obtain in Fiji and is not manufactured locally. A concern raised by the local health industry is that the housing of the solenoid valve gets damaged when machines are continuously being used and this part of the valve is very costly to replace due to the lack of availability in Fiji and many other South Pacific region countries. This study explores the agile manufacturing of a solenoid coil housing using the Fused Deposition Modeling (FDM) process. An emergy study was carried out to analyze the feasibility and sustainability of producing the part locally after estimating a Unit Emergy Value (or emergy transformity) of 1.27E+05 sej/j for the electricity in Fiji. The total emergy of the process was calculated to be 3.05E+12 sej, of which a majority was sourced from imported services and materials. Renewable emergy sources contributed to just 16.04% of the total emergy. Therefore, the part is suitable to be manufactured in Fiji with a reasonable quality and a cost of $FJ 2.85. However, the loading on the local environment is found to be significant and therefore, alternative raw materials for the filament like recycled PET should be explored or alternative manufacturing processes may be analyzed before committing to fabricating the part using FDM in its analyzed state.Keywords: emergy analysis, fused deposition modeling, solenoid valve housing, sustainable production
Procedia PDF Downloads 389720 Acoustic and Thermal Insulating Materials Based on Natural Fibres Used in Floor Construction
Authors: Jitka Hroudova, Jiri Zach
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The majority of contemporary insulation materials commonly used in the building industry is made from non-renewable raw materials; furthermore, their production often brings high energy costs. A long-term trend as far as sustainable development is concerned has been the reduction of energy and material demands of building material production. One of the solutions is the possibility of using easily renewable natural raw material sources which are considerably more ecological and their production is mostly less energy-consuming compared to the production of normal insulations (mineral wool, polystyrene). The paper describes the results of research focused on the development of thermal and acoustic insulation materials based on natural fibres intended for floor constructions. Given the characteristic open porosity of natural fibre materials, the hygrothermal behaviour of the developed materials was studied. Especially the influence of relative humidity and temperature on thermal insulation properties was observed.Keywords: Green thermal and acoustic insulating materials, natural fibres, technical hemp, flax, floor construction
Procedia PDF Downloads 3389719 Modeling The Deterioration Of Road Bridges At The Provincial Level In Laos
Authors: Hatthaphone Silimanotham, Michael Henry
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The effective maintenance of road bridge infrastructure is becoming a widely researched topic in the civil engineering field. Deterioration is one of the main issues in bridge performance, and it is necessary to understand how bridges deteriorate to optimally plan budget allocation for bridge maintenance. In Laos, many bridges are in a deteriorated state, which may affect the performance of the bridge. Due to bridge deterioration, the Ministry of Public Works and Transport is interested in the deterioration model to allocate the budget efficiently and support the bridge maintenance planning. A deterioration model can be used to predict the bridge condition in the future based on the observed behavior in the past. This paper analyzes the available inspection data of road bridges on the road classifications network to build deterioration prediction models for the main bridge type found at the provincial level (concrete slab, concrete girder, and steel truss) using probabilistic deterioration modeling by linear regression method. The analysis targets there has three bridge types in the 18 provinces of Laos and estimates the bridge deterioration rating for evaluating the bridge's remaining life. This research thus considers the relationship between the service period and the bridge condition to represent the probability of bridge condition in the future. The results of the study can be used for a variety of bridge management tasks, including maintenance planning, budgeting, and evaluating bridge assets.Keywords: deterioration model, bridge condition, bridge management, probabilistic modeling
Procedia PDF Downloads 1639718 Mechanistic Modelling to De-risk Process Scale-up
Authors: Edwin Cartledge, Jack Clark, Mazaher Molaei-Chalchooghi
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The mixing in the crystallization step of active pharmaceutical ingredient manufacturers was studied via advanced modeling tools to enable a successful scale-up. A virtual representation of the vessel was created, and computational fluid dynamics were used to simulate multiphase flow and, thus, the mixing environment within this vessel. The study identified a significant dead zone in the vessel underneath the impeller and found that increasing the impeller speed and power did not improve the mixing. A series of sensitivity analyses found that to improve mixing, the vessel had to be redesigned, and found that optimal mixing could be obtained by adding two extra cylindrical baffles. The same two baffles from the simulated environment were then constructed and added to the process vessel. By identifying these potential issues before starting the manufacture and modifying the vessel to ensure good mixing, this study mitigated a failed crystallization and potential batch disposal, which could have resulted in a significant loss of high-value material.Keywords: active pharmaceutical ingredient, baffles, computational fluid dynamics, mixing, modelling
Procedia PDF Downloads 1029717 Tracy: A Java Library to Render a 3D Graphical Human Model
Authors: Sina Saadati, Mohammadreza Razzazi
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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 1189716 The Effect of Chemical Degradation of a Nonwoven Filter Media Membrane in Polyester
Authors: Rachid El Aidani, Phuong Nguyen-Tri, Toan Vu-Khanh
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The filter media in synthetic fibre is the most geotextile materials used in aerosol and drainage filtration, particularly for buildings soil reinforcement in civil engineering due to its appropriated properties and its low cost. However, the current understanding of the durability and stability of this material in real service conditions, especially under severe long-term conditions are completely limited. This study has examined the effects of the chemical aging of a filter media in polyester non-woven under different temperatures (50, 70 and 80˚C) and pH (2. 7 and 12). The effect of aging conditions on mechanical properties, morphology, permeability, thermal stability and molar weigh changes is investigated. The results showed a significant reduction of mechanical properties in term of tensile strength, puncture force and tearing forces of the filter media after chemical aging due to the chemical degradation. The molar mass and mechanical properties changes in different temperature and pH showed a complex dependence of material properties on environmental conditions. The SEM and AFM characterizations showed a significant impact of the thermal aging on the morphological properties of the fibers. Based on the obtained results, the lifetime of the material in different temperatures was determined by the use of the Arrhenius model. These results provide useful information to better understand phenomena occurring during chemical aging of the filter media and may help to predict the service lifetime of this material in real used conditions.Keywords: nonwoven membrane, chemical aging, mechanical properties, lifetime, filter media
Procedia PDF Downloads 3229715 A System Dynamics Approach for Assessing Policy Impacts on Closed-Loop Supply Chain Efficiency: A Case Study on Electric Vehicle Batteries
Authors: Guannan Ren, Thomas Mazzuchi, Shahram Sarkani
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Electric vehicle battery recycling has emerged as a critical process in the transition toward sustainable transportation. As the demand for electric vehicles continues to rise, so does the need to address the end-of-life management of their batteries. Electric vehicle battery recycling benefits resource recovery and supply chain stability by reclaiming valuable metals like lithium, cobalt, nickel, and graphite. The reclaimed materials can then be reintroduced into the battery manufacturing process, reducing the reliance on raw material extraction and the environmental impacts of waste. Current battery recycling rates are insufficient to meet the growing demands for raw materials. While significant progress has been made in electric vehicle battery recycling, many areas can still improve. Standardization of battery designs, increased collection and recycling infrastructures, and improved efficiency in recycling processes are essential for scaling up recycling efforts and maximizing material recovery. This work delves into key factors, such as regulatory frameworks, economic incentives, and technological processes, that influence the cost-effectiveness and efficiency of battery recycling systems. A system dynamics model that considers variables such as battery production rates, demand and price fluctuations, recycling infrastructure capacity, and the effectiveness of recycling processes is created to study how these variables are interconnected, forming feedback loops that affect the overall supply chain efficiency. Such a model can also help simulate the effects of stricter regulations on battery disposal, incentives for recycling, or investments in research and development for battery designs and advanced recycling technologies. By using the developed model, policymakers, industry stakeholders, and researchers may gain insights into the effects of applying different policies or process updates on electric vehicle battery recycling rates.Keywords: environmental engineering, modeling and simulation, circular economy, sustainability, transportation science, policy
Procedia PDF Downloads 979714 Current Status of Industry 4.0 in Material Handling Automation and In-house Logistics
Authors: Orestis Κ. Efthymiou, Stavros T. Ponis
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In the last decade, a new industrial revolution seems to be emerging, supported -once again- by the rapid advancements of Information Technology in the areas of Machine-to-Machine (M2M) communication permitting large numbers of intelligent devices, e.g. sensors to communicate with each other and take decisions without any or minimum indirect human intervention. The advent of these technologies have triggered the emergence of a new category of hybrid (cyber-physical) manufacturing systems, combining advanced manufacturing techniques with innovative M2M applications based on the Internet of Things (IoT), under the umbrella term Industry 4.0. Even though the topic of Industry 4.0 has attracted much attention during the last few years, the attempts of providing a systematic literature review of the subject are scarce. In this paper, we present the authors’ initial study of the field with a special focus on the use and applications of Industry 4.0 principles in material handling automations and in-house logistics. Research shows that despite the vivid discussion and attractiveness of the subject, there are still many challenges and issues that have to be addressed before Industry 4.0 becomes standardized and widely applicable.Keywords: Industry 4.0, internet of things, manufacturing systems, material handling, logistics
Procedia PDF Downloads 1309713 Material Parameter Identification of Modified AbdelKarim-Ohno Model
Authors: Martin Cermak, Tomas Karasek, Jaroslav Rojicek
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The key role in phenomenological modelling of cyclic plasticity is good understanding of stress-strain behaviour of given material. There are many models describing behaviour of materials using numerous parameters and constants. Combination of individual parameters in those material models significantly determines whether observed and predicted results are in compliance. Parameter identification techniques such as random gradient, genetic algorithm, and sensitivity analysis are used for identification of parameters using numerical modelling and simulation. In this paper genetic algorithm and sensitivity analysis are used to study effect of 4 parameters of modified AbdelKarim-Ohno cyclic plasticity model. Results predicted by Finite Element (FE) simulation are compared with experimental data from biaxial ratcheting test with semi-elliptical loading path.Keywords: genetic algorithm, sensitivity analysis, inverse approach, finite element method, cyclic plasticity, ratcheting
Procedia PDF Downloads 4549712 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
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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 3329711 Synthesis, Characterization and Photocatalytic Performance of TiO2 Co-doped with Bismuth and Zinc
Authors: B.Benalioua, I.Benyamina, A.Bentouami, B.Boury
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The objective of this study is based on the synthesis of a new photocatalyst based on TiO2 and its application in the photo-degradation of an acid dye under the visible light. The material obtained was characterized by different techniques like diffuse reflectance UV–Vis spectroscopy (DRS), X-ray diffraction (XRD) and scanning electron microscopy (SEM). The photocatalytic efficiency of the Bi, Zn co-doped TiO2 treated at 670°C for 2 h was tested on the Indigo Carmine under the irradiation of visible light and compared with that of the commercial titanium oxide TiO2-P25 (Degussa). The XRD characterization of the material Bi-Zn-TiO2 (670°C) revealed the presence of the anatase phase and the absence of the rutile phase in comparison of the TiO2 P25 diffractogram. Characterization by UV- visible diffuse reflection (DRS) material showed that the Bi-Zn-TiO2 exhibits redshift (move visible) relative to commercial titanium oxide TiO2-P25, this property promises a photocatalytic activity of Bi-Zn-TiO2 under visible light. Indeed, the efficiency of photocatalytic Bi-Zn-TiO2 as a visible light is shown by a complete discoloration of indigo carmine solution of 16 mg/L after 70 minutes, whereas with the P25-TiO2 discoloration is achieved after 120 minutes.Keywords: POA, heterogeneous photocatalysis, TiO2, co-doping
Procedia PDF Downloads 3149710 Synthesis, Characterization and Photocatalytic Performance of TiO2 Co-Doped with Sulfur and Nitrogen
Authors: B. Benalioua, I. Benyamina, A. Bentouami, B. Boury
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The objective of this study is based on the synthesis of a new photocatalyst based on TiO2 and its application in the photo-degradation of an acid dye under the visible light. The material obtained was characterized by different techniques like diffuse reflectance UV–Vis spectroscopy (DRS), X-ray diffraction (XRD) and scanning electron microscopy (SEM). The photocatalytic efficiency of the S, N co-doped TiO2 treated at 600°C for 1 h was tested on the Indigo Carmine under the irradiation of visible light and compared with that of the commercial titanium oxide TiO2-P25 (Degussa). The XRD characterization of the material S-N-TiO2 (600°C) revealed the presence of the anatase phase and the absence of the rutile phase in comparison of the TiO2 P25 diffractogram. Characterization by UV- visible diffuse reflection (DRS) material showed that the S-N-TiO2 exhibits redshift (move visible) relative to commercial titanium oxide TiO2-P25, this property promises a photocatalytic activity of S-N-TiO2 under visible light. Indeed, the efficiency of photocatalytic S-N-TiO2 as a visible light is shown by a complete discoloration of indigo carmine solution of 16 mg/L after 40 minutes, whereas with the P25-TiO2 discoloration is achieved after 90 minutes.Keywords: POA, heterogeneous photocatalysis, TiO2, co-doping
Procedia PDF Downloads 3679709 Mesoporous BiVO4 Thin Films as Efficient Visible Light Driven Photocatalyst
Authors: Karolina Ordon, Sandrine Coste, Malgorzata Makowska-Janusik, Abdelhadi Kassiba
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Photocatalytic processes play key role in the production of a new source of energy (as hydrogen), design of self-cleaning surfaces or for the environment preservation. The most challenging task deals with the purification of water distinguished by high efficiency. In the mentioned process, organic pollutants in solutions are decomposed to the simple, non-toxic compounds as H2O and CO2. The most known photocatalytic materials are ZnO, CdS and TiO2 semiconductors with a particular involvement of TiO2 as an efficient photocatalysts even with a high band gap equal to 3.2 eV which exploit only UV radiation from solar emitted spectrum. However, promising material with visible light induced photoactivity was searched through the monoclinic polytype of BiVO4 which has energy gap about 2.4 eV. As required in heterogeneous photocatalysis, the high contact surface is required. Also, BiVO4 as photocatalyst can be optimized by increasing its surface area by achieving the mesoporous structure synthesize. The main goal of the present work consists in the synthesis and characterization of BiVO4 mesoporous thin film. The synthesis method based on sol-gel was carried out using a standard surfactants such as P123 and F127. The thin film was deposited by spin and dip coating method. Then, the structural analysis of the obtained material was performed thanks to X-ray diffraction (XRD) and Raman spectroscopy. The surface of resulting structure was investigated using a scanning electron microscopy (SEM). The computer simulations based on modeling the optical and electronic properties of bulk BiVO4 by using DFT (density functional theory) methodology were carried out. The semiempirical parameterized method PM6 was used to compute the physical properties of BiVO4 nanostructures. The Raman and IR absorption spectra were also measured for synthesized mesoporous material, and the results were compared with the theoretical predictions. The simulations of nanostructured BiVO4 have pointed out the occurrence of quantum confinement for nanosized clusters leading to widening of the band gap. This result overcame the relevance of nanosized objects to harvest wide part of the solar spectrum. Also, a balance was searched experimentally through the mesoporous nature of the films devoted to enhancing the contact surface as required for heterogeneous catalysis without to lower the nanocrystallite size under some critical sizes inducing an increased band gap. The present contribution will discuss the relevant features of the mesoporous films with respect to their photocatalytic responses.Keywords: bismuth vanadate, photocatalysis, thin film, quantum-chemical calculations
Procedia PDF Downloads 3319708 Swastika Shape Multiband Patch Antenna for Wireless Applications on Low Cost Substrate
Authors: Md. Samsuzzaman, M. T. Islam, J. S. Mandeep, N. Misran
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In this article, a compact simple structure modified Swastika shape patch multiband antenna on a substrate of available low cost polymer resin composite material is designed for Wi-Fi and WiMAX applications. The substrate material consists of an epoxy matrix reinforced by woven glass. The designed micro-strip line fed compact antenna comprises of a planar wide square slot ground with four slits and Swastika shape radiation patch with a rectangular slot. The effect of the different substrate materials on the reflection coefficients of the proposed antennas was also analyzed. It can be clearly seen that the proposed antenna provides a wider bandwidth and acceptable return loss value compared to other reported materials. The simulation results exhibits that the antenna has an impedance bandwidth with -10 dB return loss at 3.01-3.89 GHz and 4.88-6.10 GHz which can cover both the WLAN, WiMAX and public safety WLAN bands. The proposed swastika shape antenna was designed and analyzed by using a finite element method based simulator HFSS and designed on a low cost FR4 (polymer resin composite material) printed circuit board. The electrical performances and superior frequency characteristics make the proposed material antenna desirable for wireless communications.Keywords: epoxy resin polymer, multiband, swastika shaped, wide slot, WLAN/WiMAX
Procedia PDF Downloads 4569707 Modeling Generalization in the Acquired Equivalence Paradigm with the Successor Representation
Authors: Troy M. Houser
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The successor representation balances flexible and efficient reinforcement learning by learning to predict the future, given the present. As such, the successor representation models stimuli as what future states they lead to. Therefore, two stimuli that are perceptually dissimilar but lead to the same future state will come to be represented more similarly. This is very similar to an older behavioral paradigm -the acquired equivalence paradigm, which measures the generalization of learned associations. Here, we test via computational modeling the plausibility that the successor representation is the mechanism by which people generalize knowledge learned in the acquired equivalence paradigm. Computational evidence suggests that this is a plausible mechanism for acquired equivalence and thus can guide future empirical work on individual differences in associative-based generalization.Keywords: acquired equivalence, successor representation, generalization, decision-making
Procedia PDF Downloads 339706 Romanian Teachers' Perspectives of Different Leadership Styles
Authors: Ralpian Randolian
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Eighty-five Romanian teachers and principals participated on this study to examine their perspectives of different leadership styles. Demographic variables such as the source of degree (Romania, Europe institutes, USA institutes, etc.), gender, region, level taught, years of experience, and specialty were identified. The researcher developed a questionnaire that consisted of 4 leadership styles. The data were analyzed using structural equation modeling (SEM) to identify which of the variables best predict the leadership styles. Results indicated that the democracy style was the most preferred leadership style by Jordanian parents, while the authoritarian styles ranked second. The results also found statistically significant differences were found related to the study variables. This study ends by putting forward a number of suggestions and recommendation.Keywords: teachers’ perspectives, leadership styles, gender, structural equation modeling
Procedia PDF Downloads 4959705 Multiscale Connected Component Labelling and Applications to Scientific Microscopy Image Processing
Authors: Yayun Hsu, Henry Horng-Shing Lu
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In this paper, a new method is proposed to extending the method of connected component labeling from processing binary images to multi-scale modeling of images. By using the adaptive threshold of multi-scale attributes, this approach minimizes the possibility of missing those important components with weak intensities. In addition, the computational cost of this approach remains similar to that of the typical approach of component labeling. Then, this methodology is applied to grain boundary detection and Drosophila Brain-bow neuron segmentation. These demonstrate the feasibility of the proposed approach in the analysis of challenging microscopy images for scientific discovery.Keywords: microscopic image processing, scientific data mining, multi-scale modeling, data mining
Procedia PDF Downloads 4449704 Modelling of the Fire Pragmatism in the Area of Military Management and Its Experimental Verification
Authors: Ivana Mokrá
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The article deals with modelling of the fire pragmatism in the area of military management and its experimental verification. Potential approaches are based on the synergy of mathematical and theoretical ideas, operational and tactical requirements and the military decision-making process. This issue has taken on importance in recent times, particularly with the increasing trend of digitized battlefield, the development of C4ISR systems and intention to streamline the command and control process at the lowest levels of command. From fundamental and philosophical point of view, these new approaches seek to significantly upgrade and enhance the decision-making process of the tactical commanders.Keywords: military management, decision-making process, strike modeling, experimental evaluation, pragmatism, tactical strike modeling
Procedia PDF Downloads 3929703 The Nature of Intelligence and Its Forms: An Ontological-Modeling Approach
Authors: Husam El-Asfour, Fateh Adhnouss, Kenneth McIsaac, Abdul Mutalib Wahaishi, Raafat Aburukba, Idris El-Feghia
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Although intelligence is commonly referred to as the observable behavior in various fields and domains, it must also be shown how it develops by exhibiting multiple forms and without observing the inherent behavior. There have been several official and informal definitions of intelligence in various areas; however, no scientific agreement on a definition has been agreed upon. There must be a single definition, structure, and precise modeling for articulating how intelligence is perceived by people and machines in order to comprehend intelligence. Another key challenge is defining the different environment types based on the integral elements (agents) and their possible interactions. On the basis of conceptualization, this paper proposes a formal model for defining and developing intelligence. Forms of intelligence are derived from an ontological view, and thus intelligence is defined, described, and modeled based on the various types of environments.Keywords: intelligence, forms, transformation, conceptualization, ontological view
Procedia PDF Downloads 1479702 Clustering of Natural and Nature Derived Compounds for Cardiovascular Disease: Pharmacophore Modeling
Authors: S. Roy, R. Rekha, K. Sriram, G. Subhadra, R. Johana
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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 3229701 Influence of Densification Process and Material Properties on Final Briquettes Quality from FastGrowing Willows
Authors: Peter Križan, Juraj Beniak, Ľubomír Šooš, Miloš Matúš
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Biomass treatment through densification is very suitable and important technology before its effective energy recovery. Densification process of biomass is significantly influenced by various technological and also material parameters which are ultimately reflected on the final solid Biofuels quality. The paper deals with the experimental research of the relationship between technological and material parameters during densification of fast-growing trees, roundly fast-rowing willow. The main goal of presented experimental research is to determine the relationship between pressing pressure raw material fraction size from a final briquettes density point of view. Experimental research was realized by single-axis densification. The impact of fraction size with interaction of pressing pressure and stabilization time on the quality properties of briquettes was determined. These parameters interaction affects the final solid biofuels (briquettes) quality. From briquettes production point of view and also from densification machines constructions point of view is very important to know about mutual interaction of these parameters on final briquettes quality. The experimental findings presented here are showing the importance of mentioned parameters during the densification process.Keywords: briquettes density, densification, fraction size, pressing pressure, stabilization time
Procedia PDF Downloads 3699700 Towards Automatic Calibration of In-Line Machine Processes
Authors: David F. Nettleton, Elodie Bugnicourt, Christian Wasiak, Alejandro Rosales
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In this presentation, preliminary results are given for the modeling and calibration of two different industrial winding MIMO (Multiple Input Multiple Output) processes using machine learning techniques. In contrast to previous approaches which have typically used ‘black-box’ linear statistical methods together with a definition of the mechanical behavior of the process, we use non-linear machine learning algorithms together with a ‘white-box’ rule induction technique to create a supervised model of the fitting error between the expected and real force measures. The final objective is to build a precise model of the winding process in order to control de-tension of the material being wound in the first case, and the friction of the material passing through the die, in the second case. Case 1, Tension Control of a Winding Process. A plastic web is unwound from a first reel, goes over a traction reel and is rewound on a third reel. The objectives are: (i) to train a model to predict the web tension and (ii) calibration to find the input values which result in a given tension. Case 2, Friction Force Control of a Micro-Pullwinding Process. A core+resin passes through a first die, then two winding units wind an outer layer around the core, and a final pass through a second die. The objectives are: (i) to train a model to predict the friction on die2; (ii) calibration to find the input values which result in a given friction on die2. Different machine learning approaches are tested to build models, Kernel Ridge Regression, Support Vector Regression (with a Radial Basis Function Kernel) and MPART (Rule Induction with continuous value as output). As a previous step, the MPART rule induction algorithm was used to build an explicative model of the error (the difference between expected and real friction on die2). The modeling of the error behavior using explicative rules is used to help improve the overall process model. Once the models are built, the inputs are calibrated by generating Gaussian random numbers for each input (taking into account its mean and standard deviation) and comparing the output to a target (desired) output until a closest fit is found. The results of empirical testing show that a high precision is obtained for the trained models and for the calibration process. The learning step is the slowest part of the process (max. 5 minutes for this data), but this can be done offline just once. The calibration step is much faster and in under one minute obtained a precision error of less than 1x10-3 for both outputs. To summarize, in the present work two processes have been modeled and calibrated. A fast processing time and high precision has been achieved, which can be further improved by using heuristics to guide the Gaussian calibration. Error behavior has been modeled to help improve the overall process understanding. This has relevance for the quick optimal set up of many different industrial processes which use a pull-winding type process to manufacture fibre reinforced plastic parts. Acknowledgements to the Openmind project which is funded by Horizon 2020 European Union funding for Research & Innovation, Grant Agreement number 680820Keywords: data model, machine learning, industrial winding, calibration
Procedia PDF Downloads 2449699 Enzyme Immobilization: A Strategy to Overcome Enzyme Limitations and Expand Their Applications
Authors: Charline Monnier, Rudolf Andrys, Irene Castellino, Lucie Zemanova
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Due to their inherent sustainability and compatibility with green chemistry principles, enzymes are attracting increasing attention for various applications like bioremediation or biocatalysis. These natural catalysts boast remarkable substrate specificity and operate under mild biological conditions. However, their intrinsic limitations, such as instability at high temperatures or in organic solvents, impede their wider applicability. Enzyme immobilization on supportive matrices emerges as a promising strategy to address these challenges. This approach not only facilitates enzyme reusability but also offers the potential to modulate their stability, activity, and selectivity. The present study investigates the immobilization and application of two distinct groups of hydrolases on supportive matrices: PETases, naturally capable of PolyEthylene Terephthalate (PET) degradation, and cholinesterases (ChEs), key enzymes in neurotransmitter regulation. All tested enzymes will be immobilized on porous and non-porous particles using both covalent and non-covalent methods. Additionally, the stability of PETases and cholinesterases will be explored, followed by exposure to denaturing conditions to assess their resilience under harsh conditions. Furthermore, due to the exceptional catalytic efficiency and selectivity, their biocatalytic efficiency will be tested using xenobiotic substrates, aiming to establish them as replacements for conventional chemical catalysts in environmentally friendly processes. By exploiting the power of enzyme immobilization, this research strives to unlock the full potential of these biocatalysts for sustainable and efficient technological advancements.Keywords: biocatalysis, bioremediation, enzyme efficiency, enzyme immobilization, green chemistry
Procedia PDF Downloads 619698 Finite Element Modeling of Integral Abutment Bridge for Lateral Displacement
Authors: M. Naji, A. R. Khalim, M. Naji
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Integral Abutment Bridges (IAB) are defined as simple or multiple span bridges in which the bridge deck is cast monolithically with the abutment walls. This kind of bridges are becoming very popular due to different aspects such as good response under seismic loading, low initial costs, elimination of bearings and less maintenance. However, the main issue related to the analysis of this type of structures is dealing with soil-structure interaction of the abutment walls and the supporting piles. A two-dimensional, non-linear finite element (FE) model of an integral abutment bridge has been developed to study the effect of lateral time history displacement loading on the soil system.Keywords: integral abutment bridge, soil structure interaction, finite element modeling, soil-pile interaction
Procedia PDF Downloads 2939697 Self-Assembled Laser-Activated Plasmonic Substrates for High-Throughput, High-Efficiency Intracellular Delivery
Authors: Marinna Madrid, Nabiha Saklayen, Marinus Huber, Nicolas Vogel, Christos Boutopoulos, Michel Meunier, Eric Mazur
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Delivering material into cells is important for a diverse range of biological applications, including gene therapy, cellular engineering and imaging. We present a plasmonic substrate for delivering membrane-impermeable material into cells at high throughput and high efficiency while maintaining cell viability. The substrate fabrication is based on an affordable and fast colloidal self-assembly process. When illuminated with a femtosecond laser, the light interacts with the electrons at the surface of the metal substrate, creating localized surface plasmons that form bubbles via energy dissipation in the surrounding medium. These bubbles come into close contact with the cell membrane to form transient pores and enable entry of membrane-impermeable material via diffusion. We use fluorescence microscopy and flow cytometry to verify delivery of membrane-impermeable material into HeLa CCL-2 cells. We show delivery efficiency and cell viability data for a range of membrane-impermeable cargo, including dyes and biologically relevant material such as siRNA. We estimate the effective pore size by determining delivery efficiency for hard fluorescent spheres with diameters ranging from 20 nm to 2 um. To provide insight to the cell poration mechanism, we relate the poration data to pump-probe measurements of micro- and nano-bubble formation on the plasmonic substrate. Finally, we investigate substrate stability and reusability by using scanning electron microscopy (SEM) to inspect for damage on the substrate after laser treatment. SEM images show no visible damage. Our findings indicate that self-assembled plasmonic substrates are an affordable tool for high-throughput, high-efficiency delivery of material into mammalian cells.Keywords: femtosecond laser, intracellular delivery, plasmonic, self-assembly
Procedia PDF Downloads 5339696 Fracture Behaviour of Functionally Graded Materials Using Graded Finite Elements
Authors: Mohamad Molavi Nojumi, Xiaodong Wang
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In this research fracture behaviour of linear elastic isotropic functionally graded materials (FGMs) are investigated using modified finite element method (FEM). FGMs are advantageous because they enhance the bonding strength of two incompatible materials, and reduce the residual stress and thermal stress. Ceramic/metals are a main type of FGMs. Ceramic materials are brittle. So, there is high possibility of crack existence during fabrication or in-service loading. In addition, damage analysis is necessary for a safe and efficient design. FEM is a strong numerical tool for analyzing complicated problems. Thus, FEM is used to investigate the fracture behaviour of FGMs. Here an accurate 9-node biquadratic quadrilateral graded element is proposed in which the influence of the variation of material properties is considered at the element level. The stiffness matrix of graded elements is obtained using the principle of minimum potential energy. The implementation of graded elements prevents the forced sudden jump of material properties in traditional finite elements for modelling FGMs. Numerical results are verified with existing solutions. Different numerical simulations are carried out to model stationary crack problems in nonhomogeneous plates. In these simulations, material variation is supposed to happen in directions perpendicular and parallel to the crack line. Two special linear and exponential functions have been utilized to model the material gradient as they are mostly discussed in literature. Also, various sizes of the crack length are considered. A major difference in the fracture behaviour of FGMs and homogeneous materials is related to the break of material symmetry. For example, when the material gradation direction is normal to the crack line, even under applying the mode I loading there exists coupled modes I and II of fracture which originates from the induced shear in the model. Therefore, the necessity of the proper modelling of the material variation should be considered in capturing the fracture behaviour of FGMs specially, when the material gradient index is high. Fracture properties such as mode I and mode II stress intensity factors (SIFs), energy release rates, and field variables near the crack tip are investigated and compared with results obtained using conventional homogeneous elements. It is revealed that graded elements provide higher accuracy with less effort in comparison with conventional homogeneous elements.Keywords: finite element, fracture mechanics, functionally graded materials, graded element
Procedia PDF Downloads 1769695 Multivariate Dependent Frequency-Severity Modeling of Insurance Claims: A Vine Copula Approach
Authors: Islem Kedidi, Rihab Bedoui Bensalem, Faysal Manssouri
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In traditional models of insurance data, the number and size of claims are assumed to be independent. Relaxing the independence assumption, this article explores the Vine copula to model dependence structure between multivariate frequency and average severity of insurance claim. To illustrate this approach, we use the Wisconsin local government property insurance fund which offers several insurance protections for motor vehicles, property and contractor’s equipment claims. Results show that the C-vine copula can better characterize the multivariate dependence structure between frequency and severity. Furthermore, we find significant dependencies especially between frequency and average severity among different coverage types.Keywords: dependency modeling, government insurance, insurance claims, vine copula
Procedia PDF Downloads 2159694 From Type-I to Type-II Fuzzy System Modeling for Diagnosis of Hepatitis
Authors: Shahabeddin Sotudian, M. H. Fazel Zarandi, I. B. Turksen
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Hepatitis is one of the most common and dangerous diseases that affects humankind, and exposes millions of people to serious health risks every year. Diagnosis of Hepatitis has always been a challenge for physicians. This paper presents an effective method for diagnosis of hepatitis based on interval Type-II fuzzy. This proposed system includes three steps: pre-processing (feature selection), Type-I and Type-II fuzzy classification, and system evaluation. KNN-FD feature selection is used as the preprocessing step in order to exclude irrelevant features and to improve classification performance and efficiency in generating the classification model. In the fuzzy classification step, an “indirect approach” is used for fuzzy system modeling by implementing the exponential compactness and separation index for determining the number of rules in the fuzzy clustering approach. Therefore, we first proposed a Type-I fuzzy system that had an accuracy of approximately 90.9%. In the proposed system, the process of diagnosis faces vagueness and uncertainty in the final decision. Thus, the imprecise knowledge was managed by using interval Type-II fuzzy logic. The results that were obtained show that interval Type-II fuzzy has the ability to diagnose hepatitis with an average accuracy of 93.94%. The classification accuracy obtained is the highest one reached thus far. The aforementioned rate of accuracy demonstrates that the Type-II fuzzy system has a better performance in comparison to Type-I and indicates a higher capability of Type-II fuzzy system for modeling uncertainty.Keywords: hepatitis disease, medical diagnosis, type-I fuzzy logic, type-II fuzzy logic, feature selection
Procedia PDF Downloads 311