Search results for: computational materials

Authors: Khizir Mohd Ismail, Yu Jun Lim, Tshun Howe Yong

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The study of flow behavior in an enclosed volume using Computational Fluid Dynamics (CFD) has been around for decades. However, due to the knowledge limitation of adaptive grid methods, the flow in an enclosed volume near the moving wall using CFD is less explored. A CFD simulation of flow in an enclosed volume near a moving wall was demonstrated and studied by introducing a moving mesh method and was modeled with Unsteady Reynolds-Averaged Navier-Stokes (URANS) approach. A static enclosed volume with controlled opening size in the bottom was positioned against a moving, translational wall with sliding mesh features. Controlled variables such as smoothed, crevices and corrugated wall characteristics, the distance between the enclosed volume to the wall and the moving wall speed against the enclosed chamber were varied to understand how the flow behaves and reacts in between these two geometries. These model simulations were validated against experimental results and provided result confidence when the simulation had shown good agreement with the experimental data. This study had provided better insight into the flow behaving in an enclosed volume when various wall types in motion were introduced within the various distance between each other and create a potential opportunity of application which involves adaptive grid methods in CFD.

Keywords: moving wall, adaptive grid methods, CFD, moving mesh method

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Authors: M. Aruna

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Emphasis on the advancement of new materials and technology has been there for the past few decades. The global development towards using cheap and durable materials from renewable resources contributes to sustainable development. An experimental investigation of mechanical behaviour of sisal fiber-reinforced concrete is reported for making a suitable building material in terms of reinforcement. Fibre reinforced composite is one such material, which has reformed the concept of high strength. Sisal fibres are abundantly available in the hot areas. The sisal fiber has emerged as a reinforcing material for concretes, used in civil structures. In this work, properties such as hardness and tensile strength of sisal fibre reinforced cement composites with 6, 12, 18, and 24% by weight of sisal fibres were assessed. Sisal fiber reinforced cement composite slabs with long sisal fibers were manufactured using a cast hand layup technique. Mechanical response was measured under tension. The high energy absorption capacity of the developed composite system was reflected in high toughness values under tension respectively.

Keywords: sisal fibre, fiber-reinforced concrete, mechanical behaviour, composite materials

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Authors: Zwalnan Selfa Johnson, Caleb Nanchen Nimyel, Gideon Duvuna Ayuba

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Air conditioning accounts for a significant share of the overall energy consumed in residential buildings. Solar thermal gains in buildings account for a significant component of the air conditioning load in buildings. This study compares the solar thermal gain and air conditioning load of a proposed building design with a typical conventional building in the climatic conditions of Jos, Nigeria, using a combined experimental and computational method using TRNSYS software. According to the findings of this study, the proposed design building's annual average solar thermal gains are lower compared to the reference building's average solar heat gains. The study case building's decreased solar heat gain is mostly attributable to the lower temperature of the building zones because of the greater building volume and lower fenestration ratio (ratio external opening area to the area of the external walls). This result shows that the proposed building design adjusts to the local climate better than the standard conventional construction in Jos to maintain a suitable temperature within the building. This finding means that the air-conditioning electrical energy consumption per volume of the proposed building design will be lower than that of a conventional building design.

Keywords: solar heat gain, building zone, cooling energy, air conditioning, zone temperature

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Authors: Ryu Wonjin, Choi Hyeok, Park Joonhong

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Overlay welding for improving surface properties is a method of the surface treatments which improve surface properties of material by welding materials of alloy having corrosion resistance on the basic material surface. Overlay welding affects contents of chemical components and weld hardness from different parts by dilution of the lamination layer thickness, and it determines surface properties. Therefore, overlay welding has to take into account thickness of the lamination layers with the process. As a result in this study examined contents of Fe, weldability of the base metal and monel materials, hardness and surface flatness from different parts according to each the lamination layer parameters by overlay welding monel materials with corrosion resources to the base material of carbon steel. Through this, evaluated effect by the lamination layer parameters of welding and presented decision methods of the lamination layer parameters of the overlay welding by the purpose of use.

Keywords: clad pipe, lamination layer parameters, monel, overlay welding

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Authors: Harkaranjit Singh, Arun Kumar

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Depletion of natural resources is a common phenomenon in developing countries like India due to rapid urbanization and industrialization involving construction of infrastructure and other amenities. In view of this, people have started searching for suitable other viable alternative materials for concrete so that the existing natural resources could be preserved to the possible extent for the future generation. In this process, different industrial waste materials such as fly ash, blast furnace slag, quarry dust, tile waste, bricks, broken glass waste, waste aggregate from demolition of structures, ceramic insulator waste, etc. have been tried as a viable substitute material to the conventional materials in concrete and has also been succeeded. This paper describes the studies conducted on strength characteristics of concrete made with utilizing of crushed tiles as a coarse aggregate. The waste crushed tiles can be used as coarse aggregates with the replacement ratio of 0, 50, 75 and 100% were used. Mechanical and physical tests were conducted on specimens. It was found that, the concrete made of waste ceramic tile aggregate produced more strength in compression, and flexure.

Keywords: compressive strength, flexural strength, waste crushed tile, concrete

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Authors: Muhanad Al-Jubouri

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A local scour is the most important of the several scours impacting bridge performance and security. Even though scour is widespread in bridges, especially during flood seasons, the experimental tests could not be applied to many standard highway bridges. A computational fluid dynamics numerical model was used to solve the problem of calculating local scouring and deposition for non-cohesive silt and clear water conditions near single and double cylindrical piers with the effect of floating debris. When FLOW-3D software is employed with the Rang turbulence model, the Nilsson bed-load transfer equation and fine mesh size are considered. The numerical findings of single cylindrical piers correspond pretty well with the physical model's results. Furthermore, after parameter effectiveness investigates the range of outcomes based on predicted user inputs such as the bed-load equation, mesh cell size, and turbulence model, the final numerical predictions are compared to experimental data. When the findings are compared, the error rate for the deepest point of the scour is equivalent to 3.8% for the single pier example.

Keywords: local scouring, non-cohesive, clear water, computational fluid dynamics, turbulence model, bed-load equation, debris

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Authors: A. Khodadadi, Hasani, Salehi

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The advantages of using modified asphalt binders are widely recognized—primarily, improved rutting resistance, reduced fatigue cracking and less cold-temperature cracking. Nanoclays are known to enhance the properties of many polymers. Nanoclays are used to improve modulus and tensile strength, flame resistance and thermal and structural properties of many materials. This paper intends to investigate the application and development of nano-technological concepts for bituminous materials and asphalt pavements. The application of nano clay on the fatigue life of asphalt pavement have not been yet thoroughly understood. In this research, two type of highway asphalt materials, dense Marshall specimens, with 2% nano clay and without nano clay, were employed for the fatigue behavior of the asphalt pavement.The effect of nano additive on the performance of flexible pavements has been investigated through the indirect tensile test for the samples prepared with 2% nano clay and without nano clay in four stress levels from 200–500 kPa. The primary results indicated samples with 2% nano clay have almost double or even more fatigue life in most of stress levels.

Keywords: Nano clay, Asphalt, fatigue life, pavement

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Authors: Cesar Augusto Hoil Rosas, José Luis Vázquez Burgos, José Juan Carbajal Hernandez

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White fish (Chirostoma estor estor) is an endemic species that habits in the Patzcuaro Lake, located in Michoacan, Mexico; being an important source of gastronomic and cultural wealth of the area. Actually, it have undergone an immense depopulation of individuals, due to the high fishing, contamination and eutrophication of the lake water, resulting in the possible extinction of this important species. This work proposes a new computational model for monitoring and assessment of critical environmental parameters of the white fish ecosystem. According to an Analytical Hierarchy Process, a mathematical model is built assigning weights to each environmental parameter depending on their water quality importance on the ecosystem. Then, a development of an advanced system for the monitoring, analysis and control of water quality is built using the virtual environment of LabVIEW. As results, we have obtained a global score that indicates the condition level of the water quality in the Chirostoma estor ecosystem (excellent, good, regular and poor), allowing to provide an effective decision making about the environmental parameters that affect the proper culture of the white fish such as temperature, pH and dissolved oxygen. In situ evaluations show regular conditions for a success reproduction and growth rates of this species where the water quality tends to have regular levels. This system emerges as a suitable tool for the water management, where future laws for white fish fishery regulations will result in the reduction of the mortality rate in the early stages of development of the species, which represent the most critical phase. This can guarantees better population sizes than those currently obtained in the aquiculture crop. The main benefit will be seen as a contribution to maintain the cultural and gastronomic wealth of the area and for its inhabitants, since white fish is an important food and economical income of the region, but the species is endangered.

Keywords: Chirostoma estor estor, computational system, lab view, white fish

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Authors: Lyudmila L. Gracheva

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Thermal shield is a multi-layer structure that consists of layers made of different materials. The use of composite materials (CM) reinforced with carbon fibers in rocket technologies (shells, bearings, wings, fairings, inter-step compartments, etc.) is due to a possibility of reducing the weight while increasing a structural strength. Structures made of a unidirectional carbon fiber reinforced plastic based on an epoxy resin are used as load-bearing skins for aircraft fairings. The results of an experimental study of the physical and mechanical properties of epoxy carbon fiber reinforced plastics depending on temperature for different storage times of products are presented. With an increasing temperature, the physical and mechanical properties of CM are determined by the thermal and deformation properties of the components and the geometry of their distribution. Samples for the study were cut from natural skins of the head fairings.

Keywords: composite material, thermal deformation, carbon fiber, heat shield, epoxy resin, thermal expansion

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Authors: Maged Assem Soliman Mossallam

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The conversion of solar thruster model to an upper stage hydrogen rocket is considered. Solar thruster categorization limits its capabilities to low and moderate thrust system with high specific impulse. The current study proposes a different concept for such systems by increasing the thrust which enables using as an upper stage rocket and for future launching purposes. A computational model for the thruster is discussed for solar thruster subsystems. The first module depends on ray tracing technique to determine the intercepted solar power by the hydrogen combustion chamber. The cavity receiver is modeled using finite volume technique. The final module imports the heated hydrogen properties to the nozzle using quasi one dimensional simulation. The probability of shock waves formulation inside the nozzle is almost diminished as the outlet pressure in space environment tends to zero. The computational model relates the high thrust hydrogen rocket conversion to the design parameters and operating conditions of the thruster. Three different designs for solar thruster systems are discussed. The first design is a low thrust high specific impulse design that produces about 10 Newton of thrust .The second one output thrust is about 250 Newton and the third design produces about 1000 Newton.

Keywords: space propulsion, hydrogen rocket, thrust, specific impulse

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Authors: Monday O. Ale, Adebukola A. Akintade, Olasunbo O. Orungbemi

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Fermentation as an important operation in the processing of cocoa beans is now affected by the recent climate change across the globe. The major requirement for effective fermentation is the ability of the material used to retain sufficient heat for the required microbial activities. Apart from the effects of climate on the rate of heat retention, the materials used for fermentation plays an important role. Most Farmers still restrict fermentation activities to the use of traditional methods. Improving on cocoa fermentation in this era of climate change makes it necessary to work on other materials that can be suitable for cocoa fermentation. Therefore, the objective of this study was to determine the effects of fermentation techniques on the quality of cocoa beans. The materials used in this fermentation research were heap-leaves (traditional), stainless steel, plastic tin, plastic basket and wooden box. The period of fermentation varies from zero days to 10 days. Physical and chemical tests were carried out for variables in quality determination in the samples. The weight per bean varied from 1.0-1.2 g after drying across the samples and the major color of the dry beans observed was brown except with the samples from stainless steel. The moisture content varied from 5.5-7%. The mineral content and the heavy metals decreased with increase in the fermentation period. A wooden box can conclusively be used as an alternative to heap-leaves as there was no significant difference in the physical features of the samples fermented with the two methods. The use of a wooden box as an alternative for cocoa fermentation is therefore recommended for cocoa farmers.

Keywords: fermentation, effects, fermentation materials, period, quality

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Authors: Krishnaiah Arkanti, Ramulu Malothu

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The experiments have been conducted to study the mechanical properties of commercially pure copper processing at room temperature by severe plastic deformation using equal channel angular extrusion (ECAE) through a die of 90^oangle up to 3 passes by route B_C i.e. rotating the sample in the same direction by 90^o after each pass. ECAE is used to produce from existing coarse grains to ultra-fine, equiaxed grains structure with high angle grain boundaries in submicron level by introducing a large amount of shear strain in the presence of hydrostatic pressure into the material without changing billet shape or dimension. Mechanical testing plays an important role in evaluating fundamental properties of engineering materials as well as in developing new materials and in controlling the quality of materials for use in design and construction. Yield stress, ultimate tensile stress and ductility are structure sensitive properties and vary with the structure of the material. Microhardness and tensile tests were carried out to evaluate the hardness, strength and ductility of the ECAE processed materials. The results reveal that the strength and hardness of commercially pure copper samples improved significantly without losing much ductility after each pass.

Keywords: equal channel angular extrusion, severe plastic deformation, copper, mechanical properties

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Authors: Abdulsalam Mas’ud

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Though Nigerian Biofuel Policy and Incentive was introduced in 2007, however, little if any is known about the impact of such policy for biodiesel development in Nigeria. It can be argued that lack of raw materials is one of the important factors that hinder the proper implementation of the policy. In line with this argument, this study aims to explore the determinants of smallholder farmers’ intention to adopt Jatropha as raw materials for biodiesel development in northern Nigeria, with Jigawa State as area of study. The determinants proposed for investigation covers personal factors, physical factors, institutional factors, economic factors, risk and uncertainty factors as well as social factors. The validation of the proposed model will have the implication of guiding policymakers towards enhancement of farmers’ participation in the Jatropha project for biodiesel raw materials production. The eventual byproducts of the proposed model validation and implementation will be employment generation, poverty reduction, combating dessert encroachment, economic diversification to renewable energy sources and electricity generation.

Keywords: adoption, biodiesel, factors, jatropha

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Authors: Ma. Gracia Corazon Cayanan, Kai Yuen Cheong, Li Sha

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Training a language model for a minority language has been a challenging task. The lack of available corpora to train and fine-tune state-of-the-art language models is still a challenge in the area of Natural Language Processing (NLP). Moreover, the need for high computational resources and bulk data limit the attainment of this task. In this paper, we presented the following contributions: (1) we introduce and used a translation pair set of Tagalog and English (TL-EN) in pre-training a language model to a minority language resource; (2) we fine-tuned and evaluated top-ranking and pre-trained semantic textual similarity binary task (STSB) models, to both TL-EN and STS dataset pairs. (3) then, we reduced the size of the model to offset the need for high computational resources. Based on our results, the models that were pre-trained to translation pairs and STS pairs can perform well for STSB task. Also, having it reduced to a smaller dimension has no negative effect on the performance but rather has a notable increase on the similarity scores. Moreover, models that were pre-trained to a similar dataset have a tremendous effect on the model’s performance scores.

Keywords: semantic matching, semantic textual similarity binary task, low resource minority language, fine-tuning, dimension reduction, transformer models

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Authors: Selin Kunc, Srinivas Koushik Gundimeda, John A. Gallagher, Roselita Fragoudakis

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This study investigates the behavior of Glass Fiber Reinforced Plastic (GFRP) laminated beams additionally reinforced with piezoelectric fibers. The electromechanical behavior of piezoelectric materials coupled with high strength/low weight GFRP laminated beams can have significant application in a wide range of industries. Energy scavenging through mechanical vibrations is the focus of this study, and possible applications can be seen in the automotive industry. This study examines the behavior of such composite laminates using Classical Lamination Theory (CLT) under three-point bending conditions. Fiber orientation is optimized for the desired stiffness and deflection that yield maximum energy output. Finite element models using ABAQUS/CAE are verified through experimental testing. The optimum stacking sequences examined are [0o]s, [ 0/45o]s, and [45/-45o]s. Results show the superiority of the stacking sequence [0/45o]s, providing higher strength at a lower weight, and maximum energy output. Furthermore, laminated GFRP beams additionally reinforced with piezoelectric fibers can be used under bending to not only replace metallic component while providing similar strength at a lower weight but also provide an energy output.

Keywords: classical lamination theory (CLT), energy scavenging, glass fiber reinforced plastics (GFRP), piezoelectric fibers

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Authors: Fatiha Teklal, Bachir Kacimi, Arezki Djebbar

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The study and application of composite materials are a truly interdisciplinary endeavor that has been enriched by contributions from chemistry, physics, materials science, mechanics and manufacturing engineering. The understanding of the interface (or interphase) in composites is the central point of this interdisciplinary effort. From the early development of composite materials of various nature, the optimization of the interface has been of major importance. Even more important, the ideas linking the properties of composites to the interface structure are still emerging. In our study, we need a direct characterization of the interface; the micromechanical tests we are addressing seem to meet this objective and we chose to use two complementary tests simultaneously. The microindentation test that can be applied to real composites and the drop test, preferred to the pull-out because of the theoretical possibility of studying systems with high adhesion (which is a priori the case with our systems). These two tests are complementary because of the principle of the model specimen used for both the first "compression indentation" and the second whose fiber is subjected to tensile stress called the drop test. Comparing the results obtained by the two methods can therefore be rewarding.

Keywords: Fiber, Interface, Matrix, Micromechanics, Pull-out

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Authors: Muhammad Nurrizka Ramadhan

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Today,Demand for wood increase in rapid rate. Wood is widely used for many things range from building materials to furniture materials. This makes the forest area in Indonesia dropped dramatically, it is estimated that the area of Indonesiaan forest in 2020 will be only about 16 million hectares. The more forest in Indonesia loss, people are required to look for another material to subtitute wood for the furniture. Jepara, a city with the largest furniture industry in Indonesia, requires a large supply of wood, it can reach 300.000 – 500.000 cubic meters per year. Most of the furniture in Jepara use teak, mahogany, and rosewood. Though teak wood is a rare species that must be protected. Today the availability of bamboo in Indonesia is very big. With cheap price, and the period of rapid growth makes bamboo can be used as a substitute for wood for the furniture industry in the future. By making use bamboo to make wood bamboo composite to replace the use of wood for furniture material. This paper is about the use of bamboo as a substitute for wood bamboo composite for the furniture industry. Expected in future, wood can be replaced by a wood bamboo composite.

Keywords: bamboo, composite, furniture, wood

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Authors: Maritz Lourens Van Rensburg, Chantel Niebuhr

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Utilizing all available renewable energy sources is an ever-growing necessity, this includes a newfound interest into hydrokinetic energy systems, which open the door to installations where conventional hydropower shows no potential. Optimization and obtaining high efficiencies are key in these installations. In this study a vertical axis Darrieus hydrokinetic turbine is designed and constructed to address certain drawbacks experience by axial flow horizontal axis turbines in an irrigation channel. Many horizontal axis turbines have been well developed and optimized to have high efficiencies but depending on the conditions experienced in an open channel, the performance of these turbines may be adversely affected. The study analyses how the designed vertical axis turbine addresses the problems experienced by a horizontal axis turbine while still achieving a satisfactory efficiency. To be able to optimize the vertical axis turbine, a computational fluid dynamics model was validated to the experimental results obtained from the power generated from a test turbine installation operating at various rotational speeds. It was found that an accurate validated model can be obtained through validation of generated power output.

Keywords: hydrokinetic, Darrieus, computational fluid dynamics, vertical axis turbine

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Authors: Stanislavs Gendelis, Maris Sinka, Andris Jakovics

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Insulation materials made from natural sources have become more popular for the ecologisation of buildings, meaning wide use of such renewable materials. Such natural materials replace synthetic products which consume a large quantity of energy. The most common and the cheapest natural materials in Latvia are cellulose-based (wood and agricultural plants). The ecological aspects of such materials are well known, but experimental data about physical properties remains lacking. In this study, six different samples of wood wool panels and a mixture of hemp shives and lime (hempcrete) are analysed. Thermal conductivity and heat capacity measurements were carried out for wood wool and cement panels using the calibrated hot plate device. Water vapor permeability was tested for hempcrete material by using the gravimetric dry cup method. Studied wood wool panels are eco-friendly and harmless material, which is widely used in the interior design of public and residential buildings, where noise absorption and sound insulation is of importance. They are also suitable for high humidity facilities (e.g., swimming pools). The difference in panels was the width of used wood wool, which is linked to their density. The results of measured thermal conductivity are in a wide range, showing the worsening of properties with the increasing of the wool width (for the least dense 0.066, for the densest 0.091 W/(m·K)). Comparison with mineral insulation materials shows that thermal conductivity for such materials are 2-3 times higher and are comparable to plywood and fibreboard. Measured heat capacity was in a narrower range; here, the dependence on the wool width was not so strong due to the fact that heat capacity value is related to mass, not volume. The resulting heat capacity is a combination of two main components. A comparison of results for different panels allows to select the most suitable sample for a specific application because the dependencies of the thermal insulation and heat capacity properties on the wool width are not the same. Hempcrete is a much denser material compared to conventional thermal insulating materials. Therefore, its use helps to reinforce the structural capacity of the constructional framework, at the same time, it is lightweight. By altering the proportions of the ingredients, hempcrete can be produced as a structural, thermal, or moisture absorbent component. The water absorption and water vapor permeability are the most important properties of these materials. Information about absorption can be found in the literature, but there are no data about water vapor transmission properties. Water vapor permeability was tested for a sample of locally made hempcrete using different air humidity values to evaluate the possible difference. The results show only the slight influence of the air humidity on the water vapor permeability value. The absolute ‘sd value’ measured is similar to mineral wool and wood fiberboard, meaning that due to very low resistance, water vapor passes easily through the material. At the same time, other properties – structural and thermal of the hempcrete is totally different. As a result, an experimentally-based knowledge of thermal and water vapor transmission properties for cellulose-based materials was significantly improved.

Keywords: heat capacity, hemp concrete, thermal conductivity, water vapor transmission, wood wool

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Authors: M. H. Brandtner-Hafner

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Adhesives have established themselves as an innovative joining technology in the wood industry. The strengths of adhesive bonding lie in the realization of lightweight designs, the avoidance of material weakening, and the joining of different types of materials. There is now a number of ways to positively influence the properties of bonded joints. One way is to add fiber fillers. This leads to an improvement in adhesion, structural integrity, and fracture toughness. In this study, the effectiveness of fiber-modified adhesives for bonding wooden joints is reviewed. A series of experimental tests were performed using the fracture analytical GF-principle to study the adhesive bonding safety and performance of the wood-adhesive interface. Two different construction adhesives based on epoxy and PUR were modified with different fiber materials and applied to bond wooden joints. The results show that bonding efficiency by adding fibrous materials to the bonding matrix leads to significant improvements in structural material properties.

Keywords: fiber-modified adhesives, bonding safety, wood-adhesive interfaces, fracture analysis

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

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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

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Authors: Harminder Kaur, Manpreet Kaur, Akanksha Kapila, Reenu

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Schiff base with general formula H₂L was derived from condensation of o-vanillin and 3-nitro-o-phenylenediamine. This Schiff base was used for the synthesis of organotin(IV) complexes with general formula R₂SnL [R=Phenyl or n-octyl] using equimolar quantities. Elemental analysis UV-Vis, FTIR, and multinuclear spectroscopic techniques (¹H, ¹³C, and ¹¹⁹Sn) NMR were carried out for the characterization of the synthesized complexes. These complexes were coloured and soluble in polar solvents. Computational studies have been performed to obtain the details of the geometry and electronic structures of ligand as well as complexes. Geometry of the ligands and complexes have been optimized at the level of Density Functional Theory with B3LYP/6-311G (d,p) and B3LYP/MPW1PW91 respectively followed by vibrational frequency analysis using Gaussian 09. Observed ¹¹⁹Sn NMR chemical shifts of one of the synthesized complexes showed tetrahedral geometry around Tin atom which is also confirmed by DFT. HOMO-LUMO energy distribution was calculated. FTIR, ¹HNMR and ¹³CNMR spectra were also obtained theoretically using DFT. Further IRC calculations were employed to determine the transition state for the reaction and to get the theoretical information about the reaction pathway. Moreover, molecular docking studies can be explored to ensure the anticancer activity of the newly synthesized organotin(IV) complexes.

Keywords: DFT, molecular docking, organotin(IV) complexes, o-vanillin, 3-nitro-o-phenylenediamine

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Authors: Samia Moulebhar, Chahrazed Bendenia, Souhila Bendenia, Hanaa Merad-dib, Sarra Merabet, Sid Ahmed Khantar, Baghdad Hadri

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The photovoltaic solar field is today experiencing exponential advancement with the exploitation of new technological sectors of nanoparticles, namely the field of solar cells based on organic polymer materials. These cells are flexible, easy to process and low cost. This work includes a presentation of the conjugated polymer materials used in the design of photovoltaic technology devices while determining their properties and then the models used for the modeling of thin film photovoltaic cells heterojunction.

Keywords: photovoltaic, cells, nanoparticles, organic

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Authors: Tarek Ninouh, Ahmed Rouili

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The Roman paths or roads offer a very interesting archaeological material, because they allow us to understand the history of human settlement and are also factors that increase territorial identity. Roman roads are one of the hallmarks of the Roman empire, which extends to North Africa. The objective of this investigation is to attract the attention of researchers to the importance of Roman roads and paths, which are found in Algeria, according to the quality of the materials and techniques used in this period of our history, and to encourage other decision makers to protect and enhance these routes because the current urbanization, intensive agricultural practices, or simply forgotten, decreases the sustainability of this important historical heritage.

Keywords: Roman paths, quality of materials, property, valuation

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Authors: E. A. Asabina, V. I. Pet'kov, P. A. Mayorov, A. V. Markin, N. N. Smirnova, A. M. Kovalskii, A. A. Usenko

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The purpose of this work was to synthesize and investigate phase formation, structure and thermophysical properties of the phosphates M_0.5+xM'_xZr_2–x(PO₄)₃ (M – Cd, Sr, Pb; M' – Mg, Co, Mn). The compounds were synthesized by sol-gel method. The results showed formation of limited solid solutions of NZP/NASICON type. The crystal structures of triple phosphates of the compositions MMg_0.5Zr_1.5(PO₄)₃ were refined by the Rietveld method using XRD data. Heat capacity (8–660 K) of the phosphates Pb_0.5+xMg_xZr_2-x(PO₄)₃ (x = 0, 0.5) was measured, and reversible polymorphic transitions were found at temperatures, close to the room temperature. The results of Rietveld structure refinement showed the polymorphism caused by disordering of lead cations in the cavities of NZP/NASICON structure. Thermal expansion (298−1073 K) of the phosphates MMg_0.5Zr_1.5(PO₄)₃ was studied by XRD method, and the compounds were found to belong to middle and low-expanding materials. Thermal diffusivity (298–573 K) of the ceramic samples of phosphates slightly decreased with temperature increasing. As was demonstrated, the studied phosphates are characterized by the better thermophysical characteristics than widespread fire-resistant materials, such as zirconia and etc.

Keywords: NASICON, NZP, phosphate, structure, synthesis, thermophysical properties

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Authors: Kadda Boumediene, Mohamed Ziani

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Mainly because of their good ratio stiffness/mass, and in addition to adjustable mechanical properties, composite materials are more and more often used as an alternative to traditional materials in several domains. Before using these materials in practical application, a detailed and precise characterization of their mechanical properties is necessary. In the present work, we will find a dynamic analyze of composite beam (natural frequencies and mode shape), an experimental vibration technique, which presents a powerful tool for the estimation of mechanical characteristics, is used to characterize a dissimilar beam of a Mortar/ natural mineral fiber. The study is completed by an analytic (Rayleigh & Rayleigh-Ritz), experimental and numerical application for non-uniform composite beam of a Mortar/ natural mineral fiber. The study is supported by a comparison between numerical and analytic results as well as a comparison between experimental and numerical results.

Keywords: composite beam, mortar/ natural mineral fiber, mechanical characteristics, natural frequencies, mode shape

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Authors: Brian J. Kozak, Joshua D. Shipman, Peng Hao Wang, Blake Shipp

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The unmanned aerial system (UAS) industry is growing at a rapid pace. This growth has increased the demand for low cost, custom made and high strength unmanned aerial vehicles (UAV). The area of most growth is in the area of 25 kg to 200 kg vehicles. Vehicles this size are beyond the size and scope of simple wood and fabric designs commonly found in hobbyist aircraft. These high end vehicles require stronger materials to complete their mission. Traditional aircraft construction materials such as aluminum are difficult to use without machining or advanced computer controlled tooling. However, by using general aviation composite aircraft homebuilding techniques and materials, a large scale UAV can be constructed cheaply and easily. Furthermore, these techniques could be used to easily manufacture cost made composite shapes and airfoils that would be cost prohibitive when using metals. These homebuilt aircraft techniques are being demonstrated by the researchers in the construction of a 75 kg aircraft.

Keywords: composite aircraft, homebuilding, unmanned aerial system industry, UAS, unmanned aerial vehicles, UAV

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Authors: B. Chen, F. Kuznik, M. Horgnies, K. Johannes, V. Morin, E. Gengembre

Abstract:

More attention on renewable energy has been done after the achievement of Paris Agreement against climate change. Solar-based technology is supposed to be one of the most promising green energy technologies for residential buildings since its widely thermal usage for hot water and heating. However, the seasonal mismatch between its production and consumption makes buildings need an energy storage system to improve the efficiency of renewable energy use. Indeed, there exist already different kinds of energy storage systems using sensible or latent heat. With the consideration of energy dissipation during storage and low energy density for above two methods, thermochemical energy storage is then recommended. Recently, ettringite (3CaO∙Al₂O₃∙3CaSO₄∙32H₂O) based materials have been reported as potential thermochemical storage materials because of high energy density (~500 kWh/m³), low material cost (700 €/m³) and low storage temperature (~60-70°C), compared to reported salt hydrates like SrBr₂·6H₂O (42 k€/m³, ~80°C), LaCl₃·7H₂O (38 k€/m³, ~100°C) and MgSO₄·7H₂O (5 k€/m³, ~150°C). Therefore, they have the possibility to be largely used in building sector with being coupled to normal solar panel systems. On the other side, the lack in terms of extensive examination leads to poor knowledge on their thermal properties and limit maturity of this technology. The aim of this work is to develop a modular reactor adapting to thermal characterizations of ettringite-based material particles of different sizes. The filled materials in the reactor can be self-compacted vertically to ensure hot air or humid air goes through homogenously. Additionally, quick assembly and modification of reactor, like LEGO™ plastic blocks, make it suitable to distinct thermochemical energy storage material samples with different weights (from some grams to several kilograms). In our case, quantity of stored and released energy, best work conditions and even chemical durability of ettringite-based materials have been investigated.

Keywords: dehydration, ettringite, hydration, modular reactor, thermochemical energy storage

Procedia PDF Downloads 123

Authors: Arianna Nativio, Zoran Kapelan, Jan Peter van der Hoek

Abstract:

Bio-composite materials are becoming increasingly popular in various applications, such as the automotive industry. Usually, bio-composite materials are made from natural resources recovered from plants, now, a new type of bio-composite material has begun to be produced in the Netherlands. This material is made from resources recovered from drinking water treatments (calcite), wastewater treatment (cellulose), and material from surface water management (aquatic plants). Surface water, raw drinking water, and wastewater can be contaminated with pathogens and chemical compounds. Therefore, it would be valuable to develop a framework to assess, monitor, and control the potential risks. Indeed, the goal is to define the major risks in terms of human health, quality of materials, and environment associated with the production and application of these new materials. This study describes the general risk assessment framework, starting with a qualitative risk assessment. The qualitative risk analysis was carried out by using the HAZOP methodology for the hazard identification phase. The HAZOP methodology is logical and structured and able to identify the hazards in the first stage of the design when hazards and associated risks are not well known. The identified hazards were analyzed to define the potential associated risks, and then these were evaluated by using the qualitative Event Tree Analysis. ETA is a logical methodology used to define the consequences for a specific hazardous incidents, evaluating the failure modes of safety barriers and dangerous intermediate events that lead to the final scenario (risk). This paper shows the effectiveness of combining of HAZOP and qualitative ETA methodologies for hazard identification and risk mapping. Then, key risks were identified, and a quantitative framework was developed based on the type of risks identified, such as QMRA and QCRA. These two models were applied to assess human health risks due to the presence of pathogens and chemical compounds such as heavy metals into the bio-composite materials. Thus, due to these contaminations, the bio-composite product, during its application, might release toxic substances into the environment leading to a negative environmental impact. Therefore, leaching tests are going to be planned to simulate the application of these materials into the environment and evaluate the potential leaching of inorganic substances, assessing environmental risk.

Keywords: bio-composite, risk assessment, water reuse, resource recovery

Procedia PDF Downloads 98

Authors: Jay Ananth

Abstract:

The drug discovery process currently requires numerous years of clinical testing as well as money just for a single drug to earn FDA approval. For drugs that even make it this far in the process, there is a very slim chance of receiving FDA approval, resulting in detrimental hurdles to drug accessibility. To minimize these inefficiencies, numerous studies have implemented computational methods, although few computational investigations have focused on a crucial feature of drugs: lipophilicity. Lipophilicity is a physical attribute of a compound that measures its solubility in lipids and is a determinant of drug efficacy. This project leverages Artificial Intelligence to predict the impact of a drug’s lipophilicity on its performance by accounting for factors such as binding affinity and toxicity. The model predicted lipophilicity and binding affinity in the validation set with very high R² scores of 0.921 and 0.788, respectively, while also being applicable to a variety of target receptors. The results expressed a strong positive correlation between lipophilicity and both binding affinity and toxicity. The model helps in both drug development and discovery, providing every pharmaceutical company with recommended lipophilicity levels for drug candidates as well as a rapid assessment of early-stage drugs prior to any testing, eliminating significant amounts of time and resources currently restricting drug accessibility.

Keywords: drug discovery, lipophilicity, ligand-receptor interactions, machine learning, drug development

Procedia PDF Downloads 94