Search results for: computational materials

Authors: Yuxi Zhu, Zhenqian Chen

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It is of great interest to investigate the thermal properties of non-precious metal catalysts for Proton exchange membrane fuel cell (PEMFC) based on the thermal management requirements. Due to the low symmetry of materials, to accurately obtain the thermal conductivity of materials, it is necessary to obtain the second and third order force constants by combining density functional theory and machine learning interatomic potential. To be specific, the interatomic force constants are obtained by moment tensor potential (MTP), which is trained by the computational trajectory of Ab initio molecular dynamics (AIMD) at 50, 300, 600, and 900 K for 1 ps each, with a time step of 1 fs in the AIMD computation. And then the thermal conductivity can be obtained by solving the Boltzmann transport equation. In this paper, the thermal transport properties of single metal atom catalysts are studied for the first time to our best knowledge by machine-learning interatomic potential (MLIP). Results show that the single metal atom catalysts exhibit anisotropic thermal conductivities and partially exhibit good thermal conductivity. The average lattice thermal conductivities of G-FeN₄, G-CoN₄ and G-NiN₄ at 300 K are 88.61 W/mK, 205.32 W/mK and 210.57 W/mK, respectively. While other single metal atom catalysts show low thermal conductivity due to their low phonon lifetime. The results also show that low-frequency phonons (0-10 THz) dominate thermal transport properties. The results provide theoretical insights into the application of single metal atom catalysts in thermal management.

Keywords: proton exchange membrane fuel cell, single metal atom catalysts, density functional theory, thermal conductivity, machine-learning interatomic potential

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Authors: Vinh Duy Cao, Shima Pilehvar, Anna M. Szczotok, Anna-Lena Kjøniksen

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The total energy consumption is dramatically increasing on over the world, especially for building energy consumption where a significant proportion of energy is used for heating and cooling purposes. One of the solutions to reduce the energy consumption for the building is to improve construction techniques and enhance material technology. Recently, microcapsulated phase change materials (MPCM) with high energy storage capacity within the phase transition temperature of the materials is a potential method to conserve and save energy. A new composite materials with high energy storage capacity by mixing MPCM into concrete for passive building technology is the promising candidate to reduce the energy consumption. One of the most untilized building materials for mixing with MPCM is Portland cement concrete. However, the emission of carbon dioxide (CO2) due to producing cement which plays the important role in the global warming is the main drawback of PCC. Accordingly, an environmentally friendly building material, geopolymer, which is synthesized by the reaction between the industrial waste material (aluminosilicate) and a strong alkali activator, is a potential materials to mixing with MPCM. Especially, the effect of MPCM on the thermal and mechanical properties of geopolymer concrete (GPC) is very limited. In this study, high thermal energy storage capacity materials were fabricated by mixing MPCM into geopolymer concrete. This article would investigate the effect of MPCM concentration on thermal and mechanical properties of GPC. The target is to balance the effect of MPCM on improving the thermal performance and maintaining the compressive strength of the geopolymer concrete at an acceptable level for building application.

Keywords: microencapsulated phase change materials, geopolymer concrete, energy storage capacity, thermal performance

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Authors: A. Şahin Zaimoglu

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A number of studies have been conducted recently to investigate the influence of randomly oriented fibers on some engineering properties of cohesive and cohesionless soils. However, few studies have been carried out on freezing-thawing behavior of fine-grained soils modified with discrete fiber inclusions and additive materials. This experimental study was performed to investigate the effect of randomly distributed polypropylene fibers (PP) and some additive materials [e.g.., borogypsum (BG), fly ash (FA) and cement (C)] on freezing-thawing durability (mass losses) of a fine-grained soil for 6,12 and 18 cycles. The Taguchi method was applied to the experiments and a standard L9 orthogonal array (OA) with four factors and three levels were chosen. A series of freezing-thawing tests were conducted on each specimen. 0-20 % BG, 0-20 % FA, 0-0.25 % PP and 0-3 % of C by total dry weight of mixture were used in the preparation of specimens. Experimental results showed that the most effective materials for the freezing-thawing durability (mass losses) of the samples were borogypsum and fly ash. The values of mass losses for 6, 12 and 18 cycles in optimum conditions were 16.1%, 5.1% and 3.6%, respectively.

Keywords: freezing-thawing, additive materials, reinforced soil, optimization

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Authors: P. Deepak Kumar, P. R. Maiti

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In recent years, sediment scour near bridge piers and abutment is a serious problem which causes nationwide concern because it has resulted in more bridge failures than other causes. Scour is the formation of scour hole around the structure mounted on and embedded in erodible channel bed due to the erosion of soil by flowing water. The formation of scour hole around the structures depends upon shape and size of the pier, depth of flow as well as angle of attack of flow and sediment characteristics. The flow characteristics around these structures change due to man-made obstruction in the natural flow path which changes the kinetic energy of the flow around these structures. Excessive scour affects the stability of the foundation of the structure by the removal of the bed material. The accurate estimation of scour depth around bridge pier is very difficult. The foundation of bridge piers have to be taken deeper and to provide sufficient anchorage length required for stability of the foundation. In this study, computational model simulations using a 3D Computational Fluid Dynamics (CFD) model were conducted to examine the mechanism of scour around a cylindrical pier. Subsequently, the flow characteristics around these structures are presented for different flow conditions. Mechanism of scouring phenomenon, the formation of vortex and its consequent effect is discussed for a straight channel. Effort was made towards estimation of scour depth around bridge piers under different flow conditions.

Keywords: bridge pier, computational fluid dynamics, multigrid, pier shape, scour

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Authors: Salvatore Luongo, Carlo Luongo

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This paper discusses the implementation solutions to reduce the computational load for the Traffic Situational Awareness with Alerts (TSAA) application, based on Automatic Dependent Surveillance-Broadcast (ADS-B) technology. In 2008, there were 23 total mid-air collisions involving general aviation fixed-wing aircraft, 6 of which were fatal leading to 21 fatalities. These collisions occurred during visual meteorological conditions, indicating the limitations of the see-and-avoid concept for mid-air collision avoidance as defined in the Federal Aviation Administration’s (FAA). The commercial aviation aircraft are already equipped with collision avoidance system called TCAS, which is based on classic transponder technology. This system dramatically reduced the number of mid-air collisions involving air transport aircraft. In general aviation, the same reduction in mid-air collisions has not occurred, so this reduction is the main objective of the TSAA application. The major difference between the original conflict detection application and the TSAA application is that the conflict detection is focused on preventing loss of separation in en-route environments. Instead TSAA is devoted to reducing the probability of mid-air collision in all phases of flight. The TSAA application increases the flight crew traffic situation awareness providing alerts of traffic that are detected in conflict with ownship in support of the see-and-avoid responsibility. The relevant effort has been spent in the design process and the code generation in order to maximize the efficiency and performances in terms of computational load and memory consumption reduction. The TSAA architecture is divided into two high-level systems: the “Threats database” and the “Conflict detector”. The first one receives the traffic data from ADS-B device and provides the memorization of the target’s data history. Conflict detector module estimates ownship and targets trajectories in order to perform the detection of possible future loss of separation between ownship and each target. Finally, the alerts are verified by additional conflict verification logic, in order to prevent possible undesirable behaviors of the alert flag. In order to reduce the computational load, a pre-check evaluation module is used. This pre-check is only a computational optimization, so the performances of the conflict detector system are not modified in terms of number of alerts detected. The pre-check module uses analytical trajectories propagation for both target and ownship. This allows major accuracy and avoids the step-by-step propagation, which requests major computational load. Furthermore, the pre-check permits to exclude the target that is certainly not a threat, using an analytical and efficient geometrical approach, in order to decrease the computational load for the following modules. This software improvement is not suggested by FAA documents, and so it is the main innovation of this work. The efficiency and efficacy of this enhancement are verified using fast-time and real-time simulations and by the execution on a real device in several FAA scenarios. The final implementation also permits the FAA software certification in compliance with DO-178B standard. The computational load reduction allows the installation of TSAA application also on devices with multiple applications and/or low capacity in terms of available memory and computational capabilities

Keywords: traffic situation awareness, general aviation, aircraft conflict detection, computational load reduction, implementation solutions, software certification

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Authors: Farokh Alipour, Ali Falavand, Neda Beit Saeid

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The calculation of the effect of accidental releases of flammable materials such as LNG requires the use of a suitable consequence model. This study is due to providing a planning advice for developments in the vicinity of LNG sites and other sites handling flammable materials. In this paper, an applicable algorithm that is able to model pool fires on water is presented and applied to estimate pool fire damage zone. This procedure can be used to model pool fires on land and could be helpful in consequence modeling and domino effect zone measurements of flammable materials which is needed in site selection and plant layout.

Keywords: LNG, pool fire, spill, radiation

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Authors: Rajat Mittal, Jung Hee Seo, Jacob Turner, Harshal Raut

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The perpetual advancement in computational capabilities, coupled with the continuous evolution of software tools and numerical algorithms, is creating novel avenues for research, exploration, and application at the nexus of computational fluid and structural mechanics. Fish leverage their remarkably flexible bodies and fins to harness energy from vortices, propelling themselves with an elegance and efficiency that captivates engineers. Bats fly with unparalleled agility and speed by using their flexible membrane wings. Wave-assisted propulsion (WAP) systems, utilizing elastically mounted hydrofoils, convert wave energy into thrust. Each of these problems involves a complex and elegant interplay between fluid dynamics and structural mechanics. Historically, investigations into such phenomena were constrained by available tools, but modern computational advancements now facilitate exploration of these multi-physics challenges with an unprecedented level of fidelity, precision, and realism. In this work, the author will discuss projects that harness the capabilities of high-fidelity sharp-interface immersed boundary methods to address a spectrum of engineering and biological challenges involving fluid-structure interaction.

Keywords: immersed boundary methods, CFD, bioflight, fluid structure interaction

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Authors: Ksenia Siadkowska, Tytus Tulwin, Rafał Sochaczewski

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Selecting appropriate materials is presently a complex task as material databases cover tens of thousands of different types of materials. Product designing proceeds in numerous stages and in most of them there are open questions with not only one correct solution but better and worse ones. This paper overviews the Diesel engine body construction materials mentioned in the literature and discusses a certain practical method to select materials for a cylinder head and a Diesel engine block as a prototype. The engine body, depending on its purpose, is most frequently iron or aluminum. If it is important to optimize parts to achieve low weight, aluminum alloys are usually applied, especially in the automotive and aviation industries. In the latter case, weight is even more important so new types of magnesium alloys which are even lighter than aluminum ones are developed and used. However, magnesium alloys are, for example, more flammable and not enough strong so, for safety reasons, this type of material is not used solely in engine bodies. Acknowledgement: This work has been realized in the cooperation with The Construction Office of WSK "PZL-KALISZ" S.A." and is part of Grant Agreement No. POIR.01.02.00-00-0002/15 financed by the Polish National Centre for Research and Development.

Keywords: aluminum alloy, cylinder head, Diesel engine, materials selection

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Authors: Ali Bayati, Jamileh Azarnoush

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Nowadays according to increasing the population all around the world, consuming of fossil fuels increased dramatically. Many believe that most of the atmospheric pollution comes by using fossil fuels. The process of natural sources entering cities shows one of the large challenges in consumption sources management. Nowadays, everyone considered about the consumption of fossil fuels and also Reduction of consumption civil energy in megacities that play a key role in solving serious problems such as air pollution, producing greenhouse gasses, global warming and damage ozone layer. In the construction industry, we should use the materials with the lowest need to energy for making and carrying them, and also the materials which need the lowest energy and expenses to recycling. In this way, the kind of usage material, the way of processing, regional materials and the adaptation with the environment is critical. Otherwise, the isolation should be use and mention in the long term. Accordingly, in this article we investigates the new ways in order to reduce environmental pollution and save more energy by using materials that are not harmful to the environment, fully insulated materials in buildings, sustainable and diversified buildings, suitable urban design and using solar energy more efficiently in order to reduce energy consumption.

Keywords: building design, construction masonry, insulation, sustainable construction

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Authors: Manisha A. Hira, Arup Rakshit

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Textile substrates are endowed with flexibility and ease of making–up, but are non-conductors of electricity. Conductive materials like carbon can be incorporated into textile structures to make flexible conductive materials. Such conductive textiles find applications as electrostatic discharge materials, electromagnetic shielding materials and flexible materials to carry current or signals. This work focuses on use of carbon fiber as conductor of electricity. Carbon fibers in staple or tow form can be incorporated in textile yarn structure to conduct electricity. The paper highlights the process for development of these conductive yarns of polyester/carbon using Friction spinning (DREF) as well as ring spinning. The optimized process parameters for processing hybrid structure of polyester with carbon tow on DREF spinning and polyester with carbon staple fiber using ring spinning have been presented. The studies have been linked to highlight the electrical conductivity of the developed yarns. Further, the developed yarns have been incorporated as weft in fabric and their electrical conductivity has been evaluated. The paper demonstrates the structure and properties of fabrics developed from such polyester/carbon blend yarns and their suitability as electrically dissipative fabrics.

Keywords: carbon fiber, conductive textiles, electrostatic dissipative materials, hybrid yarns

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Authors: Janneth Gonzalez, Marco Avila, George Barreto

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GRP78 participates in multiple functions in the cell during normal and pathological conditions, controlling calcium homeostasis, protein folding and unfolded protein response. GRP78 is located in the endoplasmic reticulum, but it can change its location under stress, hypoxic and apoptotic conditions. NF-κB represents the keystone of the inflammatory process and regulates the transcription of several genes related with apoptosis, differentiation, and cell growth. The possible relationship between GRP78-NF-κB could support and explain several mechanisms that may regulate a variety of cell functions, especially following brain injuries. Although several reports show interactions between NF-κB and heat shock proteins family members, there is a lack of information on how GRP78 may be interacting with NF-κB, and possibly regulating its downstream activation. Therefore, we assessed the computational predictions of the GRP78 (Chain A) and NF-κB complex (IkB alpha and p65) protein-protein interactions. The interaction interface of the docking model showed that the amino acids ASN 47, GLU 215, GLY 403 of GRP78 and THR 54, ASN 182 and HIS 184 of NF-κB are key residues involved in the docking. The electrostatic field between GRP78-NF-κB interfaces and molecular dynamic simulations support the possible interaction between the proteins. In conclusion, this work shed some light in the possible GRP78-NF-κB complex indicating key residues in this crosstalk, which may be used as an input for better drug design strategy targeting NF-κB downstream signaling as a new therapeutic approach following brain injuries.

Keywords: computational biology, protein interactions, Grp78, bioinformatics, molecular dynamics

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Authors: Simon Bard, Martin Demleitner, Florian Schonl, Volker Altstadt

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For an electrically driven aircraft, whose engine is based on semiconductors, alternative materials are needed. The avoid hotspots in the materials thermally conductive polymers are necessary. Nevertheless, the mechanical properties of these materials should remain. Herein, the work of three years in a project with airbus and Siemens is presented. Different strategies have been pursued to achieve conductive fiber-reinforced composites: Metal-coated carbon fibers, pitch-based fibers and particle-loaded matrices have been investigated. In addition, a combination of copper-coated fibers and a conductive matrix has been successfully tested for its conductivity and mechanical properties. First, prepregs have been produced with a laboratory scale prepreg line, which can handle materials with maximum width of 300 mm. These materials have then been processed to fiber-reinforced laminates. For the PAN-fiber reinforced laminates, it could be shown that there is a strong dependency between fiber volume content and thermal conductivity. Laminates with 50 vol% of carbon fiber offer a conductivity of 0.6 W/mK, those with 66 vol% of fiber a thermal conductivity of 1 W/mK. With pitch-based fiber, the conductivity enhances to 1.5 W/mK for 61 vol% of fiber, compared to 0.81 W/mK with the same amount of fibers produced from PAN (+83% in conducitivity). The thermal conductivity of PAN-based composites with 50 vol% of fiber is at 0.6 W/mK, their nickel-coated counterparts with the same fiber volume content offer a conductivity of 1 W/mK, an increase of 66%.

Keywords: carbon, electric aircraft, polymer, thermal conductivity

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Authors: Sachin Aggarwal, Sarah Kassinger, Nicholas Hoffman

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Geometry simplification is a key step in performing conjugate heat transfer analysis using CFD. This paper proposes a standard methodology for the geometry simplification of rotating machines, such as electrical generators and electrical motors (both air and liquid-cooled). These machines are extensively deployed throughout the aerospace and automotive industries, where optimization of weight, volume, and performance is paramount -especially given the current global transition to renewable energy sources and vehicle hybridization and electrification. Conjugate heat transfer analysis is an essential step in optimizing their complex design. This methodology will help in reducing convergence issues due to poor mesh quality, thus decreasing computational cost and overall analysis time.

Keywords: CFD, electrical machines, Geometry simplification, heat transfer

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Authors: Ugo Galvanetto, Pirto G. Pavan, Mirco Zaccariotto

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The discipline of Computer-integrated surgery (CIS) will provide equipment able to improve the efficiency of healthcare systems and, which is more important, clinical results. Surgeons and machines will cooperate in new ways that will extend surgeons’ ability to train, plan and carry out surgery. Patient specific CIS of the brain requires several steps: 1 - Fast generation of brain models. Based on image recognition of MR images and equipped with artificial intelligence, image recognition techniques should differentiate among all brain tissues and segment them. After that, automatic mesh generation should create the mathematical model of the brain in which the various tissues (white matter, grey matter, cerebrospinal fluid …) are clearly located in the correct positions. 2 – Reliable and fast simulation of the surgical process. Computational mechanics will be the crucial aspect of the entire procedure. New algorithms will be used to simulate the mechanical behaviour of cutting through cerebral tissues. 3 – Real time provision of visual and haptic feedback A sophisticated human-machine interface based on ergonomics and psychology will provide the feedback to the surgeon. The present work will address in particular point 2. Modelling the cutting of soft tissue in a structure as complex as the human brain is an extremely challenging problem in computational mechanics. The finite element method (FEM), that accurately represents complex geometries and accounts for material and geometrical nonlinearities, is the most used computational tool to simulate the mechanical response of soft tissues. However, the main drawback of FEM lies in the mechanics theory on which it is based, classical continuum Mechanics, which assumes matter is a continuum with no discontinuity. FEM must resort to complex tools such as pre-defined cohesive zones, external phase-field variables, and demanding remeshing techniques to include discontinuities. However, all approaches to equip FEM computational methods with the capability to describe material separation, such as interface elements with cohesive zone models, X-FEM, element erosion, phase-field, have some drawbacks that make them unsuitable for surgery simulation. Interface elements require a-priori knowledge of crack paths. The use of XFEM in 3D is cumbersome. Element erosion does not conserve mass. The Phase Field approach adopts a diffusive crack model instead of describing true tissue separation typical of surgical procedures. Modelling discontinuities, so difficult when using computational approaches based on classical continuum Mechanics, is instead easy for novel computational methods based on Peridynamics (PD). PD is a non-local theory of mechanics formulated with no use of spatial derivatives. Its governing equations are valid at points or surfaces of discontinuity, and it is, therefore especially suited to describe crack propagation and fragmentation problems. Moreover, PD does not require any criterium to decide the direction of crack propagation or the conditions for crack branching or coalescence; in the PD-based computational methods, cracks develop spontaneously in the way which is the most convenient from an energy point of view. Therefore, in PD computational methods, crack propagation in 3D is as easy as it is in 2D, with a remarkable advantage with respect to all other computational techniques.

Keywords: computational mechanics, peridynamics, finite element, biomechanics

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Authors: Elnaz Akbari, Zolkafle Buntat

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Today, the use of carbon-based materials such as graphene, carbon nanotubes, etc. in various applications is being extensively studied by researchers in the field. One of such applications is using them in gas sensors. While analytical investigations on the physical and chemical properties of carbon nanomaterials are the focal points in the studies, the need for experimental measurements on various physical characteristics of these materials is deeply felt. In this work, a set of experiments has been conducted using arc discharge Methane decomposition attempting to obtain carbonaceous materials (C-strands) formed between graphite electrodes. The current-voltage (I-V) characteristics of the fabricated C-strands have been investigated in the presence and absence of two different gases, NO2 and CO2. The results reveal that the current passing through the carbon films increases when the concentrations of gases are increased from 200 to 800 ppm. This phenomenon is a result of conductance changes and can be employed in sensing applications such as gas sensors.

Keywords: carbonaceous materials, gas sensing, methane arc discharge decomposition, I-V characteristics

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Authors: Zulfiye Ahan, Mustafa Dogu, Elcin Yilmaz

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The use of nonwoven textile materials in many application areas is rapidly increasing thanks to their versatile performance properties. The automotive industry is one of the largest sectors in the world with a potential market of more than 2 billion euros for nonwoven textile materials applications. Lightweight materials having higher mechanical performance, better sound and heat insulation properties are of interest in many applications. Since the usage of nonwoven surfaces provides many of these advantages, the demand for this kind of materials is gradually growing especially in the automotive industry. Nonwoven materials used in lightweight vehicles can contain economical and high strength thermoplastics as well as durable components such as glass fiber. By bringing these composite materials into foam structure containing micro or nanopores, products with high absorption ability, light and mechanically stronger can be fabricated. In this respect, our goal is to produce thermoplastic composite nonwoven by using nonwoven glass fiber fabric reinforced polypropylene (PP). Azodicarbonamide (ADC) was selected as a foaming agent and a thermal process was applied to obtain porous structure. Various foaming temperature ranges and residence times were studied to examine the foaming behaviour of the thermoplastic composite nonwoven. Physicochemical and mechanical tests were applied in order to analyze the characteristics of composite foams.

Keywords: composite nonwoven, thermoplastic foams, foaming agent, foaming behavior

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Authors: Abdalla Ahmad Obeidat

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Developing efficient hydrogen storage materials is critical to advancing clean energy technologies, particularly for applications in fuel cells and renewable energy systems. This study explores materials for hydrogen storage through Density Functional Theory (DFT) calculations, addressing one of the most significant challenges in sustainable energy: the safe and efficient storage and release of hydrogen. Our research provides an in-depth analysis of various candidate compounds' structural and electronic properties, aiming to identify materials with enhanced hydrogen storage capacities. By investigating adsorption mechanisms and optimizing key material properties, we aim to contribute to developing high-performance hydrogen storage solutions. The findings from this work have the potential to impact the field of hydrogen fuel technology significantly, offering insights and advancements that support the transition to sustainable energy systems.

Keywords: hydrogen storage, density functional theory, electronic, thermal stability

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Authors: Băilă Diana Irinel, Păcurar Răzvan, Păcurar Ancuța

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In the last years, composite materials are increasingly used in automotive, aeronautic, aerospace, construction applications. Composite materials have been used in aerospace in applications such as engine blades, brackets, interiors, nacelles, propellers/rotors, single aisle wings, wide body wings. The fields of use of composite materials have multiplied with the improvement of material properties, such as stability and adaptation to the environment, mechanical tests, wear resistance, moisture resistance, etc. The composite materials are classified concerning type of matrix materials, as metallic, polymeric and ceramic based composites and are grouped according to the reinforcement type as fibre, obtaining particulate and laminate composites. Production of a better material is made more likely by combining two or more materials with complementary properties. The best combination of strength and ductility may be accomplished in solids that consist of fibres embedded in a host material. Polyester is a suitable component for composite materials, as it adheres so readily to the particles, sheets, or fibres of the other components. The important properties of the reinforcing fibres are their high strength and high modulus of elasticity. For applications, as in automotive or in aeronautical domain, in which a high strength-to-weight ratio is important, non-metallic fibres such as fiberglass have a distinct advantage because of their low density. In general, the glass fibres content varied between 9 to 33% wt. in the composites. In this article, high-performance types of composite materials glass-epoxy and glass-polyester used in automotive domain will be analyzed, performing tensile and flexural tests and SEM analyzes.

Keywords: glass-polyester composite, glass fibre, traction and flexion tests, SEM analyzes

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Authors: D. Kliaugaitė, J. K, Staniškis

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In this study tree types of multilayer gas barrier plastic packaging films were compared using life cycle assessment as a tool for resource efficient and environmentally low-impact materials selection. The first type of multilayer packaging film (PET-AlOx/LDPE) consists of polyethylene terephthalate with barrier layer AlOx (PET-AlOx) and low density polyethylene (LDPE). The second type of polymer film (PET/PE-EVOH-PE) is made of polyethylene terephthalate (PET) and co-extrusion film PE-EVOH-PE as barrier layer. And the third one type of multilayer packaging film (PET-PVOH/LDPE) is formed from polyethylene terephthalate with barrier layer PVOH (PET-PVOH) and low density polyethylene (LDPE). All of analyzed packaging has significant impact to resource depletion, because of raw materials extraction and energy use and production of different kind of plastics. Nevertheless the impact generated during life cycle of functional unit of II type of packaging (PET/PE-EVOH-PE) was about 25% lower than impact generated by I type (PET-AlOx/LDPE) and III type (PET-PVOH/LDPE) of packaging. Result revealed that the contribution of different gas barrier type to the overall environmental problem of packaging is not significant. The impact are mostly generated by using energy and materials during raw material extraction and production of different plastic materials as plastic polymers material as PE, LDPE and PET, but not gas barrier materials as AlOx, PVOH and EVOH. The LCA results could be useful in different decision-making processes, for selecting resource efficient and environmentally low-impact materials.

Keywords: life cycle assessment, polymer packaging, resource efficiency, materials extraction, polyethylene terephthalate

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Authors: Carlos A. Acosta, Amar Bhalla, Ruyan Guo

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Scraped surface heat exchangers (SSHE) use a rotor shaft assembly with scraping blades to homogenize viscous fluids during the heat transfer process. Obtaining in-situ measurements is difficult because the rotor and scraping blades spin continuously inside the mixing chamber, obstructing the instrumentation pathway. Computational fluid dynamics simulations provide useful insight into the flow behavior around the scraper blades for a variety of fluids and blade geometries. However, numerical solutions often focus on the fluid dynamics and heat transfer phenomena of rotating flow, ignoring the glass-transition temperature and freezing point depression. This research studies the multi-phase fluid dynamics and freezing point depression inside the SSHE with non-isothermal conditions in a time dependent process using an aqueous solution that contains 13.5 wt.% high fructose corn syrup and CO₂. The computational results were validated with in-situ pressure, temperature, and optical spectroscopy measurements. Results from the numerical model show good quantitatively agreement with experimental values.

Keywords: computational fluid dynamics, freezing point depression, phase-transition temperature, multi-phase flow

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Authors: Elmo Thiago Lins Cöuras Ford, Valentina Alessandra Carvalho do Vale, Rubens Maribondo do Nascimento, José Ubiragi de Lima Mendes

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Recycling has been greatly stimulated by the market. There are already several products that are produced with recycled materials and various wastes have been studied in various forms of applications. The vast majority of insulation applications in domestic, commercial and industrial systems in the range of low and medium temperatures (up to 180 ° C), using the aggressive nature materials such as glass wool, rock wool, polyurethane, polystyrene. Such materials, while retaining the effectiveness of the heat flux, are disposed as expensive and take years too absorbed by nature. Thus, trying to adapt to a global policy on the preservation of the environment, a study in order to develop an insulating compound of natural / industrial waste and biodegradable materials conducted. Thus, this research presents the development of a composite material based zest tire and latex for thermal and electrical insulation.

Keywords: composite, latex, scrapes tire, insulation, electrical

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Authors: Apeng Dong, Shu Li, Wenguo Zhu, Ming Qi, Qiuyi Xu

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The primary objective of this paper is to focus on the elasticity properties of three-dimensional full five directional (3Df5d) braided composite. A large body of research has been focused on the 3D four directional (4d) and 3D five directional (5d) structure but not much research on the 3Df5d material. Generally, the influence of the yarn shape on mechanical properties of braided materials tends to be ignored, which makes results too ideal. Besides, with the improvement of the computational ability, people are accustomed to using computers to predict the material parameters, which fails to give an explicit and concise result facilitating production and application. Based on the traditional mechanics, this paper firstly deduced the functional relation between elasticity properties and braiding parameters. In addition, considering the actual shape of yarns after consolidation, the longitudinal modulus is modified and defined practically. Firstly, the analytic model is established based on the certain assumptions for the sake of clarity, this paper assumes that: A: the cross section of axial yarns is square; B: The cross section of braiding yarns is hexagonal; C: the characters of braiding yarns and axial yarns are the same; D: The angle between the structure boundary and the projection of braiding yarns in transverse plane is 45°; E: The filling factor ε of composite yarns is π/4; F: The deformation of unit cell is under constant strain condition. Then, the functional relation between material constants and braiding parameters is systematically deduced aimed at the yarn deformation mode. Finally, considering the actual shape of axial yarns after consolidation, the concept of technology factor is proposed and the longitudinal modulus of the material is modified based on the energy theory. In this paper, the analytic solution of material parameters is given for the first time, which provides a good reference for further research and application for 3Df5d materials. Although the analysis model is established based on certain assumptions, the analysis method is also applicable for other braided structures. Meanwhile, it is crucial that the cross section shape and straightness of axial yarns play dominant roles in the longitudinal elastic property. So in the braiding and solidifying process, the stability of the axial yarns should be guaranteed to increase the technology factor to reduce the dispersion of material parameters. Overall, the elastic properties of this materials are closely related to the braiding parameters and can be strongly designable, and although the longitudinal modulus of the material is greatly influenced by the technology factors, it can be defined to certain extent.

Keywords: analytic solution, braided composites, elasticity properties, technology factor

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Authors: Sandeep Mohan Ahuja, Gulshan Kumar Jawa

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Cyclone separators are crucial components in various industries tasked with efficiently separating particulate matter from gas streams. Achieving optimal performance hinges on a deep understanding of flow dynamics and particle behaviour within these separators. In this investigation, Computational Fluid Dynamics (CFD) simulations are conducted utilizing the Discrete Phase Model (DPM) to dissect the intricate flow patterns, particle trajectories, and separation efficiency within cyclone separators. The study delves into the influence of pivotal parameters like inlet velocity, particle size distribution, and cyclone geometry on separation efficiency. Through numerical simulations, a comprehensive comprehension of fluid-particle interaction phenomena within cyclone separators is attained, allowing for the assessment of solid collection efficiency across diverse operational conditions and geometrical setups. The insights gleaned from this study promise to advance our understanding of the complex interplay between fluid and particle within cyclone separators, thereby enabling optimization across a wide array of industrial applications. By harnessing the power of CFD simulations and the DPM, this research endeavours to furnish valuable insights for designing, operating, and evaluating the performance of cyclone separators, ultimately fostering greater efficiency and environmental sustainability within industrial processes.

Keywords: cyclone separator, computational fluid dynamics, enhancing efficiency, discrete phase model

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Authors: Clement Leroy, Guillaume Boitel

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This paper presents a comparative benchmarking review of a steady and transient three-dimensional (3D) flow computations in centrifugal pump using commercial (AnsysCFX) and open source (OpenFOAM) computational fluid dynamics (CFD) software. In centrifugal rotor-dynamic pump, the fluid enters in the impeller along to the rotating axis to be accelerated in order to increase the pressure, flowing radially outward into another stage, vaned diffuser or volute casing, from where it finally exits into a downstream pipe. Simulations are carried out at the best efficiency point (BEP) and part load, for single-phase flow with several turbulence models. The results are compared with overall performance report from experimental data. The use of CFD technology in industry is still limited by the high computational costs, and even more by the high cost of commercial CFD software and high-performance computing (HPC) licenses. The main objectives of the present study are to define OpenFOAM methodology for high-quality 3D steady and transient turbomachinery CFD simulation to conduct a thorough time-accurate performance analysis. On the other hand a detailed comparisons between computational methods, features on latest Ansys release 18 and OpenFOAM is investigated to assess the accuracy and industrial applications of those solvers. Finally an automated connected workflow (IoT) for turbine blade applications is presented.

Keywords: benchmarking, CFX, internet of things, openFOAM, time-accurate, turbomachinery

Procedia PDF Downloads 204

Authors: T. M. Ismail, M. A. El-Salam

Abstract:

A mathematical model study was carried out to investigate gasification of biomass fuels using high-temperature air and steam as a gasifying agent using high-temperature air up to 1000°C. In this study, a 2D computational fluid dynamics model was developed to study the gasification process in an updraft gasifier, considering drying, pyrolysis, combustion, and gasification reactions. The gas and solid phases were resolved using a Euler−Euler multiphase approach, with exchange terms for the momentum, mass, and energy. The standard k−ε turbulence model was used in the gas phase, and the particle phase was modeled using the kinetic theory of granular flow. The results show that the present model giving a promising way in its capability and sensitivity for the parameter effects that influence the gasification process.

Keywords: computational fluid dynamics, gasification, biomass fuel, fixed bed gasifier

Procedia PDF Downloads 406

Authors: Hosamuddin Hamza

Abstract:

The major concept of 4D printing is self-folding under thermal and humidity changes. This concept relies on understanding how the microstructures of 3D-printed models can undergo spontaneous shape transformation under thermal and moisture changes. The transformation mechanism could be achieved by mixing, in a controllable pattern, a number of materials within the printed model, each with known strain/shrinkage properties. 4D printing has a strong potential to be applied in dentistry as the technology could produce dynamic and adaptable materials to be used as functional objects in the oral environment under the continuously changing thermal and humidity conditions. The motion criteria could override the undesired dimensional changes, thermal instability, polymerization shrinkage and microleakage. 4D printing could produce restorative materials being self-adjusted spontaneously without further intervention from the dentist or patient; that is, the materials could be capable of fixing its failed portions, compensating for some lost tooth structure, while avoiding microleakage or overhangs at the margins. In prosthetic dentistry, 4D printing could provide an option to manage the influence of bone and soft tissue imbalance during mastication (and at rest) with high predictability of the type/direction of forces. It can also produce materials with better fitting and retention characteristics than conventional or 3D-printed materials. Nevertheless, it is important to highlight that 4D-printed objects, having dynamic properties, could provide some cushion as they undergo self-folding compensating for any thermal changes or mechanical forces such as traumatic forces.

Keywords: functional material, self-folding material, 3D printing, 4D printing

Procedia PDF Downloads 479

Authors: Semeh Ben Salem, Sami Naouali, Moetez Sallami

Abstract:

The increasing amount of collected data has limited the performance of the current analyzing algorithms. Thus, developing new cost-effective algorithms in terms of complexity, scalability, and accuracy raised significant interests. In this paper, a modified effective k-means based algorithm is developed and experimented. The new algorithm aims to reduce the computational load without significantly affecting the quality of the clusterings. The algorithm uses the City Block distance and a new stop criterion to guarantee the convergence. Conducted experiments on a real data set show its high performance when compared with the original k-means version.

Keywords: pattern recognition, global terrorism database, Manhattan distance, k-means clustering, terrorism data analysis

Procedia PDF Downloads 386

Authors: Badis Kahouadji, Lakhdar Guerbous, Lyes Lamiri

Abstract:

For many years, the luminescent materials were investigated principally in the infrared and visible areas, because the ultraviolet (UV) and especially in vacuum Ultraviolet (VUV) are technically more difficult to explore, especially absence of applications requiring of materials suitable to short wavelengths.Recent necessary, related to the development of certain technologies, encouraged research in these spectra domains. It is in this context that the 4Fn-4Fn-1 5d transitions of rare earth in insulating materials, lying in the UV and VUV, are the aim of large number of studies. These studies relate in particular to search for new scintillator materials used for spectroscopy and X-ray, ɤ, as well as medical imaging. The 4Fn- 4Fn-15d transitions of the rare earth dependent to the host-matrix, several matrices ions were used to study these transitions, in this work we are suggeting to study on a very specific class of inorganic scintillators that are orthophosphate doped with rare earth ions, this study focused on the Pr3+ concentration on the structural and optical properties of Pr3+ doped YPO4 (yttriumorthophosphate) with powder form prepared by the Sol Gel method.

Keywords: rare earth, scintillator, YPO4:Pr3+ nanophosphors, sol gel, 4Fn-4Fn-15d transitions

Procedia PDF Downloads 602

Authors: Jiao F. Huang, Shi Chen, Shu C. Duan, Gang H. Wang

Abstract:

Due to its complex spatial structure as well as dynamic temporal evolution, an analytic solution of an X-pinch process is out of question, and numerical simulation becomes an important tool in X-pinch studies. Intrinsically, simulations of X-pinch are three-dimensional (3D) because of the specific structure of its load. Furthermore, in order to resolve both its μm-scales and ns-durations, fine spatial mesh grid and short time steps are usually adopted. The resulting large computational scales make the parallelization of codes a vital problem to be solved if any practical simulations are to be carried out. In this work, we report OpenMP parallelization of our 3D magnetohydrodynamic (MHD) code FOI-PERFECT. Results of test runs confirm that computational efficiency has been improved after parallelization, and both the sequential and parallel versions give the same physical results under the same initial conditions.

Keywords: MHD simulation, OpenMP, parallelization, X-pinch

Procedia PDF Downloads 340

Authors: Jagroop Singh Sidhu, Buta Singh

Abstract:

A low computational deblocking filter including three frequency related modes (smooth mode, intermediate mode, and non-smooth mode for low-frequency, mid-frequency, and high frequency regions, respectively) is proposed. The suggested approach requires zero additions, zero subtractions, zero multiplications (for intermediate region), no divisions (for non-smooth region) and no comparison. The suggested method thus keeps the computation lower and thus suitable for image coding systems based on blocks. Comparison of average number of operations for smooth, non-smooth, intermediate (per pixel vector for each block) using filter suggested by Chen and the proposed method filter suggests that the proposed filter keeps the computation lower and is thus suitable for fast processing algorithms.

Keywords: blocking artifacts, computational complexity, non-smooth, intermediate, smooth

Procedia PDF Downloads 462