Search results for: numerical calculations

Authors: M. Kowalik, J. Masternak, K. Kazimierczuk, O. V. Khavryuchenko, B. Kupcewicz, B. Barszcz

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Recently, the growing interest of chemists in metal-organic coordination polymers (MOCPs) is primarily derived from their intriguing structures and potential applications in catalysis, gas storage, molecular sensing, ion exchanges, nonlinear optics, luminescence, etc. Currently, we are devoting considerable effort to finding the proper method of synthesizing new coordination polymers containing S- or N-heteroaromatic carboxylates as linkers and characterizing the obtained Pb(II) compounds according to their structural diversity, luminescence, and thermal properties. The choice of Pb(II) as the central ion of MOCPs was motivated by several reasons mentioned in the literature: i) a large ionic radius allowing for a wide range of coordination numbers, ii) the stereoactivity of the 6s2 lone electron pair leading to a hemidirected or holodirected geometry, iii) a flexible coordination environment, and iv) the possibility to form secondary bonds and unusual non-covalent interactions, such as classic hydrogen bonds and π···π stacking interactions, as well as nonconventional hydrogen bonds and rarely reported tetrel bonds, Pb(lone pair)···π interactions, C–H···Pb agostic-type interactions or hydrogen bonds, and chelate ring stacking interactions. Moreover, the construction of coordination polymers requires the selection of proper ligands acting as linkers, because we are looking for materials exhibiting different network topologies and fluorescence properties, which point to potential applications. The reaction of Pb(NO₃)₂ with 1H-pyrrole-2-carboxylic acid (2prCOOH) leads to the formation of a new four-nuclear Pb(II) polymer, [Pb4(2prCOO)₈(H₂O)]ₙ, which has been characterized by CHN, FT-IR, TG, PL and single-crystal X-ray diffraction methods. In view of the primary Pb–O bonds, Pb1 and Pb2 show hemidirected pentagonal pyramidal geometries, while Pb2 and Pb4 display hemidirected octahedral geometries. The topology of the strongest Pb–O bonds was determined as the (4·8²) fes topology. Taking the secondary Pb–O bonds into account, the coordination number of Pb centres increased, Pb1 exhibited a hemidirected monocapped pentagonal pyramidal geometry, Pb2 and Pb4 exhibited a holodirected tricapped trigonal prismatic geometry, and Pb3 exhibited a holodirected bicapped trigonal prismatic geometry. Moreover, the Pb(II) lone pair stereoactivity was confirmed by DFT calculations. The 2D structure was expanded into 3D by the existence of non-covalent O/C–H···π and Pb···π interactions, which was confirmed by the Hirshfeld surface analysis. The above mentioned interactions improve the rigidity of the structure and facilitate the charge and energy transfer between metal centres, making the polymer a promising luminescent compound.

Keywords: coordination polymers, fluorescence properties, lead(II), lone electron pair stereoactivity, non-covalent interactions

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Authors: Kuheli Chakrabarty, Animesh Ghosh, Atanu Roy, Gourab Kanti Das

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Aldol reaction is an important class of carbon-carbon bond forming reactions. One of the popular ways to impose asymmetry in aldol reaction is the introduction of chiral auxiliary that binds the approaching reactants and create dissymmetry in the reaction environment, which finally evolves to enantiomeric excess in the aldol products. The last decade witnesses the usage of natural amino acids as chiral auxiliary to control the stereoselectivity in various carbon-carbon bond forming processes. In this context, L-proline was found to be an effective organocatalyst in asymmetric aldol additions. In last few decades the use of water as solvent or co-solvent in asymmetric organocatalytic reaction is increased sharply. Simple amino acids like L-proline does not catalyze asymmetric aldol reaction in aqueous medium not only that, In organic solvent medium high catalytic loading (~30 mol%) is required to achieve moderate to high asymmetric induction. In this context, huge efforts have been made to modify L-proline and 4-hydroxy-L-proline to prepare organocatalyst for aqueous medium asymmetric aldol reaction. Here, we report the result of our DFT calculations on asymmetric aldol reaction of benzaldehyde, p-NO2 benzaldehyde and t-butyraldehyde with a number of ketones using L-proline hydrazide as organocatalyst in wet solvent free condition. Gaussian 09 program package and Gauss View program were used for the present work. Geometry optimizations were performed using B3LYP hybrid functional and 6-31G(d,p) basis set. Transition structures were confirmed by hessian calculation and IRC calculation. As the reactions were carried out in solvent free condition, No solvent effect were studied theoretically. Present study has revealed for the first time, the direct involvement of two water molecules in the aldol transition structures. In the TS, the enamine and the aldehyde is connected through hydrogen bonding by the assistance of two intervening water molecules forming a supramolecular network. Formation of this type of supramolecular assembly is possible due to the presence of protonated -NH2 group in the L-proline hydrazide moiety, which is responsible for the favorable entropy contribution to the aldol reaction. It is also revealed from the present study that, water assisted TS is energetically more favorable than the TS without involving any water molecule. It can be concluded from this study that, insertion of polar group capable of hydrogen bond formation in the L-proline skeleton can lead to a favorable aldol reaction with significantly high enantiomeric excess in wet solvent free condition by reducing the activation barrier of this reaction.

Keywords: aldol reaction, DFT, organocatalysis, transition structure

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Authors: Fang Li, Jiazhao Wang, Jianmin Ma

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The practical application of Li-S batteries is hampered due to poor cycling stability caused by electrolyte-dissolved lithium polysulfides. Dual functionalities such as strong chemical adsorption stability and high conductivity are highly desired for an ideal host material for a sulfur-based cathode. Polypyrrole (PPy), as a conductive polymer, was widely studied as matrixes for sulfur cathode due to its high conductivity and strong chemical interaction with soluble polysulfides. Thus, a novel cathode structure consisting of a free-standing sulfur-polypyrrole cathode and a polypyrrole coated separator was designed for flexible Li-S batteries. The PPy materials show strong interaction with dissoluble polysulfides, which could suppress the shuttle effect and improve the cycling stability. In addition, the synthesized PPy film with a rough surface acts as a current collector, which improves the adhesion of sulfur materials and restrain the volume expansion, enhancing the structural stability during the cycling process. For further enhancing the cycling stability, a PPy coated separator was also applied, which could make polysulfides into the cathode side to alleviate the shuttle effect. Moreover, the PPy layer coated on commercial separator is much lighter than other reported interlayers. A soft-packaged flexible Li-S battery has been designed and fabricated for testing the practical application of the designed cathode and separator, which could power a device consisting of 24 light-emitting diode (LED) lights. Moreover, the soft-packaged flexible battery can still show relatively stable cycling performance after repeated bending, indicating the potential application in flexible batteries. A novel vapor phase deposition method was also applied to prepare uniform polypyrrole layer coated sulfur/graphene aerogel composite. The polypyrrole layer simultaneously acts as host and adsorbent for efficient suppression of polysulfides dissolution through strong chemical interaction. The density functional theory (DFT) calculations reveal that the polypyrrole could trap lithium polysulfides through stronger bonding energy. In addition, the deflation of sulfur/graphene hydrogel during the vapor phase deposition process enhances the contact of sulfur with matrixes, resulting in high sulfur utilization and good rate capability. As a result, the synthesized polypyrrole coated sulfur/graphene aerogel composite delivers a specific discharge capacity of 1167 mAh g⁻¹ and 409.1 mAh g⁻¹ at 0.2 C and 5 C respectively. The capacity can maintain at 698 mAh g⁻¹ at 0.5 C after 500 cycles, showing an ultra-slow decay rate of 0.03% per cycle.

Keywords: polypyrrole, strong chemical interaction, long-term stability, Li-S batteries

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Authors: Z. N. Haji, S. O. Oyadiji, H. Samami, O. Farrell

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The prediction of the vibration response of rubber products by analytical or numerical method depends mainly on the predefined intrinsic material properties such as Young’s modulus, damping factor and Poisson’s ratio. Such intrinsic properties are determined experimentally by subjecting a bonded rubber sample to compression tests. The compression tests on such a sample yield an apparent Young’s modulus which is greater in magnitude than the intrinsic Young’s modulus of the rubber. As a result, many analytical equations have been developed to determine Young’s modulus from an apparent Young’s modulus of bonded rubber materials. In this work, the applicability of some of these analytical equations is assessed via experimental testing. The assessment is based on testing of vulcanized nitrile butadiene rubber (NBR70) samples using tensile test and compression test methods. The analytical equations are used to determine the intrinsic Young’s modulus from the apparent modulus that is derived from the compression test data of the bonded rubber samples. Then, these Young’s moduli are compared with the actual Young’s modulus that is derived from the tensile test data. The results show significant discrepancy between the Young’s modulus derived using the analytical equations and the actual Young’s modulus.

Keywords: bonded rubber, quasi-static test, shape factor, apparent Young’s modulus

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Authors: Shreya Banerjee, Roshmi Sen, Subrata Chattopadhyay

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Urbanization during the second half of the last century has created many serious environment related issues leading to global warming and climate change. India is not an exception as the country is also facing the problems of global warming and urban heat islands (UHI) in all the major metropolises. This paper discusses the effect of different housing cluster layouts, site geometry, and geometry of urban street canyons on the urban heat island profile. The study is carried out using the three dimensional microclimatic computational fluid dynamics model ENVI-met version 3.1. Simulation models are done for a typical summer day of 21st June, 2015 in four different residential neighborhoods in the city of Kolkata which predominantly belongs to Warm-Humid Monsoon Climate. The results show the changing pattern of urban heat island profile with respect to different clustering layouts, geometry, and morphology of urban street canyons. The comparison between the four neighborhoods shows that different microclimatic variables are strongly dependant on the neighborhood layout pattern and geometry. The inferences obtained from this study can be indicative towards the formulation of neighborhood design by-laws that will attenuate the urban heat island effect.

Keywords: urban heat island, neighborhood morphology, site microclimate, ENVI-met, numerical analysis

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Authors: Mohsen Akhlaghi, Tahereh Ebrahimi

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Considering the increasing demand for water and limited resources, there is a possibility of a water crisis in the not-so-distant future. Therefore, to prevent this crisis, other options for drinking water supply should be examined. In this regard, the application of multi-criteria decision-making methods in various aspects of water resource management and planning has always been of great interest to researchers. In this report, six options for supplying drinking water to Tehran City were considered. Then, experts' opinions were collected through matrices and questionnaires, and using the TOPSIS method, which is one of the types of multi-criteria decision-making methods, they were calculated and analyzed. In the TOPSIS method, the options were ranked by calculating their proximity to the ideal (Ci). The closer the numerical value of Ci is to one, the more desirable the option is. Based on this, the option with the optimization pattern of water consumption, with Ci = 0.9787, is the best option among the proposed options for supplying drinking water to Tehran City. The other options, in order of priority, are rainwater harvesting, wastewater reuse, increasing current water supply sources, desalination and its transfer, and transferring water from freshwater sources between basins. In conclusion, the findings of this study highlight the importance of exploring alternative drinking water supply options and utilizing multi-criteria decision-making approaches to address the potential water crisis.

Keywords: multi-criteria decision, sustainable development, topsis, water supply

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Authors: Helia Barzegar Sedigh, Farzaneh Hamedi, Payam Ashtari

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There are some limitations in common structural systems, such as providing appropriate lateral stiffness, adequate ductility, and architectural openings at the same time. Consequently, the concept of T-Resisting Frame (TRF) has been introduced to overcome all these deficiencies. The configuration of TRF in this study is a Vertical Plate Girder (VPG) which is placed within the span and two Horizontal Plate Girders (HPGs) connect VPG to side columns at each story level by the use of rigid connections. System performance is improved by utilizing rigid connections in side columns base joint. Shear yield of HPGs causes energy dissipation in TRF; therefore, high plastic deformation in web of HPGs and VPG affects the ductility of system. Moreover, in order to prevent shear buckling in web of TRF’s members and appropriate criteria for placement of web stiffeners are applied. In this paper, an experimental study is conducted by applying cyclic loading and using finite element models and numerical studies such as push over method are assessed on shear and flexural yielding of HPGs. As a result, seismic parameters indicate adequate lateral stiffness, and high ductility factor of 6.73, and HPGs’ shear yielding achieved as a proof of TRF’s better performance.

Keywords: experimental study, finite element model, flexural and shear yielding, t-resisting frame

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Authors: Rims Janeliukstis, Deniss Mironovs, Andrejs Kovalovs

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Operational Modal Analysis (OMA) is widely applied as a method for Structural Health Monitoring for structural damage identification and assessment by tracking the changes of the identified modal parameters over time. Unfortunately, modal parameters also depend on such external factors as temperature and loads. Any structural condition assessment using modal parameters should be done taking into consideration those external factors, otherwise there is a high chance of false positives. A method of structural reliability assessment based on anomaly detection technique called Machalanobis Squared Distance (MSD) is proposed. It requires a set of reference conditions to learn healthy state of a structure, which all future parameters are compared to. In this study, structural modal parameters (natural frequency and mode shape), as well as ambient temperature and loads acting on the structure are used as features. Numerical tests were performed on a finite element model of a carbon fibre reinforced polymer composite beam with delamination damage at various locations and of various severities. The advantages of the demonstrated approach include relatively few computational steps, ability to distinguish between healthy and damaged conditions and discriminate between different damage severities. It is anticipated to be promising in reliability assessment of massively produced structural parts.

Keywords: operational modal analysis, reliability assessment, anomaly detection, damage, mahalanobis squared distance

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Authors: Mahnaz Hosseinzadeh, Shaghayegh Rezaee Amiri

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This paper presents a methodology for serial production planning problem in wire and cable manufacturing process that addresses the problem of input-output imbalance in different consecutive stations, hoping to minimize the halt of machines in each stage. To this end, a linear Goal Programming (GP) model is developed, in which four main categories of constraints as per the number of runs per machine, machines’ sequences, acceptable inventories of machines at the end of each period, and the necessity of fulfillment of the customers’ orders are considered. The model is formulated based upon on the real data obtained from IKO TAK Company, an important supplier of wire and cable for oil and gas and automotive industries in Iran. By solving the model in GAMS software the optimal number of runs, end-of-period inventories, and the possible minimum idle time for each machine are calculated. The application of the numerical results in the target company has shown the efficiency of the proposed model and the solution in decreasing the lead time of the end product delivery to the customers by 20%. Accordingly, the developed model could be easily applied in wire and cable companies for the aim of optimal production planning to reduce the halt of machines in manufacturing stages.

Keywords: goal programming approach, GP, production planning, serial manufacturing process, wire and cable industry

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Authors: Hendrik Bernard Van Der Walt, Frik Van Niekerk

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Fuel models render a reduction in BOL when thorium is added to a reactor core. Thorium emulates the role of a fertile poison, and is beneficial for reducing beginning of cycle (BOC) excess reactivity. In spite of the build-up of 233U over the duration of a fuel cycle, the effects of fuel reloading have a significant impact on fuel viability, especially in the case of heterogeneous thorium-based fuels. The most common practice of compensating for the reduction of BOC reactivity is the addition of fissile isotopes (uranium fuel with increased enrichment or plutonium). This study introduces a heterogeneous thorium-based fuel with minimal fissile isotope additions. A pseudo reloading scheme was developed for numerical simulations of an infinite reactor based on the North-Anna 1 reactor operating in Virginia, USA. Use of this reloading pattern allows new thorium-based fuel to be loaded into the reactor model as part of a phasing in strategy at the end of any conventional reactor cycle. Results demonstrate the effects of thorium-based fuel on fuel cycle characteristics such as fuel cycle length, neutron economy and material matrix. Application of the above mentioned approach delivered promising results and presents a heterogeneous thorium-based fuel which could replace conventional fuel of typical, currently operating (or future) reactors without the need for expensive reactor redesign or fuel recycling strategies.

Keywords: nuclear fuel, nuclear characteristics, nuclear fuel cycle, thorium-based fuel, heterogeneous design, fuel reloading

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Authors: Vinod Kumar, Surjit Angra

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The objective of this theoretical study is to develop simple design formulas for the prediction of minimum film thickness and maximum mean film temperature rise in lightly loaded high-speed rolling/sliding lubricated elliptical contacts incorporating starvation effect. Herein, the reported numerical analysis focuses on thermoelastohydrodynamically lubricated rolling/sliding elliptical contacts, considering the Newtonian rheology of lubricant for wide range of operating parameters, namely load characterized by Hertzian pressure (PH = 0.01 GPa to 0.10 GPa), rolling speed (>10 m/s), slip parameter (S varies up to 1.0), and ellipticity ratio (k = 1 to 5). Starvation is simulated by systematically reducing the inlet supply. This analysis reveals that influences of load, rolling speed, and level of starvation are significant on the minimum film thickness. However, the maximum mean film temperature rise is strongly influenced by slip in addition to load, rolling speed, and level of starvation. In the presence of starvation, reduction in minimum film thickness and increase in maximum mean film temperature are observed. Based on the results of this study, empirical relations are developed for the prediction of dimensionless minimum film thickness and dimensionless maximum mean film temperature rise at the contacts in terms of various operating parameters.

Keywords: starvation, lubrication, elliptical contact, traction, minimum film thickness

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Authors: Rajinder Pal Kaur, Amit Sharma, Anuj Kumar Sharma, Govind Prasad Sahu

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The existence of chaos in the marine ecosystems may cause planktonic blooms, disease outbreaks, extinction of some plankton species, or some complex dynamics in oceans, which can adversely affect the sustainable marine ecosystem. The control of the chaotic plankton-fish dynamics is one of the main motives of marine ecologists. In this paper, we have studied the impact of phytoplankton refuge, zooplankton refuge, and fear effect on the chaotic plankton-fish dynamics incorporating phytoplankton, zooplankton, and fish biomass. The fear of fish predation transfers the unpredictable(chaotic) behavior of the plankton system to a stable orbit. The defense mechanism developed by prey species due to fear of the predator population can also terminate chaos from the given dynamics. Moreover, the impact of external disturbances like seasonality, noise, periodic fluctuations, and time delay on the given chaotic plankton system has also been discussed. We have applied feedback mechanisms to control the complexity of the system through the parameter noise. The non-feedback schemes are implemented to observe the role of seasonal force, periodic fluctuations, and time delay in suppressing the given chaotic system. Analytical results are substantiated by numerical simulation.

Keywords: plankton, chaos, noise, seasonality, fluctuations, fear effect, prey refuge

Procedia PDF Downloads 89

Authors: B. Paygozar, S.A. Dizaji

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Adhesive bonding is a highly valued type of fastening mechanical parts in complex structures, where joining some simple components is always needed. This method is of several merits, such as uniform stress distribution, appropriate bonding strength, and fatigue performance, and lightness, thereby outweighing other sorts of bonding methods. This study is to investigate the failure load of adhesive single-strap joints, including adherends of different sizes and materials. This kind of adhesive joint is very practical in different industries, especially when repairing the existing joints or attaching substrates of dissimilar materials. In this research, experimentally validated numerical analyses carried out in a commercial finite element package, ABAQUS, are utilized to extract the failure loads of the joints, based on the cohesive zone model. In addition, the stress analyses of the substrates are performed in order to acquire the effects of lowering the thickness of the substrates on the stress distribution inside them to avoid designs suffering from the necking or failure of the adherends. It was found out that this method of bonding is really feasible in joining dissimilar materials which can be utilized in a variety of applications. Moreover, the stress analyses indicated the minimum thickness for the adherends so as to avoid the failure of them.

Keywords: cohesive zone model, dissimilar materials, failure load, single strap joint

Procedia PDF Downloads 127

Authors: Rui Chen, Shu-min Zhou, Xiong-jie Zhang, Ren-bo Wang, Fan Huang, Bin Tang

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During the temperature changes in reactor core, the nuclide cross section in reactor can vary with temperature, which eventually causes the changes of reactivity. To simulate the interaction between incident neutron and various materials at different temperatures on the nose, it is necessary to generate all the relevant reaction temperature-dependent cross section. Traditionally, the real time cross section generation method is used to avoid storing huge data but contains severe problems of low efficiency and adaptability for narrow energy region. Focused on the research on multi-temperature cross sections generation in real time during in neutron transport, this paper investigated the on-the-fly cross section generation method for resolved resonance region, thermal region and unresolved resonance region, and proposed the real time multi-temperature cross sections generation method based on double-exponential formula for resolved resonance region, as well as the Neville interpolation for thermal and unresolved resonance region. To prove the correctness and validity of multi-temperature cross sections generation based on wide energy region of incident neutron, the proposed method was applied in critical safety benchmark tests, which showed the capability for application in reactor multi-physical coupling simulation.

Keywords: cross section, neutron transport, numerical simulation, on-the-fly

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Authors: Arnab Adhikari, Adrija Majumdar, Gaurav Gupta, Arnab Bisi

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Team formation plays an instrumental role in the sports like cricket. Existing literature reveals that most of the works on player selection focus only on the players’ efficiency and ignore the consistency. It motivates us to design an improved player selection method based on both player’s efficiency and consistency. To measure the players’ efficiency measurement, we employ a modified data envelopment analysis (DEA) technique namely ‘super-efficient DEA model’. We design a modified consistency index based on semi variance approach. Here, we introduce a new parameter called ‘fitness index’ for consistency computation to assess a player’s fitness level. Finally, we devise a single performance score using both efficiency score and consistency score with the help of a linear programming model. To test the robustness of our method, we perform a rigorous numerical analysis to determine the all-time best One Day International (ODI) Cricket XI. Next, we conduct extensive comparative studies regarding efficiency scores, consistency scores, selected team between the existing methods and the proposed method and explain the rationale behind the improvement.

Keywords: decision support systems, sports, super-efficient data envelopment analysis, semi variance approach

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Authors: Zainab A. Bu Sinnah, David I. Graham

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The Lattice Boltzmann Method has been developed and used to simulate both steady and unsteady fluid flow problems such as turbulent flows, multiphase flow and flows in the vascular system. As an example, the study of blood flow and its properties can give a greater understanding of atherosclerosis and the flow parameters which influence this phenomenon. The blood flow in the vascular system is driven by a pulsating pressure gradient which is produced by the heart. As a very simple model of this, we simulate plane channel flow under periodic forcing. This pulsatile flow is essentially the standard Poiseuille flow except that the flow is driven by the periodic forcing term. Moment boundary conditions, where various moments of the particle distribution function are specified, are applied at solid walls. We used a second-order single relaxation time model and investigated grid convergence using two distinct approaches. In the first approach, we fixed both Reynolds and Womersley numbers and varied relaxation time with grid size. In the second approach, we fixed the Womersley number and relaxation time. The expected second-order convergence was obtained for the second approach. For the first approach, however, the numerical method converged, but not necessarily to the appropriate analytical result. An explanation is given for these observations.

Keywords: Lattice Boltzmann method, single relaxation time, pulsatile flow, moment based boundary condition

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Authors: M. M. Hassani, S. Ammann, F. K. Wittel, P. Niemz, H. J. Herrmann

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Application of engineered wood, especially in the form of glued-laminated timbers has increased significantly. Recent progress in plywood made of high strength and high stiffness hardwoods, like European beech, gives designers in general more freedom by increased dimensional stability and load-bearing capacity. However, the strong hygric dependence of basically all mechanical properties renders many innovative ideas futile. The tendency of hardwood for higher moisture sorption and swelling coefficients lead to significant residual stresses in glued-laminated configurations, cross-laminated patterns in particular. These stress fields cause initiation and evolution of cracks in the bond-lines resulting in: interfacial de-bonding, loss of structural integrity, and reduction of load-carrying capacity. Subsequently, delamination of glued-laminated timbers made of hardwood elements can be considered as the dominant failure mechanism in such composite elements. In addition, long-term creep and mechano-sorption under changing environmental conditions lead to loss of stiffness and can amplify delamination growth over the lifetime of a structure even after decades. In this study we investigate the delamination process of adhesively bonded hardwood (European beech) elements subjected to changing climatic conditions. To gain further insight into the long-term performance of adhesively bonded elements during the design phase of new products, the development and verification of an authentic moisture-dependent constitutive model for various species is of great significance. Since up to now, a comprehensive moisture-dependent rheological model comprising all possibly emerging deformation mechanisms was missing, a 3D orthotropic elasto-plastic, visco-elastic, mechano-sorptive material model for wood, with all material constants being defined as a function of moisture content, was developed. Apart from the solid wood adherends, adhesive layer also plays a crucial role in the generation and distribution of the interfacial stresses. Adhesive substance can be treated as a continuum layer constructed from finite elements, represented as a homogeneous and isotropic material. To obtain a realistic assessment on the mechanical performance of the adhesive layer and a detailed look at the interfacial stress distributions, a generic constitutive model including all potentially activated deformation modes, namely elastic, plastic, and visco-elastic creep was developed. We focused our studies on the three most common adhesive systems for structural timber engineering: one-component polyurethane adhesive (PUR), melamine-urea-formaldehyde (MUF), and phenol-resorcinol-formaldehyde (PRF). The corresponding numerical integration approaches, with additive decomposition of the total strain are implemented within the ABAQUS FEM environment by means of user subroutine UMAT. To predict the true stress state, we perform a history dependent sequential moisture-stress analysis using the developed material models for both wood substrate and adhesive layer. Prediction of the delamination process is founded on the fracture mechanical properties of the adhesive bond-line, measured under different levels of moisture content and application of the cohesive interface elements. Finally, we compare the numerical predictions with the experimental observations of de-bonding in glued-laminated samples under changing environmental conditions.

Keywords: engineered wood, adhesive, material model, FEM analysis, fracture mechanics, delamination

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Authors: W. H. Zheng, J. Li, F. J. Hong

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Thin liquid film evaporation in ultrathin nanoporous membranes, which reduce the viscous resistance while still maintaining high capillary pressure and efficient liquid delivery, is a promising thermal management approach for high-power electronic devices cooling. Given the challenges and technical limitations of experimental studies for accurate interface temperature sensing, complex manufacturing process, and short duration of membranes, a dimensionless lattice Boltzmann method capable of restoring thermophysical properties of working fluid is particularly derived. The evaporation of R134a to its pure vapour ambient in nanoporous membranes with the pore diameter of 80nm, thickness of 472nm, and three porosities of 0.25, 0.33 and 0.5 are numerically simulated. The numerical results indicate that the highest heat transfer coefficient is about 1740kW/m²·K; the highest heat flux is about 1.49kW/cm² with only about the wall superheat of 8.59K in the case of porosity equals to 0.5. The dissipated heat flux scaled with porosity because of the increasing effective evaporative area. Additionally, the self-regulation of the shape and curvature of the meniscus under different operating conditions is also observed. This work shows a promising approach to forecast the membrane performance for different geometry and working fluids.

Keywords: high heat flux, ultrathin nanoporous membrane, thin film evaporation, lattice Boltzmann method

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Authors: Ashwin Bala, K. Panthalaraja Kumaran, S. Prithviraj, R. Pradeep, J. Udhayakumar, S. Ajith

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In this paper, studies have been carried out for an in-house design of a waste heat recovery system for effectively utilizing the domestic air conditioner heat energy for producing hot water. Theoretical studies have been carried to optimizing the flow rate for getting maximum output with a minimum size of the heater. Critical diameter, wall thickness, and total length of the water pipeline have been estimated from the conventional heat transfer model. Several combinations of pipeline shapes viz., spiral, coil, zigzag wound through the radiator has been attempted and accordingly shape has been optimized using heat transfer analyses. The initial condition is declared based on the water flow rate and temperature. Through the parametric analytical studies we have conjectured that water flow rate, temperature difference between incoming water and radiator skin temperature, pipe material, radiator material, geometry of the water pipe viz., length, diameter, and wall thickness are having bearing on the lucrative design of a waste heat recovery system for air conditioners. Results generated through the numerical studies have been validated using an in-house waste heat recovery system for air conditioners.

Keywords: air conditioner design, energy conversion system, radiator design for energy recovery systems, waste heat recovery system

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Authors: Gustavo J. Costa, Felipe J. Costa, Bruno L. Coelho, Ronaldo L. Cardoso, Rafael O. Santos, Israel S. Rêgo, Marco A. S. Minucci, Antonio C. Oliveira, Paulo G. P. Toro

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The Prof. Henry T. Nagamatsu Aerothermodynamics and Hipersonics Laboratory, of the Institute for Advanced Studies (IEAv) conducts research and development (R&D) of the Technological Demonstrator scramjet 14-X S, aiming atmospheric flight at 30 km altitude with the speed correspondent to Mach number 7, using scramjet technology providing hypersonic propulsion system based on supersonic combustion. Hypersonic aerospace vehicles with air-breathing supersonic propulsion system face extremal environments for super/hypersonic flights in terms of thermal and aerodynamic loads. Thus, it is necessary to use aerodynamic protection at the scramjet engine inlet to face the thermal and aerodynamic loads without compromising the efficiency of scramjet engine, taking into account: i) inlet design (boundary layer, oblique shockwave and reflected oblique shockwave); ii) wall temperature of the cowl and of the compression ramp; iii) supersonic flow into the combustion chamber. The aerodynamic protection of the scramjet engine inlet will act to prevent the engine unstart and match the predictions made by theoretical-analytical, numerical analysis and experimental research, during the atmospheric flight of the Technological Demonstrator scramjet 14-X S.

Keywords: 14-X, hypersonic, scramjet, supersonic combustion

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Authors: Augustus K. Lebechi, Kenneth I. Ozoemena

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Rechargeable zinc-air batteries (RZABs) have been described as one of the most viable next-generation ‘beyond-the-lithium-ion’ battery technologies with great potential for renewable energy storage. It is safe, with a high specific energy density (1086 Wh/kg), environmentally benign, and low-cost, especially in resource-limited African countries. For widespread commercialization, the sluggish oxygen reaction kinetics pose a major challenge that impedes the reversibility of the system. Hence, there is a need for low-cost and highly active bifunctional electrocatalysts. Manganese oxide catalysts on carbon conducting additives remain the best couple for the realization of such low-cost RZABs. In this work, hausmannite Mn₃O₄ nanoparticles were synthesized through the annealing method from commercial electrolytic manganese dioxide (EMD), multi-walled carbon nanotubes (MWCNTs) were synthesized via the chemical vapor deposition (CVD) method and carbon nanofibers (CNFs) were synthesized via the electrospinning process with subsequent carbonization. Both Mn₃O₄ catalysts and the carbon conducting additives (MWCNT and CNF) were thoroughly characterized using X-ray powder diffraction spectroscopy (XRD), scanning electron microscopy (SEM), thermogravimetry analysis (TGA) and X-ray photoelectron spectroscopy (XPS). Composite electrocatalysts (Mn₃O₄/CNT and Mn₃O₄/CNF) were investigated for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) in an alkaline medium. Using the established electrocatalytic modalities for evaluating the electrocatalytic performance of materials (including double layer, electrochemical active surface area, roughness factor, specific current density, and catalytic stability), CNFs proved to be the most efficient conducting additive material for the Mn₃O₄ catalyst. From the DFT calculations, the higher performance of the CNFs over the MWCNTs is related to the ability of the CNFs to allow for a more favorable distribution of the d-electrons of the manganese (Mn) and enhanced synergistic effect with Mn₃O₄ for weaker adsorption energies of the oxygen intermediates (O*, OH* and OOH*). In a proof-of-concept, Mn₃O₄/CNF was investigated as the air cathode for rechargeable zinc-air battery (RZAB) in a micro-3D-printed cell configuration. The RZAB showed good performance in terms of open circuit voltage (1.77 V), maximum power density (177.5 mW cm-2), areal-discharge energy and cycling stability comparable to Pt/C (20 wt%) + IrO2. The findings here provide fresh physicochemical perspectives on the future design and utility of CNFs for developing manganese-based RZABs.

Keywords: bifunctional electrocatalyst, oxygen evolution reaction, oxygen reduction reactions, rechargeable zinc-air batteries.

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Authors: Mehdi Modabberifar, Milad Roodi, Ehsan Souri

Abstract:

In recent years, honeycomb fiber reinforced plastic (FRP) sandwich panels have been increasingly used in various industries. Low weight, low price, and high mechanical strength are the benefits of these structures. However, their mechanical properties and behavior have not been fully explored. The objective of this study is to conduct a combined numerical-statistical investigation of honeycomb FRP sandwich beams subject to torsion load. In this paper, the effect of geometric parameters of the sandwich panel on the maximum shear strain in both face and core and angle of torsion in a honeycomb FRP sandwich structures in torsion is investigated. The effect of Parameters including core thickness, face skin thickness, cell shape, cell size, and cell thickness on mechanical behavior of the structure were numerically investigated. Main effects of factors were considered in this paper and regression equations were derived. Taguchi method was employed as experimental design and an optimum parameter combination for the maximum structure stiffness has been obtained. The results showed that cell size and face skin thickness have the most significant impacts on torsion angle, maximum shear strain in face and core.

Keywords: finite element, honeycomb FRP sandwich panel, torsion, civil engineering

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Authors: Michael Dreyfuss, Yahel Giat

Abstract:

Limited battery range and long recharging times are the greatest obstacles to the successful adoption of electric cars. One of the suggestions to overcome these problems is that carmakers retain ownership of batteries and provide battery swapping service so that customers exchange their depleted batteries for recharged batteries. Motivated by this example, we consider the problem of optimal spares allocation in an exchangeable-item, multi-location repair system. We generalize the standard service measures of fill rate and average waiting time to reflect the fact that customers penalize the service provider only if they have to wait more than a ‘tolerable’ time window. These measures are denoted as the window fill rate and the truncated waiting time, respectively. We find that the truncated waiting time is convex and therefore a greedy algorithm solves the spares allocation problem efficiently. We show that the window fill rate is generally S-shaped and describe an efficient algorithm to find a near-optimal solution and detail a priori and a posteriori upper bounds to the distance from optimum. The theory is complemented with a large scale numerical example demonstrating the spare battery allocation in battery swapping stations.

Keywords: convex-concave optimization, exchangeable item, M/G/infinity, multiple location, repair system, spares allocation, window fill rate

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Authors: Abbasali Abouei Mehrizi, Hamid Hassanzadeh Afrouzi

Abstract:

Reducing the drag force increases the efficiency of the aircraft and its better performance. Flow control methods delay the phenomenon of flow separation and consequently reduce the reversed flow phenomenon in the separation region and enhance the performance of the lift force while decreasing the drag force and thus improving the aircraft efficiency. Flow control methods can be divided into active and passive types. The use of synthetic jets actuator (SJA) used in this study for NACA GA (W) -2 airfoil is one of the active flow control methods to prevent stall phenomenon on the airfoil. In this research, the relevant airfoil in different angles of attack with and without jets has been compared by OpenFOAM. Also, after achieving the proper SJA position on the airfoil suction surface, the simultaneous effect of two SJAs has been discussed. It was found to have the best effect at 12% chord (C), close to the airfoil’s leading edge (LE). At 12% chord, SJA decreases the drag significantly with increasing lift, and also, the average lift increase was higher than other situations and was equal to 10.4%. The highest drag reduction was about 5% in SJA=0.25C. Then, due to the positive effects of SJA in the 12% and 25% chord regions, these regions were considered for applying dual jets in two post-stall angles of attack, i.e., 16° and 22°.

Keywords: active and passive flow control methods, computational fluid dynamics, flow separation, synthetic jet

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Authors: N. Guo, C. Xu, Z. C. Yang

Abstract:

In order to ensure the high reliability of an aircraft, the accurate structural dynamics analysis has become an indispensable part in the design of an aircraft structure. Therefore, the structural finite element model which can be used to accurately calculate the structural dynamics and their transfer relations is the prerequisite in structural dynamic design. A dynamic finite element model updating method is presented to correct the uncertain parameters of the finite element model of a structure using measured modal parameters. The coordinate modal assurance criterion is used to evaluate the correlation level at each coordinate over the experimental and the analytical mode shapes. Then, the weighted summation of the natural frequency residual and the coordinate modal assurance criterion residual is used as the objective function. Moreover, the hybrid pattern search (HPS) optimization technique, which synthesizes the advantages of pattern search (PS) optimization technique and genetic algorithm (GA), is introduced to solve the dynamic FE model updating problem. A numerical simulation and a model updating experiment for GARTEUR aircraft model are performed to validate the feasibility and effectiveness of the present dynamic model updating method, respectively. The updated results show that the proposed method can be successfully used to modify the incorrect parameters with good robustness.

Keywords: model updating, modal parameter, coordinate modal assurance criterion, hybrid genetic/pattern search

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

Abstract:

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: Mahmoud F. Awad-Allah, Mohammed Rabeih, Eman Abdel Baseer

Abstract:

Soft to very soft soil deposits are widely speared in some areas of Egypt such as East Port Said, Damietta, Kafr El-Sheik, Alexandria, etc. The construction projects in these areas have faced the challenge of the presence of extended deep layers of soft and very soft clays which reach to depths of 40 to 60 m from the ground level. Stone columns are commonly used to support structures overlying soft ground soils and surcharged by embankment type loading. Therefore, this paper introduces a wide comparison numerical study between the ordinary stone columns (OSC) versus the geosynthetic encased stone columns (ESC) installed in soft clay soil deposit using finite element method (FEM). Parametric study of an embankment on soft soils reinforced with stone columns is performed using commercial computer program based on the finite element technique (PLAXIS 2D). The investigation will present the influence of the following parameters: diameter of stone columns, stiffness of geosynthetic encasement, embedded depth of stone column from ground level, and the length encasement of the stone column on the consolidation time, vertical settlement, and lateral displacement of soft clay soil formations.

Keywords: finite element method, geosynthetic, lateral displacement, settlement, soft clay

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Authors: A. Rifa’i, Y. Takeshita, M. Komatsu

Abstract:

The post-rain puddles problem that occurs in the first yard of Prambanan Temple are often disturbing visitor activity. A poodle layer and a drainage system has ever built to avoid such a problem, but puddles still didn’t stop appearing after rain. Permeability parameter needs to be determined by using more simple procedure to find exact method of solution. The instrument modelling were proposed according to the development of field permeability testing instrument. This experiment used proposed Constant Discharge method. Constant Discharge method used a tube poured with constant water flow. The procedure were carried out from unsaturated until saturated soil condition. Volumetric water content (θ) were being monitored by soil moisture measurement device. The results were relationship between k and θ which drawn by numerical approach Van Genutchen model. Parameters θr optimum value obtained from the test was at very dry soil. Coefficient of permeability with a density of 19.8 kN/m3 for unsaturated conditions was in range of 3 x 10-6 cm/sec (Sr= 68 %) until 9.98 x 10-4 cm/sec (Sr= 82 %). The equipment and testing procedure developed in this research was quite effective, simple and easy to be implemented on determining field soil permeability coefficient value of sandy soil. Using constant discharge method in proposed permeability test, value of permeability coefficient under unsaturated condition can be obtained without establish soil water characteristic curve.

Keywords: constant discharge method, in situ permeability test, sandy soil, unsaturated conditions

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Authors: Wikanda Phaphan

Abstract:

Mixture generalized gamma distribution is a combination of two distributions: generalized gamma distribution and length biased generalized gamma distribution. These two distributions were presented by Suksaengrakcharoen and Bodhisuwan in 2014. The findings showed that probability density function (pdf) had fairly complexities, so it made problems in estimating parameters. The problem occurred in parameter estimation was that we were unable to calculate estimators in the form of critical expression. Thus, we will use numerical estimation to find the estimators. In this study, we presented a new method of the parameter estimation by using the expectation – maximization algorithm (EM), the conjugate gradient method, and the quasi-Newton method. The data was generated by acceptance-rejection method which is used for estimating α, β, λ and p. λ is the scale parameter, p is the weight parameter, α and β are the shape parameters. We will use Monte Carlo technique to find the estimator's performance. Determining the size of sample equals 10, 30, 100; the simulations were repeated 20 times in each case. We evaluated the effectiveness of the estimators which was introduced by considering values of the mean squared errors and the bias. The findings revealed that the EM-algorithm had proximity to the actual values determined. Also, the maximum likelihood estimators via the conjugate gradient and the quasi-Newton method are less precision than the maximum likelihood estimators via the EM-algorithm.

Keywords: conjugate gradient method, quasi-Newton method, EM-algorithm, generalized gamma distribution, length biased generalized gamma distribution, maximum likelihood method

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Authors: Ahmed Hammad, Yehia Abdel-Nasser, Mohamed Shamma

Abstract:

The main configuration of ship construction consists of standard and fabricated stiffening members which are commonly used in shipbuilding such as fabricated T-sections. During the welding process, the non-uniform heating and rapid cooling lead to the inevitable presence of out-of-plane distortion and welding induced residual stresses. Because of these imperfections, the fabricated structural members may not attain their design load to be carried. The removal of these imperfections will require extra man-hours. In the present work, controlling these imperfections has been investigated at both design and fabrication stages. A typical fabricated T-girder is selected to investigate the problem of these imperfections using double-side welding. A numerical simulation based on finite element (FE) modeling has been used to investigate the effect of different parameters of the selected fabricated T-girder such as geometrical properties and welding sequences on the magnitude of welding imperfections. FE results were compared with the results of experimental model of a double-side fillet weld. The present work concludes that: Firstly, in the design stage, the optimum geometry of the fabricated T- girder is determined based on minimum steel weight and out- of- plane distortion. Secondly, in the fabrication stage, the best welding sequence is determined on the basis of minimum welding out- of- plane distortion.

Keywords: fabricated T-girder, FEM, out-of-plane distortion, section modulus, welding residual stresses

Procedia PDF Downloads 128