Search results for: building energy simulation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 15346

Search results for: building energy simulation

2146 Artificial Intelligent-Based Approaches for Task ‎Offloading, ‎Resource ‎Allocation and Service ‎Placement of ‎Internet of Things ‎Applications: State of the Art

Authors: Fatima Z. Cherhabil, Mammar Sedrati, Sonia-Sabrina Bendib‎

Abstract:

In order to support the continued growth, critical latency of ‎IoT ‎applications, and ‎various obstacles of traditional data centers, ‎mobile edge ‎computing (MEC) has ‎emerged as a promising solution that extends cloud data-processing and decision-making to edge devices. ‎By adopting a MEC structure, IoT applications could be executed ‎locally, on ‎an edge server, different fog nodes, or distant cloud ‎data centers. However, we are ‎often ‎faced with wanting to optimize conflicting criteria such as ‎minimizing energy ‎consumption of limited local capabilities (in terms of CPU, RAM, storage, bandwidth) of mobile edge ‎devices and trying to ‎keep ‎high performance (reducing ‎response time, increasing throughput and service availability) ‎at the same ‎time‎. Achieving one goal may affect the other, making task offloading (TO), ‎resource allocation (RA), and service placement (SP) complex ‎processes. ‎It is a nontrivial multi-objective optimization ‎problem ‎to study the trade-off between conflicting criteria. ‎The paper provides a survey on different TO, SP, and RA recent multi-‎objective optimization (MOO) approaches used in edge computing environments, particularly artificial intelligent (AI) ones, to satisfy various objectives, constraints, and dynamic conditions related to IoT applications‎.

Keywords: mobile edge computing, multi-objective optimization, artificial ‎intelligence ‎approaches, task offloading, resource allocation, ‎ service placement

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2145 Design and Fabrication of a Smart Quadruped Robot

Authors: Shivani Verma, Amit Agrawal, Pankaj Kumar Meena, Ashish B. Deoghare

Abstract:

Over the decade robotics has been a major area of interest among the researchers and scientists in reducing human efforts. The need for robots to replace human work in different dangerous fields such as underground mining, nuclear power station and war against terrorist attack has gained huge attention. Most of the robot design is based on human structure popularly known as humanoid robots. However, the problems encountered in humanoid robots includes low speed of movement, misbalancing in structure, poor load carrying capacity, etc. The simplification and adaptation of the fundamental design principles seen in animals have led to the creation of bio-inspired robots. But the major challenges observed in naturally inspired robot include complexity in structure, several degrees of freedom and energy storage problem. The present work focuses on design and fabrication of a bionic quadruped walking robot which is based on different joint of quadruped mammals like a dog, cheetah, etc. The design focuses on the structure of the robot body which consists of four legs having three degrees of freedom per leg and the electronics system involved in it. The robot is built using readily available plastics and metals. The proposed robot is simple in construction and is able to move through uneven terrain, detect and locate obstacles and take images while carrying additional loads which may include hardware and sensors. The robot will find possible application in the artificial intelligence sector.

Keywords: artificial intelligence, bionic, quadruped robot, degree of freedom

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2144 Conflict Resolution in Fuzzy Rule Base Systems Using Temporal Modalities Inference

Authors: Nasser S. Shebka

Abstract:

Fuzzy logic is used in complex adaptive systems where classical tools of representing knowledge are unproductive. Nevertheless, the incorporation of fuzzy logic, as it’s the case with all artificial intelligence tools, raised some inconsistencies and limitations in dealing with increased complexity systems and rules that apply to real-life situations and hinders the ability of the inference process of such systems, but it also faces some inconsistencies between inferences generated fuzzy rules of complex or imprecise knowledge-based systems. The use of fuzzy logic enhanced the capability of knowledge representation in such applications that requires fuzzy representation of truth values or similar multi-value constant parameters derived from multi-valued logic, which set the basis for the three t-norms and their based connectives which are actually continuous functions and any other continuous t-norm can be described as an ordinal sum of these three basic ones. However, some of the attempts to solve this dilemma were an alteration to fuzzy logic by means of non-monotonic logic, which is used to deal with the defeasible inference of expert systems reasoning, for example, to allow for inference retraction upon additional data. However, even the introduction of non-monotonic fuzzy reasoning faces a major issue of conflict resolution for which many principles were introduced, such as; the specificity principle and the weakest link principle. The aim of our work is to improve the logical representation and functional modelling of AI systems by presenting a method of resolving existing and potential rule conflicts by representing temporal modalities within defeasible inference rule-based systems. Our paper investigates the possibility of resolving fuzzy rules conflict in a non-monotonic fuzzy reasoning-based system by introducing temporal modalities and Kripke's general weak modal logic operators in order to expand its knowledge representation capabilities by means of flexibility in classifying newly generated rules, and hence, resolving potential conflicts between these fuzzy rules. We were able to address the aforementioned problem of our investigation by restructuring the inference process of the fuzzy rule-based system. This is achieved by using time-branching temporal logic in combination with restricted first-order logic quantifiers, as well as propositional logic to represent classical temporal modality operators. The resulting findings not only enhance the flexibility of complex rule-base systems inference process but contributes to the fundamental methods of building rule bases in such a manner that will allow for a wider range of applicable real-life situations derived from a quantitative and qualitative knowledge representational perspective.

Keywords: fuzzy rule-based systems, fuzzy tense inference, intelligent systems, temporal modalities

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2143 Wind Speed Forecasting Based on Historical Data Using Modern Prediction Methods in Selected Sites of Geba Catchment, Ethiopia

Authors: Halefom Kidane

Abstract:

This study aims to assess the wind resource potential and characterize the urban area wind patterns in Hawassa City, Ethiopia. The estimation and characterization of wind resources are crucial for sustainable urban planning, renewable energy development, and climate change mitigation strategies. A secondary data collection method was used to carry out the study. The collected data at 2 meters was analyzed statistically and extrapolated to the standard heights of 10-meter and 30-meter heights using the power law equation. The standard deviation method was used to calculate the value of scale and shape factors. From the analysis presented, the maximum and minimum mean daily wind speed at 2 meters in 2016 was 1.33 m/s and 0.05 m/s in 2017, 1.67 m/s and 0.14 m/s in 2018, 1.61m and 0.07 m/s, respectively. The maximum monthly average wind speed of Hawassa City in 2016 at 2 meters was noticed in the month of December, which is around 0.78 m/s, while in 2017, the maximum wind speed was recorded in the month of January with a wind speed magnitude of 0.80 m/s and in 2018 June was maximum speed which is 0.76 m/s. On the other hand, October was the month with the minimum mean wind speed in all years, with a value of 0.47 m/s in 2016,0.47 in 2017 and 0.34 in 2018. The annual mean wind speed was 0.61 m/s in 2016,0.64, m/s in 2017 and 0.57 m/s in 2018 at a height of 2 meters. From extrapolation, the annual mean wind speeds for the years 2016,2017 and 2018 at 10 heights were 1.17 m/s,1.22 m/s, and 1.11 m/s, and at the height of 30 meters, were 3.34m/s,3.78 m/s, and 3.01 m/s respectively/Thus, the site consists mainly primarily classes-I of wind speed even at the extrapolated heights.

Keywords: artificial neural networks, forecasting, min-max normalization, wind speed

Procedia PDF Downloads 75
2142 3D Text Toys: Creative Approach to Experiential and Immersive Learning for World Literacy

Authors: Azyz Sharafy

Abstract:

3D Text Toys is an innovative and creative approach that utilizes 3D text objects to enhance creativity, literacy, and basic learning in an enjoyable and gamified manner. By using 3D Text Toys, children can develop their creativity, visually learn words and texts, and apply their artistic talents within their creative abilities. This process incorporates haptic engagement with 2D and 3D texts, word building, and mechanical construction of everyday objects, thereby facilitating better word and text retention. The concept involves constructing visual objects made entirely out of 3D text/words, where each component of the object represents a word or text element. For instance, a bird can be recreated using words or text shaped like its wings, beak, legs, head, and body, resulting in a 3D representation of the bird purely composed of text. This can serve as an art piece or a learning tool in the form of a 3D text toy. These 3D text objects or toys can be crafted using natural materials such as leaves, twigs, strings, or ropes, or they can be made from various physical materials using traditional crafting tools. Digital versions of these objects can be created using 2D or 3D software on devices like phones, laptops, iPads, or computers. To transform digital designs into physical objects, computerized machines such as CNC routers, laser cutters, and 3D printers can be utilized. Once the parts are printed or cut out, students can assemble the 3D texts by gluing them together, resulting in natural or everyday 3D text objects. These objects can be painted to create artistic pieces or text toys, and the addition of wheels can transform them into moving toys. One of the significant advantages of this visual and creative object-based learning process is that students not only learn words but also derive enjoyment from the process of creating, painting, and playing with these objects. The ownership and creation process further enhances comprehension and word retention. Moreover, for individuals with learning disabilities such as dyslexia, ADD (Attention Deficit Disorder), or other learning difficulties, the visual and haptic approach of 3D Text Toys can serve as an additional creative and personalized learning aid. The application of 3D Text Toys extends to both the English language and any other global written language. The adaptation and creative application may vary depending on the country, space, and native written language. Furthermore, the implementation of this visual and haptic learning tool can be tailored to teach foreign languages based on age level and comprehension requirements. In summary, this creative, haptic, and visual approach has the potential to serve as a global literacy tool.

Keywords: 3D text toys, creative, artistic, visual learning for world literacy

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2141 Cd1−xMnxSe Thin Films Preparation by Cbd: Aspect on Optical and Electrical Properties

Authors: Jaiprakash Dargad

Abstract:

CdMnSe dilute semiconductor or semimagnetic semiconductors have become the focus of intense research due to their interesting combination of magnetic and semiconducting properties, and are employed in a variety of devices including solar cells, gas sensors etc. A series of thin films of this material, Cd1−xMnxSe (0 ≤ x ≤ 0.5), were therefore synthesized onto precleaned amorphous glass substrates using a solution growth technique. The sources of cadmium (Cd2+) and manganese (Mn2+) were aqueous solutions of cadmium sulphate and manganese sulphate, and selenium (Se2−) was extracted from a reflux of sodium selenosulphite. The different deposition parameters such as temperature, time of deposition, speed of mechanical churning, pH of the reaction mixture etc were optimized to yield good quality deposits. The as-grown samples were thin, relatively uniform, smooth and tightly adherent to the substrate support. The colour of the deposits changed from deep red-orange to yellowish-orange as the composition parameter, x, was varied from 0 to 0.5. The terminal layer thickness decreased with increasing value of, x. The optical energy gap decreased from 1.84 eV to 1.34 eV for the change of x from 0 to 0.5. The coefficient of optical absorption is of the order of 10-4 - 10-5 cm−1 and the type of transition (m = 0.5) is of the band-to-band direct type. The dc electrical conductivities were measured at room temperature and in the temperature range 300 K - 500 K. It was observed that the room temperature electrical conductivity increased with the composition parameter x up to 0.1, gradually decreasing thereafter. The thermo power measurements showed n-type conduction in these films.

Keywords: dilute semiconductor, reflux, CBD, thin film

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2140 The Effects of Native Forests Conservation and Preservation Scenarios on Two Chilean Basins Water Cycle, under Climate Change Conditions

Authors: Hernández Marieta, Aguayo Mauricio, Pedreros María, Llompart Ovidio

Abstract:

The hydrological cycle is influenced by multiple factors, including climate change, land use changes, and anthropogenic activities, all of which threaten water availability and quality worldwide. In recent decades, numerous investigations have used landscape metrics and hydrological modeling to demonstrate the influence of landscape patterns on the hydrological cycle components' natural dynamics. Many of these investigations have determined the repercussions on the quality and availability of water, sedimentation, and erosion regime, mainly in Asian basins. In fact, there is progress in this branch of science, but there are still unanswered questions for our region. This study examines the hydrological response in Chilean basins under various land use change scenarios (LUCC) and the influence of climate change. The components of the water cycle were modeled using a physically distributed type hydrological and hydraulic simulation model based on and oriented to mountain basins TETIS model. Future climate data were derived from Chilean regional simulations using the WRF-MIROC5 model, forced with the RCP 8.5 scenario, at a 25 km resolution for the periods 2030-2060 and 2061-2091. LUCC scenarios were designed based on nature-based solutions, landscape pattern influences, current national and international water conservation legislation, and extreme scenarios of non-preservation and conservation of native forests. The scenarios that demonstrate greater water availability, even under climate change, are those promoting the restoration of native forests in over 30% of the basins, even alongside agricultural activities. Current legislation promoting the restoration of native forests only in riparian zones (30-60 m or 200 m in steeper areas) will not be resilient enough to address future water shortages. Evapotranspiration, direct runoff, and water availability at basin outlets showed the greatest variations due to LUCC. The relationship between hydrological modeling and landscape configuration is an effective tool for establishing future territorial planning that prioritizes water resource protection.

Keywords: TETIS, landscape pattern, hydrological process, water availability, Chilean basins

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2139 Computer-Aided Drug Repurposing for Mycobacterium Tuberculosis by Targeting Tryptophanyl-tRNA Synthetase

Authors: Neslihan Demirci, Serdar Durdağı

Abstract:

Mycobacterium tuberculosis is still a worldwide disease-causing agent that, according to WHO, led to the death of 1.5 million people from tuberculosis (TB) in 2020. The bacteria reside in macrophages located specifically in the lung. There is a known quadruple drug therapy regimen for TB consisting of isoniazid (INH), rifampin (RIF), pyrazinamide (PZA), and ethambutol (EMB). Over the past 60 years, there have been great contributions to treatment options, such as recently approved delamanid (OPC67683) and bedaquiline (TMC207/R207910), targeting mycolic acid and ATP synthesis, respectively. Also, there are natural compounds that can block the tryptophanyl-tRNA synthetase (TrpRS) enzyme, chuangxinmycin, and indolmycin. Yet, already the drug resistance is reported for those agents. In this study, the newly released TrpRS enzyme structure is investigated for potential inhibitor drugs from already synthesized molecules to help the treatment of resistant cases and to propose an alternative drug for the quadruple drug therapy of tuberculosis. Maestro, Schrodinger is used for docking and molecular dynamic simulations. In-house library containing ~8000 compounds among FDA-approved indole-containing compounds, a total of 57 obtained from the ChemBL were used for both ATP and tryptophan binding pocket docking. Best of indole-containing 57 compounds were subjected to hit expansion and compared later with virtual screening workflow (VSW) results. After docking, VSW was done. Glide-XP docking algorithm was chosen. When compared, VSW alone performed better than the hit expansion module. Best scored compounds were kept for ten ns molecular dynamic simulations by Desmond. Further, 100 ns molecular dynamic simulation was performed for elected molecules according to Z-score. The top three MMGBSA-scored compounds were subjected to steered molecular dynamic (SMD) simulations by Gromacs. While SMD simulations are still being conducted, ponesimod (for multiple sclerosis), vilanterol (β₂ adrenoreceptor agonist), and silodosin (for benign prostatic hyperplasia) were found to have a significant affinity for tuberculosis TrpRS, which is the propulsive force for the urge to expand the research with in vitro studies. Interestingly, top-scored ponesimod has been reported to have a side effect that makes the patient prone to upper respiratory tract infections.

Keywords: drug repurposing, molecular dynamics, tryptophanyl-tRNA synthetase, tuberculosis

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2138 A Risk-Based Approach to Construction Management

Authors: Chloe E. Edwards, Yasaman Shahtaheri

Abstract:

Risk management plays a fundamental role in project planning and delivery. The purpose of incorporating risk management into project management practices is to identify and address uncertainties related to key project-related activities. The uncertainties, known as risk events, can relate to project deliverables that are quantifiable and are often measured by impact to project schedule, cost, or environmental impact. Risk management should be incorporated as an iterative practice throughout the planning, execution, and commissioning phases of a project. This paper specifically examines how risk management contributes to effective project planning and delivery through a case study of a transportation project. This case study focused solely on impacts to project schedule regarding three milestones: readiness for delivery, readiness for testing and commissioning, and completion of the facility. The case study followed the ISO 31000: Risk Management – Guidelines. The key factors that are outlined by these guidelines include understanding the scope and context of the project, conducting a risk assessment including identification, analysis, and evaluation, and lastly, risk treatment through mitigation measures. This process requires continuous consultation with subject matter experts and monitoring to iteratively update the risks accordingly. The risk identification process led to a total of fourteen risks related to design, permitting, construction, and commissioning. The analysis involved running 1,000 Monte Carlo simulations through @RISK 8.0 Industrial software to determine potential milestone completion dates based on the project baseline schedule. These dates include the best case, most likely case, and worst case to provide an estimated delay for each milestone. Evaluation of these results provided insight into which risks were the highest contributors to the projected milestone completion dates. Based on the analysis results, the risk management team was able to provide recommendations for mitigation measures to reduce the likelihood of risks occurring. The risk management team also provided recommendations for managing the identified risks and project activities moving forward to meet the most likely or best-case milestone completion dates.

Keywords: construction management, monte carlo simulation, project delivery, risk assessment, transportation engineering

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2137 First and Second Analysis on the Reheat Organic Rankine Cycle

Authors: E. Moradimaram, H. Sayehvand

Abstract:

In recent years the increasing use of fossil fuels has led to various environmental problems including urban pollution, ozone layer depletion and acid rains. Moreover, with the increased number of industrial centers and higher consumption of these fuels, the end point of the fossil energy reserves has become more evident. Considering the environmental pollution caused by fossil fuels and their limited availability, renewable sources can be considered as the main substitute for non-renewable resources. One of these resources is the Organic Rankine Cycles (ORCs). These cycles while having high safety, have low maintenance requirements. Combining the ORCs with other systems, such as ejector and reheater will increase overall cycle efficiency. In this study, ejector and reheater are used to improve the thermal efficiency (ηth), exergy efficiency (η_ex) and net output power (w_net); therefore, the ORCs with reheater (RORCs) are proposed. A computational program has been developed to calculate the thermodynamic parameters required in Engineering Equations Solver (EES). In this program, the analysis of the first and second law in RORC is conducted, and a comparison is made between them and the ORCs with Ejector (EORC). R245fa is selected as the working fluid and water is chosen as low temperature heat source with a temperature of 95 °C and a mass transfer rate of 1 kg/s. The pressures of the second evaporator and reheater are optimized in terms of maximum exergy efficiency. The environment is at 298.15 k and at 101.325 kpa. The results indicate that the thermodynamic parameters in the RORC have improved compared to EORC.

Keywords: Organic Rankine Cycle (ORC), Organic Rankine Cycle with Reheater (RORC), Organic Rankine Cycle with Ejector (EORC), exergy efficiency

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2136 Solid Waste Landfilling Practices, Related Problems and Sustainable Solutions in Turkey

Authors: Nükhet Konuk, N. Gamze Turan, Yüksel Ardalı

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Solid waste management is the most environmental problem in Turkey as a result of the rapid increase in solid waste generation caused by the rapid population growth, urbanization, rapid industrialization and economic development. The large quantity of waste generated necessitates system of collection, transportation and disposal. The landfill method for the ultimate disposal of solid waste continues to be widely accepted and used due to its economic advantages. In Turkey, most of the disposal sites open dump areas. Open dump sites may result in serious urban, sanitary and environmental problems such as an unpleasant odor and the risk of explosion as well as groundwater contamination because of leachate percolation. Unsuitable management practices also result in the loss of resources and energy, which could be recycled and produced from a large part of the solid waste. Therefore, over the past few decades, particular attention has been drawn to the sustainable solid waste management as a response to the increase in environmental problems related to the disposal of waste. The objective of this paper is to assess the situation of landfilling practices in Turkey as a developing country and to identify any gaps in the system as currently applied. The results show that approximately 25 million tons of MSW are generated annually in Turkey. The percentage of MSW disposed to sanitary landfill is only 45% whereas more than 50% of MSW is disposed without any control.

Keywords: developing countries, open dumping, solid waste management, sustainable landfilling, sustainable solid waste management

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2135 Device for Mechanical Fragmentation of Organic Substrates Before Methane Fermentation

Authors: Marcin Zieliński, Marcin Dębowski, Mirosław Krzemieniewski

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This publication presents a device designed for mechanical fragmentation of plant substrate before methane fermentation. The device is equipped with a perforated rotary cylindrical drum coated with a thermal layer, connected to a substrate feeder and driven by a motoreducer. The drum contains ball- or cylinder-shaped weights of different diameters, while its interior is mounted with lateral permanent magnets with an attractive force ranging from 100 kg to 2 tonnes per m2 of the surface. Over the perforated rotary drum, an infrared radiation generator is mounted, producing 0.2 kW to 1 kW of infrared radiation per 1 m2 of the perforated drum surface. This design reduces the energy consumption required for the biomass destruction process by 10-30% in comparison to the conventional ball mill. The magnetic field generated by the permanent magnets situated within the perforated rotary drum promotes this process through generation of free radicals that act as powerful oxidants, accelerating the decomposition rate. Plant substrate shows increased susceptibility to biodegradation when subjected to magnetic conditioning, reducing the time required for biomethanation by 25%. Additionally, the electromagnetic radiation generated by the radiator improves substrate destruction by 10% and the efficiency of the process. The magnetic field and the infrared radiation contribute synergically to the increased efficiency of destruction and conversion of the substrate.

Keywords: biomass pretreatment, mechanical fragmentation, biomass, methane fermentation

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2134 Harmonic Mitigation and Total Harmonic Distortion Reduction in Grid-Connected PV Systems: A Case Study Using Real-Time Data and Filtering Techniques

Authors: Atena Tazikeh Lemeski, Ismail Ozdamar

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This study presents a detailed analysis of harmonic distortion in a grid-connected photovoltaic (PV) system using real-time data captured from a solar power plant. Harmonics introduced by inverters in PV systems can degrade power quality and lead to increased Total Harmonic Distortion (THD), which poses challenges such as transformer overheating, increased power losses, and potential grid instability. This research addresses these issues by applying Fast Fourier Transform (FFT) to identify significant harmonic components and employing notch filters to target specific frequencies, particularly the 3rd harmonic (150 Hz), which was identified as the largest contributor to THD. Initial analysis of the unfiltered voltage signal revealed a THD of 21.15%, with prominent harmonic peaks at 150 Hz, 250 Hz and 350 Hz, corresponding to the 3rd, 5th, and 7th harmonics, respectively. After implementing the notch filters, the THD was reduced to 5.72%, demonstrating the effectiveness of this approach in mitigating harmonic distortion without affecting the fundamental frequency. This paper provides practical insights into the application of real-time filtering techniques in PV systems and their role in improving overall grid stability and power quality. The results indicate that targeted harmonic mitigation is crucial for the sustainable integration of renewable energy sources into modern electrical grids.

Keywords: grid-connected photovoltaic systems, fast Fourier transform, harmonic filtering, inverter-induced harmonics

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2133 Relationship between Institutional Perspective and Safety Performance: A Case on Ready-Made Garments Manufacturing Industry

Authors: Fahad Ibrahim, Raphaël Akamavi

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Bangladesh has encountered several industrial disasters (e.g. fire and building collapse tragedies) leading to the loss of valuable human lives. Irrespective of various institutions’ making effort to improve the safety situation, industry compliance and safety behaviour have not yet been improved. Hence, one question remains, to what extent does the institutional elements efficient enough to make any difference in improving safety behaviours? Thus, this study explores the relationship between institutional perspective and safety performance. Structural equation modelling results, using survey data from 256 RMG workers’ of 128 garments manufacturing factories in Bangladesh, show that institutional facets strongly influence management safety commitment to induce workers participation in safety activities and reduce workplace accident rates. The study also found that by upholding industrial standards and inspecting the safety situations, institutions facets significantly and directly affect workers involvement in safety participations and rate of workplace accidents. Additionally, workers involvement to safety practices significantly predicts the safety environment of the workplace. Subsequently, our findings demonstrate that institutional culture, norms, and regulations enact play an important role in altering management commitment to set-up a safer workplace environment. As a result, when workers’ perceive their management having high level of commitment to safety, they are inspired to be involved more in the safety practices, which significantly alter the workplace safety situation and lessen injury experiences. Due to the fact that institutions have strong influence on management commitment, legislative members should endorse, regulate, and strictly monitor workplace safety laws to be exercised by the factory owners. Further, management should take initiatives for adopting OHS features and conceive strategic directions (i.e., set up safety committees, risk assessments, innovative training) for promoting a positive safety climate to provide a safe workplace environment. Arguably, an inclusive public-private partnership is recommended for ensuring better and safer workplace for RMG workers. However, as our data were under a cross-sectional design; the respondents’ perceptions might get changed over a period of time and hence, a longitudinal study is recommended. Finally, further research is needed to determine the impact of improvement mechanisms on workplace safety performance, such as how workplace design, safety training programs, and institutional enforcement policies protect the well-being of workers.

Keywords: institutional perspective, management commitment, safety participation, work injury, safety performance, occupational health and safety

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2132 Understanding the Influence of Fibre Meander on the Tensile Properties of Advanced Composite Laminates

Authors: Gaoyang Meng, Philip Harrison

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When manufacturing composite laminates, the fibre directions within the laminate are never perfectly straight and inevitably contain some degree of stochastic in-plane waviness or ‘meandering’. In this work we aim to understand the relationship between the degree of meandering of the fibre paths, and the resulting uncertainty in the laminate’s final mechanical properties. To do this, a numerical tool is developed to automatically generate meandering fibre paths in each of the laminate's 8 plies (using Matlab) and after mapping this information into finite element simulations (using Abaqus), the statistical variability of the tensile mechanical properties of a [45°/90°/-45°/0°]s carbon/epoxy (IM7/8552) laminate is predicted. The stiffness, first ply failure strength and ultimate failure strength are obtained. Results are generated by inputting the degree of variability in the fibre paths and the laminate is then examined in all directions (from 0° to 359° in increments of 1°). The resulting predictions are output as flower (polar) plots for convenient analysis. The average fibre orientation of each ply in a given laminate is determined by the laminate layup code [45°/90°/-45°/0°]s. However, in each case, the plies contain increasingly large amounts of in-plane waviness (quantified by the standard deviation of the fibre direction in each ply across the laminate. Four different amounts of variability in the fibre direction are tested (2°, 4°, 6° and 8°). Results show that both the average tensile stiffness and the average tensile strength decrease, while the standard deviations increase, with an increasing degree of fibre meander. The variability in stiffness is found to be relatively insensitive to the rotation angle, but the variability in strength is sensitive. Specifically, the uncertainty in laminate strength is relatively low at orientations centred around multiples of 45° rotation angle, and relatively high between these rotation angles. To concisely represent all the information contained in the various polar plots, rotation-angle dependent Weibull distribution equations are fitted to the data. The resulting equations can be used to quickly estimate the size of the errors bars for the different mechanical properties, resulting from the amount of fibre directional variability contained within the laminate. A longer term goal is to use these equations to quickly introduce realistic variability at the component level.

Keywords: advanced composite laminates, FE simulation, in-plane waviness, tensile properties, uncertainty quantification

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2131 Awareness regarding Radiation Protection among the Technicians Practicing in Bharatpur, Chitwan, Nepal

Authors: Jayanti Gyawali, Deepak Adhikari, Mukesh Mallik, Sanjay Sah

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Radiation is defined as an emission or transmission of energy in form of waves or particles through space or material medium. The major imaging tools used in diagnostic radiology is based on the use of ionizing radiation. A cross-sectional study was carried out during July- August, 2015 among technicians in 15 different hospitals of Bharatpur, Chitwan, Nepal to assess awareness regarding radiation protection and their current practice. The researcher was directly engaged for data collection using self-administered semi-structured questionnaire. The findings of the study are presented in socio-demographic characteristics of respondents, current practice of respondents and knowledge regarding radiation protection. The result of this study demonstrated that despite the importance of radiation and its consequent hazards, the level of knowledge among technicians is only 60.23% and their current practice is 76.84%. The difference in the mean score of knowledge and practice might have resulted due to technicians’s regular work and lack of updates. The study also revealed that there is no significant (p>0.05) difference in knowledge level of technicians practicing in different hospitals. But the mean difference in practice scores of different hospital is significant (p<0.05) i.e. i.e. the cancer hospital with large volumes of regular radiological cases and radiation therapies for cancer treatment has better practice in comparison to other hospitals. The deficiency in knowledge of technicians might alter the expected benefits, compared to the risk involved, and can cause erroneous medical diagnosis and radiation hazard. Therefore, this study emphasizes the need for all technicians to update themselves with the appropriate knowledge and current practice about ionizing and non-ionizing radiation.

Keywords: technicians, knowledge, Nepal, radiation

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2130 Kinetic and Removable of Amoxicillin Using Aliquat336 as a Carrier via a HFSLM

Authors: Teerapon Pirom, Ura Pancharoen

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Amoxicillin is an antibiotic which is widely used to treat various infections in both human beings and animals. However, when amoxicillin is released into the environment, it is a major problem. Amoxicillin causes bacterial resistance to these drugs and failure of treatment with antibiotics. Liquid membrane is of great interest as a promising method for the separation and recovery of the target ions from aqueous solutions due to the use of carriers for the transport mechanism, resulting in highly selectivity and rapid transportation of the desired metal ions. The simultaneous processes of extraction and stripping in a single unit operation of liquid membrane system are very interesting. Therefore, it is practical to apply liquid membrane, particularly the HFSLM for industrial applications as HFSLM is proved to be a separation process with lower capital and operating costs, low energy and extractant with long life time, high selectivity and high fluxes compared with solid membranes. It is a simple design amenable to scaling up for industrial applications. The extraction and recovery for (Amoxicillin) through the hollow fiber supported liquid membrane (HFSLM) using aliquat336 as a carrier were explored with the experimental data. The important variables affecting on transport of amoxicillin viz. extractant concentration and operating time were investigated. The highest AMOX- extraction percentages of 85.35 and Amoxicillin stripping of 80.04 were achieved with the best condition at 6 mmol/L [aliquat336] and operating time 100 min. The extraction reaction order (n) and the extraction reaction rate constant (kf) were found to be 1.00 and 0.0344 min-1, respectively.

Keywords: aliquat336, amoxicillin, HFSLM, kinetic

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2129 Socio-Economic and Psychological Factors of Moscow Population Deviant Behavior: Sociological and Statistical Research

Authors: V. Bezverbny

Abstract:

The actuality of the project deals with stable growing of deviant behavior’ statistics among Moscow citizens. During the recent years the socioeconomic health, wealth and life expectation of Moscow residents is regularly growing up, but the limits of crime and drug addiction have grown up seriously. Another serious Moscow problem has been economical stratification of population. The cost of identical residential areas differs at 2.5 times. The project is aimed at complex research and the development of methodology for main factors and reasons evaluation of deviant behavior growing in Moscow. The main project objective is finding out the links between the urban environment quality and dynamics of citizens’ deviant behavior in regional and municipal aspect using the statistical research methods and GIS modeling. The conducted research allowed: 1) to evaluate the dynamics of deviant behavior in Moscow different administrative districts; 2) to describe the reasons of crime increasing, drugs addiction, alcoholism, suicides tendencies among the city population; 3) to develop the city districts classification based on the level of the crime rate; 4) to create the statistical database containing the main indicators of Moscow population deviant behavior in 2010-2015 including information regarding crime level, alcoholism, drug addiction, suicides; 5) to present statistical indicators that characterize the dynamics of Moscow population deviant behavior in condition of expanding the city territory; 6) to analyze the main sociological theories and factors of deviant behavior for concretization the deviation types; 7) to consider the main theoretical statements of the city sociology devoted to the reasons for deviant behavior in megalopolis conditions. To explore the level of deviant behavior’ factors differentiation, the questionnaire was worked out, and sociological survey involved more than 1000 people from different districts of the city was conducted. Sociological survey allowed to study the socio-economical and psychological factors of deviant behavior. It also included the Moscow residents’ open-ended answers regarding the most actual problems in their districts and reasons of wish to leave their place. The results of sociological survey lead to the conclusion that the main factors of deviant behavior in Moscow are high level of social inequality, large number of illegal migrants and bums, nearness of large transport hubs and stations on the territory, ineffective work of police, alcohol availability and drug accessibility, low level of psychological comfort for Moscow citizens, large number of building projects.

Keywords: deviant behavior, megapolis, Moscow, urban environment, social stratification

Procedia PDF Downloads 193
2128 Synthesis and Tribological Properties of the Al-Cr-N/MoS₂ Self-Lubricating Coatings by Hybrid Magnetron Sputtering

Authors: Tie-Gang Wang, De-Qiang Meng, Yan-Mei Liu

Abstract:

Ternary AlCrN coatings were widely used to prolong cutting tool life because of their high hardness and excellent abrasion resistance. However, the friction between the workpiece and cutter surface was increased remarkably during machining difficult-to-cut materials (such as superalloy, titanium, etc.). As a result, a lot of cutting heat was generated and cutting tool life was shortened. In this work, an appropriate amount of solid lubricant MoS₂ was added into the AlCrN coating to reduce the friction between the tool and the workpiece. A series of Al-Cr-N/MoS₂ self-lubricating coatings with different MoS₂ contents were prepared by high power impulse magnetron sputtering (HiPIMS) and pulsed direct current magnetron sputtering (Pulsed DC) compound system. The MoS₂ content in the coatings was changed by adjusting the sputtering power of the MoS₂ target. The composition, structure and mechanical properties of the Al-Cr-N/MoS2 coatings were systematically evaluated by energy dispersive spectrometer, scanning electron microscopy, X-ray photoelectron spectroscopy, X-ray diffractometer, nano-indenter tester, scratch tester, and ball-on-disk tribometer. The results indicated the lubricant content played an important role in the coating properties. As the sputtering power of the MoS₂ target was 0.1 kW, the coating possessed the highest hardness 14.1GPa, the highest critical load 44.8 N, and the lowest wear rate 4.4×10−3μm2/N.

Keywords: self-lubricating coating, Al-Cr-N/MoS₂ coating, wear rate, friction coefficient

Procedia PDF Downloads 132
2127 Analytical Determination of Electromechanical Coupling Effects on Interlaminar Stresses of Generally Laminated Piezoelectric Plates

Authors: Atieh Andakhshideh, S. Maleki, Sayed Sadegh Marashi

Abstract:

In this paper, the interlaminar stresses of generally laminated piezoelectric plates are presented. The electromechanical coupling effect of the piezoelectric plate is considered and the governing equations and boundary conditions are derived using the principle of minimum total potential energy. The solution procedure is a three-dimensional multi-term extended Kantorovich method (3DMTEKM). The objective of this paper is to accurately study coupling influence on the edge effects of piezolaminated plates with finite dimensions, arbitrary lamination lay-ups and under uniform axial strain. These results can provide a benchmark for checking the accuracy of the other numerical method or two-dimensional laminate theories. To verify the accuracy of the 3DMTEKM, first examples are simplified to special cases such as cross-ply or symmetric laminations and are compared with other analytical solutions available in the literature. Excellent agreement is achieved in validation test and other numerical results are presented for general cases. Numerical examples indicate the singular behavior of interlaminar normal/shear stresses and electric field strength components near the edges of the piezolaminated plates. The coupling influence on the free edge effect with respect to lamination lay-ups of piezoelectric plate is studied in several examples.

Keywords: electromechanical coupling, generally laminated piezoelectric plates, Kantorovich method, edge effect, interlaminar stresses

Procedia PDF Downloads 148
2126 Analysis of Two-Phase Flow Instabilities in Conventional Channel of Nuclear Power Reactor

Authors: M. Abdur Rashid Sarkar, Riffat Mahmud

Abstract:

Boiling heat transfer plays a crucial role in cooling nuclear reactor for safe electricity generation. A two phase flow is susceptible to thermal-hydrodynamic instabilities, which may cause flow oscillations of constant amplitude or diverging amplitude. These oscillations may induce boiling crisis, disturb control systems, or cause mechanical damage. Based on their mechanisms, various types of instabilities can be classified for a nuclear reactor. From a practical engineering point of view one of the major design difficulties in dealing with multiphase flow is that the mass, momentum, and energy transfer rates and processes may be quite sensitive to the geometric configuration of the heat transfer surface. Moreover, the flow within each phase or component will clearly depend on that geometric configuration. The complexity of this two-way coupling presents a major challenge in the study of multiphase flows and there is much that remains to be done. Yet, the parametric effects on flow instability such as the effect of aspect ratio, pressure drop, channel length, its orientation inlet subcooling and surface roughness etc. have been analyzed. Another frequently occurring instability, known as the Kelvin–Helmholtz instability has been briefly reviewed. Various analytical techniques for predicting parametric effect on the instability are analyzed in terms of their applicability and accuracy.

Keywords: two phase flows, boiling crisis, thermal-hydrodynamic instabilities, water cooled nuclear reactors, kelvin–helmholtz instability

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2125 Impact of Climate on Productivity of Major Cereal Crops in Sokoto State, Nigeria

Authors: M. B. Sokoto, L. Tanko, Y. M. Abdullahi

Abstract:

The study aimed at examining the impact of climatic factors (rainfall, minimum and maximum temperature) on the productivity of major cereals in Sokoto state, Nigeria. Secondary data from 1997-2008 were used in respect of annual yield of Major cereals crops (maize, millet, rice, and sorghum (t ha-1). Data in respect of climate was collected from Sokoto Energy Research Centre (SERC) for the period under review. Data collected was analyzed using descriptive statistics, correlation and regression analysis. The result of the research reveals that there is variation in the trend of the climatic factors and also variation in cereals output. The effect of average temperature on yields has a negative effect on crop yields. Similarly, rainfall is not significant in explaining the effect of climate on cereal crops production. The study has revealed to some extend the effect of climatic variables, such as rainfall, relative humidity, maximum and minimum temperature on major cereals production in Sokoto State. This will assist in planning ahead in cereals production in the area. Other factors such as soil fertility, correct timing of planting and good cultural practices (such as spacing of strands), protection of crops from weeds, pests and diseases and planting of high yielding varieties should also be taken into consideration for increase yield of cereals.

Keywords: cereals, climate, impact, major, productivity

Procedia PDF Downloads 390
2124 Hydrodeoxygenation of Furfural over RU Sub-Nano Particles Supported on Al₂O₃-SIO₂ Mixed Oxides

Authors: Chaima Zoulikha Tabet Zatla, Nihel Dib, Sumeya Bedrane, Juan Carlos Hernandez Garrido, Redouane Bachir, Miguel Angel Cauqui, Jose Juan Calvino Gamez

Abstract:

These last year's our planet has witnessed global warming, which is a serious threat to our lives; it has many causes, such as the CO₂ excess in the atmosphere that results from our activity, for the purpose of living in a neater and better environment, working and improving an eco-responsible energy system is a must. Valorization of biomass to produce biofuels is among the most compelling routes to decrease air pollution without considerable modification in current vehicle technology. Effective transformation of lignocellulosic biomass-derived compounds into liquid fuels and value-added chemicals is an economically viable solution. Presently, very competitive technics for the conversion of lignocellulosic biomass into platform chemicals, such as furfural and Hydroxymethylfurfural (HMF), are used. Furfural (C₅H₄O₂) is a major hemi cellulosic biomass-derived platform molecule. In our work, we focus on the valorization of lignocellulosic biomass derivative furfural that is transformed into biofuel through a hydrodeoxygenation reaction in general and involving a catalytic process. In order to get to this point, we are synthesizing and characterizing a series of catalysts with different amounts of Ru (0.5%, 1% and 2%) supported on alumina-silica mixed oxides with various molar ratios (Si/Al = 2.5; 5; 7; 10; 15). These catalysts will be characterized by numerous technics such as N₂ adsorption/desorption, Pyridine adsorption (acidity measure), FTIR, X-rays diffraction, AAS, TEM and SEM.

Keywords: furfural, ruthenium, silica-alumina, biomass, biofuel

Procedia PDF Downloads 84
2123 An Empirical Assessment of Indoor Environmental Quality in Developing Sub-Saharan Countries: Evaluation of Existing Gaps and Potential Risk

Authors: Jean-Paul Kapuya Bulaba Nyembwe, John Omomoluwa Ogundiran, Manuel Carlos Gameiro da Silva

Abstract:

Indoor environmental quality (IEQ) remains a global concern because it impacts people's comfort, health, performance, and general well-being. People spend a significant amount of time in buildings or while commuting, hence ensuring the minimal risk in indoor spaces by ensuring suitable IEQ. IEQ studies are limited regarding developing sub-Saharan countries, whereas there is also a huge risk and concern for the current population and geometric growth as many cities in the region will become mega-cities by 2040 (World Bank report). The absence of suitable IEQ regulations and energy poverty are reasons to assess the IEQ gaps for increased awareness of sustainable interventions to minimize the associated risk. This study evaluates the gaps and potential hazards that exist in the IEQ of sub-Saharan countries using empirical studies of hospital occupants and BRT bus passengers and drivers. The Surveys were conducted in 3 cities of the Democratic Republic of Congo and Lagos metropolis of Nigeria. The results suggest that gaps exist in IEQ for these regions. The gaps indicate existential risk to people’s health, comfort, and well-being. The inferential conclusions are that there is a need for further scientific studies, improvement in IEQ conditions, and ensuring suitable regulations for developing sub-Saharan countries.

Keywords: health hazards, hospitals indoor environmental quality, indoor spaces, occupants, sub-Saharan countries, vehicles

Procedia PDF Downloads 71
2122 Fast Generation of High-Performance Driveshafts: A Digital Approach to Automated Linked Topology and Design Optimization

Authors: Willi Zschiebsch, Alrik Dargel, Sebastian Spitzer, Philipp Johst, Robert Böhm, Niels Modler

Abstract:

In this article, we investigate an approach that digitally links individual development process steps by using the drive shaft of an aircraft engine as a representative example of a fiber polymer composite. Such high-performance, lightweight composite structures have many adjustable parameters that influence the mechanical properties. Only a combination of optimal parameter values can lead to energy efficient lightweight structures. The development tools required for the Engineering Design Process (EDP) are often isolated solutions, and their compatibility with each other is limited. A digital framework is presented in this study, which allows individual specialised tools to be linked via the generated data in such a way that automated optimization across programs becomes possible. This is demonstrated using the example of linking geometry generation with numerical structural analysis. The proposed digital framework for automated design optimization demonstrates the feasibility of developing a complete digital approach to design optimization. The methodology shows promising potential for achieving optimal solutions in terms of mass, material utilization, eigenfrequency, and deformation under lateral load with less development effort. The development of such a framework is an important step towards promoting a more efficient design approach that can lead to stable and balanced results.

Keywords: digital linked process, composite, CFRP, multi-objective, EDP, NSGA-2, NSGA-3, TPE

Procedia PDF Downloads 76
2121 Modeling and Simulating Drop Interactions in Spray Structure of High Torque Low Speed Diesel Engine

Authors: Rizwan Latif, Syed Adnan Qasim, Muzaffar Ali

Abstract:

Fuel direct injection represents one of the key aspects in the development of the diesel engines, the idea of controlling the auto-ignition and the consequent combustion of a liquid spray injected in a reacting atmosphere during a time scale of few milliseconds has been a challenging task for the engine community and pushed forward to a massive research in this field. The quality of the air-fuel mixture defines the combustion efficiency, and therefore the engine efficiency. A droplet interaction in dense as well as thin portion of the spray receives equal importance as other parameters in spray structure. Usually, these are modeled along with breakup process and analyzed alike. In this paper, droplet interaction is modeled and simulated for high torque low speed scenario. Droplet interactions may further be subdivided into droplet collision and coalescence, spray wall impingement, droplets drag, etc. Droplet collisions may occur in almost all spray applications, but especially in diesel like conditions such as high pressure sprays as utilized in combustion engines. These collisions have a strong influence on the mean droplet size and its spatial distribution and can, therefore, affect sub-processes of spray combustion such as mass, momentum and energy transfer between gas and droplets. Similarly, for high-pressure injection systems spray wall impingement is an inherent sub-process of mixture formation. However, its influence on combustion is in-explicit.

Keywords: droplet collision, coalescence, low speed, diesel fuel

Procedia PDF Downloads 236
2120 Improving Functionality of Radiotherapy Department Through: Systemic Periodic Clinical Audits

Authors: Kamal Kaushik, Trisha, Dandapni, Sambit Nanda, A. Mukherjee, S. Pradhan

Abstract:

INTRODUCTION: As complexity in radiotherapy practice and processes are increasing, there is a need to assure quality control to a greater extent. At present, no international literature available with regards to the optimal quality control indicators for radiotherapy; moreover, few clinical audits have been conducted in the field of radiotherapy. The primary aim is to improve the processes that directly impact clinical outcomes for patients in terms of patient safety and quality of care. PROCEDURE: A team of an Oncologist, a Medical Physicist and a Radiation Therapist was formed for weekly clinical audits of patient’s undergoing radiotherapy audits The stages for audits include Pre planning audits, Simulation, Planning, Daily QA, Implementation and Execution (with image guidance). Errors in all the parts of the chain were evaluated and recorded for the development of further departmental protocols for radiotherapy. EVALUATION: The errors at various stages of radiotherapy chain were evaluated and recorded for comparison before starting the clinical audits in the department of radiotherapy and after starting the audits. It was also evaluated to find the stage in which maximum errors were recorded. The clinical audits were used to structure standard protocols (in the form of checklist) in department of Radiotherapy, which may lead to further reduce the occurrences of clinical errors in the chain of radiotherapy. RESULTS: The aim of this study is to perform a comparison between number of errors in different part of RT chain in two groups (A- Before Audit and B-After Audit). Group A: 94 pts. (48 males,46 female), Total no. of errors in RT chain:19 (9 needed Resimulation) Group B: 94 pts. (61 males,33 females), Total no. of errors in RT chain: 8 (4 needed Resimulation) CONCLUSION: After systematic periodic clinical audits percentage of error in radiotherapy process reduced more than 50% within 2 months. There is a great need in improving quality control in radiotherapy, and the role of clinical audits can only grow. Although clinical audits are time-consuming and complex undertakings, the potential benefits in terms of identifying and rectifying errors in quality control procedures are potentially enormous. Radiotherapy being a chain of various process. There is always a probability of occurrence of error in any part of the chain which may further propagate in the chain till execution of treatment. Structuring departmental protocols and policies helps in reducing, if not completely eradicating occurrence of such incidents.

Keywords: audit, clinical, radiotherapy, improving functionality

Procedia PDF Downloads 88
2119 Tribological Response of Self-Mated Zircaloy-4 under Varying Conditions

Authors: Bharat Kumar, Deepak Kumar, Vijay Chaudhry

Abstract:

Zirconium alloys are widely used for the core components of a pressurized heavy water reactor (PHWR) or Canada deuterium (CANDU) reactor due to their low neutron absorption cross-section and excellent mechanical properties. The components made of Zirconium alloys are subjected to flow-induced vibrations, resulting in fretting wear at the interface of; pressure tubes and bearing pads, pressure tubes and calandria tubes, and calandria tubes and Liquid injection shutdown system (LISS) nozzles. There is a need to explore the tribological response under such conditions. Present work simulates the contact between calandria tube and LISS nozzle of PHWR/CANDU reactor as cylinder-on-cylinder contact configuration. Reciprocating tribo-tests were conducted on Zircaloy-4 (Zr-4) under the self-mated condition at varying amplitude, frequency, and sliding time. To understand the active wear mechanism, worn surfaces were analyzed using Scanning Electron Microscopy (SEM) and Energy Dispersive Spectroscopy (EDS). The change in amplitude severely affects the wear than other factors. The wear mechanism transits from adhesion to abrasion with increasing test amplitude. The dominant wear mechanisms are micro-cutting and micro-plowing followed by delamination in some areas. However, the coefficient of friction has indifferent behaviors.

Keywords: zircaloy-4, tribology, calandria tube, LISS nozzle, PHWR

Procedia PDF Downloads 209
2118 A Review on Application of Phase Change Materials in Textiles Finishing

Authors: Mazyar Ahrari, Ramin Khajavi, Mehdi Kamali Dolatabadi, Tayebeh Toliyat, Abosaeed Rashidi

Abstract:

Fabric as the first and most common layer that is in permanent contact with human skin is a very good interface to provide coverage, as well as heat and cold insulation. Phase change materials (PCMs) are organic and inorganic compounds which have the capability of absorbing and releasing noticeable amounts of latent heat during phase transitions between solid and liquid phases at a low temperature range. PCMs come across phase changes (liquid-solid and solid-liquid transitions) during absorbing and releasing thermal heat; so, in order to use them for a long time, they should have been encapsulated in polymeric shells, so-called microcapsules. Microencapsulation and nanoencapsulation methods have been developed in order to reduce the reactivity of a PCM with outside environment, promoting the ease of handling, decreasing the diffusion and evaporation rates. Methods of incorporation of PCMs in textiles such as electrospinning and determining thermal properties had been summarized. Paraffin waxes catch a lot of attention due to their high thermal storage density, repeatability of phase change, thermal stability, small volume change during phase transition, chemical stability, non-toxicity, non-flammability, non-corrosive and low cost and they seem to play a key role in confronting with climate change and global warming. In this article, we aimed to review the researches concentrating on the characteristics of PCMs and new materials and methods of microencapsulation.

Keywords: thermoregulation, microencapsulation, phase change materials, thermal energy storage, nanoencapsulation

Procedia PDF Downloads 388
2117 Coarse-Grained Molecular Simulations to Estimate Thermophysical Properties of Phase Equilibria

Authors: Hai Hoang, Thanh Xuan Nguyen Thi, Guillaume Galliero

Abstract:

Coarse-Grained (CG) molecular simulations have shown to be an efficient way to estimate thermophysical (static and dynamic) properties of fluids. Several strategies have been developed and reported in the literature for defining CG molecular models. Among them, those based on a top-down strategy (i.e. CG molecular models related to macroscopic observables), despite being heuristic, have increasingly gained attention. This is probably due to its simplicity in implementation and its ability to provide reasonable results for not only simple but also complex systems. Regarding simple Force-Fields associated with these CG molecular models, it has been found that the four parameters Mie chain model is one of the best compromises to describe thermophysical static properties (e.g. phase diagram, saturation pressure). However, parameterization procedures of these Mie-chain GC molecular models given in literature are generally insufficient to simultaneously provide static and dynamic (e.g. viscosity) properties. To deal with such situations, we have extended the corresponding states by using a quantity associated with the liquid viscosity. Results obtained from molecular simulations have shown that our approach is able to yield good estimates for both static and dynamic thermophysical properties for various real non-associating fluids. In addition, we will show that on simple (e.g. phase diagram, saturation pressure) and complex (e.g. thermodynamic response functions, thermodynamic energy potentials) static properties, results of our scheme generally provides improved results compared to existing approaches.

Keywords: coarse-grained model, mie potential, molecular simulations, thermophysical properties, phase equilibria

Procedia PDF Downloads 336