Search results for: hierarchical structure

Authors: Srilaxmi Gangula, MahaLakshmi Vinukonda, Neeraj Rao

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A wide band polarization insensitive metamaterial absorber with bandwidth enhancement in X and C band is proposed. The structure proposed here consists of a periodic unit cell of resonator arrangements in double layer. The proposed structure shows near unity absorption at frequencies of 6.21 GHz and 10.372 GHz spreading over a bandwidth of 1 GHz and 6.21 GHz respectively in X and C bands. The proposed metamaterial absorber is designed so as to increase the bandwidth. The proposed structure is also independent for TE and TM polarization. Because of its simple implementation, near unity absorption and wide bandwidth this dual band polarization insensitive metamaterial absorber can be used for EMI/EMC applications.

Keywords: absorber, C-band, metamaterial, multilayer, X-band

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Authors: Hireni R. Mankodi, D. J. Chudasama

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The textile preforms play a key role in providing the mechanical properties and gives the idea about selection parameter of preforms to improve the quality and performance of laminates. The main objectives of this work are to study the effect of non-crimp fabric preform structure in final properties of laminates. It has been observed that the multi-axial preform give better mechanical properties of laminates as compared to woven and biaxial fabrics. This study investigated the effect of different non-crimp glass preform structure on tensile strength, bending and compression properties of glass laminates. The different woven, bi-axial and multi-axial fabrics with similar GSM used to manufacture the laminates using polyester resin. The structural and mechanical properties of preform and laminates were studied using standard methods. It has been observed that the glass fabric geometry, including type of weaves, warps and filling density and number of layer plays significant role in deciding mechanical properties of laminates.

Keywords: preform, non-crimp structure, laminates, bi-axial, multiaxial

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Authors: Z. Aziz, S. Terkhi, Y. Sefir, R. Djelti, S. Bentata

Abstract:

The effect of a uniform electric field across multibarrier systems (InAs/InxGa1-xAs) is exhaustively explored by a computational model using exact airy function formalism and the transfer-matrix technique. In the case of biased DFHBSL structure a strong reduction in transmission properties was observed and the width of the miniband structure linearly decreases with the increase of the applied bias. This is due to the confinement of the states in the miniband structure, which becomes increasingly important (Wannier-Stark Effect).

Keywords: dimer fibonacci height barrier superlattices, singular extended state, exact airy function, transfer matrix formalism

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Authors: Daniel Zarzo Montes, Manuel Zarzo Castelló

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Proteins play a fundamental role in biology, but their structure is complex, and it is a challenge for teachers to conceptually explain the differences between their primary, secondary, tertiary, and quaternary structures. On the other hand, there are currently many computer programs to visualize the 3D structure of proteins, but they require advanced training and knowledge. Moreover, it becomes difficult to visualize the sequence of amino acids in these models, and how the protein conformation is reached. Given this drawback, a simple and instructive procedure is proposed in order to teach the protein structure to undergraduate and graduate students. For this purpose, insulin has been chosen because it is a protein that consists of 51 amino acids, a relatively small number. The methodology has consisted of the use of plastic atom models, which are frequently used in organic chemistry and biochemistry to explain the chirality of biomolecules. For didactic purposes, when the aim is to teach the biochemical foundations of proteins, a manipulative system seems convenient, starting from the chemical structure of amino acids. It has the advantage that the bonds between amino acids can be conveniently rotated, following the pattern marked by the 3D models. First, the 51 amino acids were modeled, and then they were linked according to the sequence of this protein. Next, the three disulfide bonds that characterize the stability of insulin have been established, and then the alpha-helix structure has been formed. In order to reach the tertiary 3D conformation of this protein, different interactive models available on the Internet have been visualized. In conclusion, the proposed methodology seems very suitable for biology and biochemistry students because they can learn the fundamentals of protein modeling by means of a manipulative procedure as a basis for understanding the functionality of proteins. This methodology would be conveniently useful for a biology or biochemistry laboratory practice, either at the pre-graduate or university level.

Keywords: protein structure, 3D model, insulin, biomolecule

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Authors: Rianne Voet

Abstract:

This paper uses a literature review to search for keys of success for entrepreneurial regional media collaborations in the Netherlands and elsewhere. It specifies keys on general aspects: a digital-first strategy, innovation, a particular journalistic mission and a new role for the public. It outlines keys in practicalities: competencies, revenue model, legal structure, communication structure and organization structure. The paper elaborates on a new public function and a new concept of citizenship which, according to several authors in the literature, are required in order to be successful. Finally, it offers a model of keys for success in regional entrepreneurial media collaboration.

Keywords: media collaboration, factors of success, keys of success, regional media cooperation

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Authors: G. P. Abdel Rahim, M. María Guadalupe Moreno Armenta, Jairo Arbey Rodriguez

Abstract:

We investigated the structure and electronic properties of the compound Mg1-xBixO with varying concentrations of 0, ¼, ½, and ¾ x bismuth in the the NaCl (rock-salt) and WZ (wurtzite) phases. The calculations were performed using the first-principles pseudo-potential method within the framework of spin density functional theory (DFT). Our calculations predict that for Bi concentrations greater than ~70%, the WZ structure is more favorable than the NaCl one and that for x = 0 (pure MgO), x = 0.25 and x = 0.50 of Bi concentration the NaCl structure is more favorable than the WZ one. For x = 0.75 of Bi, a transition from wurtzite towards NaCl is possible, when the pressure is about 22 GPa. Also It has been observed the crystal lattice constant closely follows Vegard’s law, that the bulk modulus and the cohesion energy decrease with the concentration x of Bi.

Keywords: DFT, Mg1-xBixO, pseudo-potential, rock-salt, wurtzite

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Authors: Kita R. Ashman, Anthony R. Rendall, Matthew R. E. Symonds, Desley A. Whisson

Abstract:

Forest cover is decreasing globally, chiefly due to the conversion of forest to agricultural landscapes. In contrast, the area under plantation forestry is increasing significantly. For wildlife occupying landscapes where native forest is the dominant land cover, plantations generally represent a lower value habitat; however, plantations established on land formerly used for pasture may benefit wildlife by providing temporary forest habitat and increasing connectivity. This study investigates the influence of landscape, site, and climatic factors on koala population density in far south-west Victoria where there has been extensive plantation establishment. We conducted koala surveys and habitat characteristic assessments at 72 sites across three habitat types: plantation, native vegetation blocks, and native vegetation strips. We employed a hierarchical modeling framework for estimating abundance and constructed candidate multinomial N-mixture models to identify factors influencing the abundance of koalas. We detected higher mean koala density in plantation sites (0.85 per ha) than in either native block (0.68 per ha) or native strip sites (0.66 per ha). We found five covariates of koala density and using these variables, we spatially modeled koala abundance and discuss factors that are key in determining large-scale distribution and density of koala populations. We provide a distribution map that can be used to identify high priority areas for population management as well as the habitat of high conservation significance for koalas. This information facilitates the linkage of ecological theory with the on-ground implementation of management actions and may guide conservation planning and resource management actions to consider overall landscape configuration as well as the spatial arrangement of plantations adjacent to the remnant forest.

Keywords: abundance modelling, arboreal mammals plantations, wildlife conservation

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Authors: Zahra A. Al Nasser, Domenico Campa

Abstract:

This paper investigates board of directors and firms’ ownership structure on non-financial companies listed in Gulf Cooperation council (GCC) countries using data from 2009 to 2013. The overall result of the study is that board size and board meeting have increased over years. Additionally, all combined committee variables have improved as well as audit committee size, audit committee meeting and audit committee experience have improved over the years. Furthermore, Oman is the only country that has not shown any statistically significant change in value of its associated variables.

Keywords: corporate governance, GCC countries, board of directors, ownership structure

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Authors: Kyoung-Il Do, Jun-Geol Park, Hee-Guk Chae, Jeong-Yun Seo, Yong-Seo Koo

Abstract:

A SCR stacking structure is proposed to have improved Latch-up immunity. In comparison with conventional SCR (Silicon Controlled Rectifier), the proposed Electrostatic Discharge (ESD) protection circuit has a lower trigger characteristic by using the LVTSCR (Low Voltage Trigger) structure. Also the proposed ESD protection circuit has improved Holding Voltage Characteristic by using N-stack technique. These characteristics enable to have latch-up immunity in operating conditions. The simulations are accomplished by using the Synopsys TCAD. It has a trigger voltage of 8.9V and a holding voltage of 1.8V in a single structure. And when applying the stack technique, 2-stack has the holding voltage of 3.8V and 3-stack has the holding voltage of 5.1 V.

Keywords: electrostatic discharge (ESD), low voltage trigger silicon controlled rectifier (LVTSCR), MVTSCR, power clamp, silicon controlled rectifier (SCR), latch-up

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Authors: I. V. Pinto, M. R. Sooriyarachchi

Abstract:

It can be frequently observed that the data arising in our environment have a hierarchical or a nested structure attached with the data. Multilevel modelling is a modern approach to handle this kind of data. When multilevel modelling is combined with a binary response, the estimation methods get complex in nature and the usual techniques are derived from quasi-likelihood method. The estimation methods which are compared in this study are, marginal quasi-likelihood (order 1 & order 2) (MQL1, MQL2) and penalized quasi-likelihood (order 1 & order 2) (PQL1, PQL2). A statistical model is of no use if it does not reflect the given dataset. Therefore, checking the adequacy of the fitted model through a goodness-of-fit (GOF) test is an essential stage in any modelling procedure. However, prior to usage, it is also equally important to confirm that the GOF test performs well and is suitable for the given model. This study assesses the suitability of the GOF test developed for binary response multilevel models with respect to the method used in model estimation. An extensive set of simulations was conducted using MLwiN (v 2.19) with varying number of clusters, cluster sizes and intra cluster correlations. The test maintained the desirable Type-I error for models estimated using PQL2 and it failed for almost all the combinations of MQL. Power of the test was adequate for most of the combinations in all estimation methods except MQL1. Moreover, models were fitted using the four methods to a real-life dataset and performance of the test was compared for each model.

Keywords: goodness-of-fit test, marginal quasi-likelihood, multilevel modelling, penalized quasi-likelihood, power, quasi-likelihood, type-I error

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Authors: Kaouther Selmi, Alaeddine Sridi, Mohamed Bouallegue, Kais Bouallegue

Abstract:

Neurons are the fundamental units of the brain and the nervous system. The variable structure model of neurons consists of a system of differential equations with various parameters. By optimizing these parameters, we can create a unique model that describes the dynamic behavior of a single neuron. We introduce a neural network based on neurons with multiple dendrites employing an activation function with a variable structure. In this paper, we present a model for heart behavior. Finally, we showcase our successful simulation of the heart's ECG diagram using our Variable Structure Neuron Model (VSMN). This result could provide valuable insights into cardiology.

Keywords: neural networks, neuron, dendrites, heart behavior, ECG

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Authors: Mohamad Saberi, Arash Sohrabi

Abstract:

Tuned liquid damper is one the passive structural control ways which has been used since mid-1980 decade for seismic control in civil engineering. This system is made of one or many tanks filled with fluid, mostly water that installed on top of the high raised structure and used to prevent structure vibration. In this article we will show how to make seismic table contain TLD system and analysis the result of using this system in our structure. Results imply that when frequency ratio approaches 1 this system can perform its best in both dissipate energy and increasing structural damping. And also results of these serial experiments are proved compatible with Hunzer linear theory behaviour.

Keywords: TLD, seismic table, structural system, Hunzer linear behaviour

Procedia PDF Downloads 357

Authors: Sourabh R. Dinde, Rajshekar S. Talikoti

Abstract:

According to the structural point of view Industrial Pallet rack structure can be considered typical steel framed structure. This work presents a general analysis of an industrial pallet rack structure, evaluating the influence of each of the components on the global stability. An analytical study for the sensitivity of pallet rack configuration in linear static equivalent lateral loads. The aim is to braced/unbraced frames were design and their analytical models are to be built in software. The finite element analysis is used to determine axial forces in beam and column, maximum storey displacement and buckling loads on braced/unbraced pallet rack structure. Bracing systems are mostly provided to enhance the stiffness factor of the structures with the seismic loads. Unbraced systems have mostly translational modes of failure and are very flexible due to excessive loads.

Keywords: buckling capacity, cold formed steel, finite element analysis, pallets Rrack, seismic design

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Authors: Qiyao Han, Xianhai Meng

Abstract:

Urban infrastructures refer to the fundamental facilities and systems that serve cities. Due to the global climate change and human activities in recent years, many urban areas around the world are facing enormous challenges from natural and man-made disasters, like flood, earthquake and terrorist attack. For this reason, urban resilience to disasters has attracted increasing attention from researchers and practitioners. Given the complexity of infrastructure systems and the uncertainty of disasters, this paper suggests that studies of resilience could focus on urban functional sustainability (in social, economic and environmental dimensions) supported by infrastructure systems under disturbance. It is supposed that urban infrastructure systems with high resilience should be able to reconfigure themselves without significant declines in critical functions (services), such as primary productivity, hydrological cycles, social relations and economic prosperity. Despite that some methods have been developed to integrate the resilience and sustainability of individual infrastructure components, more work is needed to enable system-level integration. This research presents a conceptual analysis framework for integrating resilience and sustainability based on fractal theory. It is believed that the ability of an ecological system to maintain structure and function in face of disturbance and to reorganize following disturbance-driven change is largely dependent on its self-similar and hierarchical fractal structure, in which cross-scale resilience is produced by the replication of ecosystem processes dominating at different levels. Urban infrastructure systems are analogous to ecological systems because they are interconnected, complex and adaptive, are comprised of interconnected components, and exhibit characteristic scaling properties. Therefore, analyzing resilience of ecological system provides a better understanding about the dynamics and interactions of infrastructure systems. This paper discusses fractal characteristics of ecosystem resilience, reviews literature related to system-level infrastructure resilience, identifies resilience criteria associated with sustainability dimensions, and develops a conceptual analysis framework. Exploration of the relevance of identified criteria to fractal characteristics reveals that there is a great potential to analyze infrastructure systems based on fractal. In the conceptual analysis framework, it is proposed that in order to be resilient, urban infrastructure system needs to be capable of “maintaining” and “reorganizing” multi-scale critical functions under disasters. Finally, the paper identifies areas where further research efforts are needed.

Keywords: fractal, urban infrastructure, sustainability, system-level resilience

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Authors: Chul Park, Youngseok Kim, Sangsik Choi

Abstract:

This study developed an electric jig for underwater structure inspection in order to solve the problem of the application of side scan sonar to underwater inspection, and analyzed correlations of empirical data in order to enhance sonar data resolution. For the application of tow-typed sonar to underwater structure inspection, an electric jig was developed. In fact, it was difficult to inspect a cross-section at the time of inspection with tow-typed equipment. With the development of the electric jig for underwater structure inspection, it was possible to shorten an inspection time over 20%, compared to conventional tow-typed side scan sonar, and to inspect a proper cross-section through accurate angle control. The indoor test conducted to enhance sonar data resolution proved that a water depth, the distance from an underwater structure, and a filming angle influenced a resolution and data quality. Based on the data accumulated through field experience, multiple regression analysis was conducted on correlations between three variables. As a result, the relational equation of sonar operation according to a water depth was drawn.

Keywords: underwater structure, SONAR, safety inspection, resolution

Procedia PDF Downloads 239

Authors: Tawanda Mushiri, Charles Mbohwa

Abstract:

The performance of door assembly is very significant for the vehicle design. In the present paper, the finite element method is used in the development processes of the door assembly. The stiffness, strength, modal characteristic, and anti-extrusion of a newly developed passenger vehicle door assembly are calculated and evaluated by several finite element analysis commercial software. The structural problems discovered by FE analysis have been modified and finally achieved the expected door structure performance target of this new vehicle. The issue in focus is to predict the performance of the door assembly by powerful finite element analysis software, and optimize the structure to meet the design targets. It is observed that this method can be used to forecast the performance of vehicle door efficiently when it’s designed. In order to reduce lead time and cost in the product development of vehicles more development will be made virtually.

Keywords: vehicle door, structure, strength, stiffness, modal characteristic, anti-extrusion, Finite Element Method

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Authors: Nana Weng

Abstract:

From 2008, Chinese Foreign Direct Investment flows to the European Union continued its rapid rise. Currently, the industrial structure adjustment in developing countries has also been placed on the international movement of factors of production. Now China economy is in an important period of transformation on industrial structure adjustment. Under the international transfer of industry background, the adjustment of industrial structure upgrading and sophistication are the key elements of a successful economic transformation. In order to achieve a virtuous cycle of foreign investment patterns and optimize the industrial structure of foreign direct investment as well, the research on the positive the role of the EU direct investment and how it impact China’s industrial structure optimization and upgrading is of great significance. In this paper, the author explained how the EU as an investment destination is different with the United States and ASEAN. Then, based on the theory of FDI and industrial structure and combining the four kinds of motives of China’s ODI in EU, this paper explained the impact mechanism which has influenced China domestic industrial structure primarily through the Transfer effect, Correlation effect and Competitive effect. On the premise that FDI activities do affect the home country’s domestic industrial structure, this paper made empirical analysis with industrial panel data. With the help of Gray Correlation Method and Limited Distributed Lags, this paper found that China/s ODI in the EU impacted the tertiary industry strongly and had a significant positive impact, particularly the manufacturing industry and the financial industry. This paper also pointed out that Chinese MNEs should realize several issues, such as pay more attention to high-tech industries so that they can make the best use of reverse technology spillover. When Chinese enterprises ‘go out,' they ought to keep in mind that domestic research and development capital contribution can make greater economic growth. Finally, based on theoretical and empirical analysis results, this paper presents the industry choice recommendations in the future of the EU direct investment, particularly through the development of the proper rational industrial policy and industrial development strategic to guide the industrial restructuring and upgrading.

Keywords: china ODI in european union, industrial structure optimization, impact mechanism, empirical analysis

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Authors: Toshiyuki Miyazaki, Fumihiro Takahashi, Takashi Hosokawa

Abstract:

Fishing nets and floating buoys used in fishing can be washed away by typhoons and storms. The spilled fishing nets become marine debris and hinder the navigation of ships. In this study, we report a method of attaching a retroreflective structure to afloat in order to discover fishing nets using SAR satellites. We prototyped an omnidirectional (all-around) corner reflector as a retroreflective structure that can be mounted on a float and analyzed its reflection characteristics. As a result, it was clarified that the reflection could be sufficiently larger than the backscattering of the sea surface. In order to further improve the performance, we worked on the design and trial production of the Luneberg lens.

Keywords: retroreflective structure, spherical corner reflector, Luneberg lens, SAR satellite, maritime floating buoy

Procedia PDF Downloads 139

Authors: Mohamed Faslan

Abstract:

This paper describes how caste-based differentiation functions among the Southern Muslims of Sri Lanka despite Islamic egalitarian principles. Such differences are not promoted by religious teachings, mosques, or the various Islamic religious denominations. Instead, it underpins a hereditary, hierarchical stratification in social structure. Since Islam is against social stratification and promotes egalitarianism, what are the persuasive social structures that organize the existing caste system among Southern Muslims? To answer this puzzle, this paper discusses and analyses the caste system under these five subsections: ancestry; marriage; geography; mosque ownership or trustees; and occupation. The study of caste in Sri Lanka is generally compartmentalized into separate Sinhala and Tamil systems. Most caste studies have focused on the characteristics, upward mobility, or discrimination of specific castes in relation to other castes within ethnic systems. As an operational definition, in this paper, by “southern” or the south of Sri Lanka, I refer to the Kalutara, Galle and Matara Districts. This research was conducted in these three districts, and the respondents were selected purposively. Community history interviews were used as a tool for collecting information, and grounded theory used for analysis. Caste stratification among the Southern Muslims of Sri Lanka is directly connected to whether they are descended from Arab or South Indian ancestors. Arab ancestors are considered upper caste and South Indian ancestors are considered lower caste. Endogamy is the most serious driving factor keeping caste system functioning among Muslims while the other factors—geography, mosques, and occupations—work as supporting factors.

Keywords: caste, social stratification, Sri Lanka Muslims, endogamy

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Authors: Roumaissa Derdour, Lebbal Mohamed Redha

Abstract:

We present a study of the transmission of the all-optical logic gate using a structure connected with a triangular photonic crystal lattice that is improved. The proposed logic gate consists of a photonic crystal nano-resonator formed by changing the size of the air holes. In addition to the simplicity, the response time is very short, and the designed nano-resonator increases the bit rate of the logic gate. The two-dimensional finite difference time domain (2DFDTD) method is used to simulate the structure; the transmission obtained is about 98% with very negligible losses. The proposed photonic crystal AND logic gate is widely used in future integrated optical microelectronics.

Keywords: logic gates, photonic crystals, optical integrated circuits, resonant cavities

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Authors: Helnaz Soltani, J. N. Reddy

Abstract:

Presence of fluid medium interacting with a structure can lead to failure of the structure. Since developing efficient computational model for fluid-structure interaction (FSI) problems has broader impact to realistic problems encountered in aerospace industry, ship industry, oil and gas industry, and so on, one can find an increasing need to find a method in order to investigate the effect of fluid domain on structural response. A coupled finite element formulation of problems involving FSI issue is an accurate method to predict the response of structures in contact with a fluid medium. This study proposes a finite element approach in order to study the transient response of the structures interacting with a fluid medium. Since beam and plate are considered to be the fundamental elements of almost any structure, the developed method is applied to beams and plates benchmark problems in order to demonstrate its efficiency. The formulation is a combination of the various structure theories and the solid-fluid interface boundary condition, which is used to represent the interaction between the solid and fluid regimes. Here, three different beam theories as well as three different plate theories are considered to model the solid medium, and the Navier-Stokes equation is used as the theoretical equation governed the fluid domain. For each theory, a coupled set of equations is derived where the element matrices of both regimes are calculated by Gaussian quadrature integration. The main feature of the proposed methodology is to model the fluid domain as an added mass; the external distributed force due to the presence of the fluid. We validate the accuracy of such formulation by means of some numerical examples. Since the formulation presented in this study covers several theories in literature, the applicability of our proposed approach is independent of any structure geometry. The effect of varying parameters such as structure thickness ratio, fluid density and immersion depth, are studied using numerical simulations. The results indicate that maximum vertical deflection of the structure is affected considerably in the presence of a fluid medium.

Keywords: beam and plate, finite element analysis, fluid-structure interaction, transient response

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Authors: Luciano Garelli, Marco Schauer, Jorge D’Elia, Mario A. Storti, Sabine C. Langer

Abstract:

This paper discuss a coupling strategy of two different software packages to provide fluid structure interaction (FSI) analysis. The basic idea is to combine the advantages of the two codes to create a powerful FSI solver for two and three dimensional analysis. The fluid part is computed by a program called PETSc-FEM, a software developed at Centro de Investigación de Métodos Computacionales (CIMEC). The structural part of the coupled process is computed by the research code elementary Parallel Solver (elPaSo) of the Technische Universität Braunschweig, Institut für Konstruktionstechnik (IK).

Keywords: computational fluid dynamics (CFD), fluid structure interaction (FSI), finite element method (FEM), software

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Authors: Santhosh A. K.

Abstract:

This work presents an efficient monolithic finite element strategy for solving thermo-fluid-structure interaction problems involving compressible fluids and linear-elastic structure. This formulation uses displacement variables for structure and velocity variables for the fluid, with no additional variables required to ensure traction, velocity, temperature, and heat flux continuity at the fluid-structure interface. Rate of convergence in each time step is quadratic, which is achieved in this formulation by deriving an exact tangent stiffness matrix. The robustness and good performance of the method is ascertained by applying the proposed strategy on a wide spectrum of problems taken from the literature pertaining to steady, transient, two dimensional, axisymmetric, and three dimensional fluid flow and conjugate heat transfer. It is shown that the current formulation gives excellent results on all the case studies conducted, which includes problems involving compressibility effects as well as problems where fluid can be treated as incompressible.

Keywords: linear thermoelasticity, compressible flow, conjugate heat transfer, monolithic FEM

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Authors: Mohamad Saberi, Arash Sohrabi

Abstract:

Tuned liquid damper is one the passive structural control ways which has been used since mid-1980 decade for seismic control in civil engineering. This system is made of one or many tanks filled with fluid, mostly water that installed on top of the high raised structure and used to prevent structure vibration. In this article, we will show how to make seismic table contain TLD system and analysis the result of using this system in our structure. Results imply that when frequency ratio approaches 1 this system can perform its best in both dissipate energy and increasing structural damping. And also results of these serial experiments are proved compatible with Hunzer linear theory behaviour.

Keywords: TLD, seismic table, structural system, Hunzer linear behaviour

Procedia PDF Downloads 310

Authors: Sung-Chul Hwang, Di Ren, Sang-Moon Yoon, Jong-Chun Park, Abbas Khayyer, Hitoshi Gotoh

Abstract:

The slamming impact problem has a very important engineering background. For seaplane landing, recycling for the satellite re-entry capsule, and the impact load of the bow in the adverse sea conditions, the slamming problem always plays the important role. Due to its strong nonlinear effect, however, it seems to be not easy to obtain the accurate simulation results. Combined with the strong interaction between the fluid field and the elastic structure, the difficulty for the simulation leads to a new level for challenging. This paper presents a fully Lagrangian coupled solver for simulations of fluid-structure interactions, which is based on the Moving Particle Semi-implicit (MPS) method to solve the governing equations corresponding to incompressible flows as well as elastic structures. The developed solver is verified by reproducing the high velocity impact loads of deformable thin wedges with two different materials such as aluminum and steel on water entry. The present simulation results are compared with analytical solution derived using the hydrodynamic Wagner model and linear theory by Wan.

Keywords: fluid-structure interaction, moving particle semi-implicit (MPS) method, elastic structure, incompressible flow, wedge slamming impact

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Authors: Virendra Nath, Vipin Kumar

Abstract:

Background: TypeII Diabetes mellitus is a foremost health problem worldwide, predisposing to increased mortality and morbidity. Undesirable effects of the current medications have prompted the researcher to develop more potential drug(s) against the disease. The peroxisome proliferator-activated receptors (PPARs) are members of the nuclear receptors family and take part in a vital role in the regulation of metabolic equilibrium. They can induce or repress genes associated with adipogenesis, lipid, and glucose metabolism. Aims: Investigation of PPARα/γ agonistic hits were screened by hierarchical virtual screening followed by molecular dynamics simulation and knowledge-based structure-activity relation (SAR) analysis using approved PPAR α/γ dual agonist. Methods: The PPARα/γ agonistic activity of compounds was searched by using Maestro through structure-based virtual screening and molecular dynamics (MD) simulation application. Virtual screening of nuclear-receptor ligands was done, and the binding modes with protein-ligand interactions of newer entity(s) were investigated. Further, binding energy prediction, Stability studies using molecular dynamics (MD) simulation of PPARα and γ complex was performed with the most promising hit along with the structural comparative analysis of approved PPARα/γ agonists with screened hit was done for knowledge-based SAR. Results and Discussion: The silicone chip-based approach recognized the most capable nine hits and had better predictive binding energy as compared to the reference drug compound (Tesaglitazar). In this study, the key amino acid residues of binding pockets of both targets PPARα/γ were acknowledged as essential and were found to be associated in the key interactions with the most potential dual hit (ChemDiv-3269-0443). Stability studies using molecular dynamics (MD) simulation of PPARα and γ complex was performed with the most promising hit and found root mean square deviation (RMSD) stabile around 2Å and 2.1Å, respectively. Frequency distribution data also revealed that the key residues of both proteins showed maximum contacts with a potent hit during the MD simulation of 20 nanoseconds (ns). The knowledge-based SAR studies of PPARα/γ agonists were studied using 2D structures of approved drugs like aleglitazar, tesaglitazar, etc. for successful designing and synthesis of compounds PPARγ agonistic candidates with anti-hyperlipidimic potential.

Keywords: computational, diabetes, PPAR, simulation

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Authors: Rajeev Kumar, Angad Singh Kushwaha, Amritanshu Pandey, S. K. Srivastava

Abstract:

Photonic crystals (PCs) have attracted much attention due to its electromagnetic properties and potential applications. In PCs, there is certain range of wavelength where electromagnetic waves are not allowed to pass are called photonic band gap (PBG). A localized defect mode will appear within PBG, due to change in the interference behavior of light, when we create a defect in the periodic structure. We can also create different types of defect structures by inserting or removing a layer from the periodic layered structure in two and three-dimensional PCs. We can design microcavity, waveguide, and perfect mirror by creating a point defect, line defect, and palanar defect in two and three- dimensional PC structure. One-dimensional and two-dimensional PCs with defects were reported theoretically and experimentally by Smith et al.. in conventional photonic band gap structure. In the present paper, we have presented the defect mode tunability in tilted non-graded photonic crystal (NGPC) and linearly graded photonic crystal (LGPC) using lead sulphide (PbS) and titanium dioxide (TiO2) in the infrared region. A birefringent defect layer is created in NGPC and LGPC using potassium titany phosphate (KTP). With the help of transfer matrix method, the transmission properties of proposed structure is investigated for transverse electric (TE) and transverse magnetic (TM) polarization. NGPC and LGPC without defect layer is also investigated. We have found that a photonic band gap (PBG) arises in the infrared region. An additional defect layer of KTP is created in NGPC and LGPC structure. We have seen that an additional transmission mode appers in PBG region. It is due to the addition of defect layer. We have also seen the effect, linear gradation in thickness, angle of incidence, tilt angle, and thickness of defect layer, on PBG and additional transmission mode. We have observed that the additional transmission mode and PBG can be tuned by changing the above parameters. The proposed structure may be used as channeled filter, optical switches, monochromator, and broadband optical reflector.

Keywords: defect modes, graded photonic crystal, photonic crystal, tilt angle

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Authors: Renu Gupta, Ashim K. Pramanik

Abstract:

We report the evolution of structure and magnetic properties in perovskite ruthenates Sr1-xPrxRuO3 (x = 0.0 and 0.1). Our main expectations, to induce the structural modification and change the Ru charge state by Pr doping at Sr site. By the Pr doping on Sr site retains orthorhombic structure while we find a minor change in structural parameters. The SrRuO3 have itinerant type of ferromagnetism with ordering temperature ~160 K. By Pr doping, the magnetic moment decrease and ZFC show three distinct peaks (three transition temperature; TM1, TM2 and TM3). Further analysis of magnetization of both samples, at high temperature follow modified CWL and Pr doping gives Curie temperature ~ 129 K which is close to TM2. Above TM2 to TM3, the inverse susceptibility shows upward deviation from CW behavior, indicating the existence AFM like clustered in this regime. The low-temperature isothermal magnetization M (H) shows moment decreases by Pr doping. The Arrott plot gives spontaneous magnetization (Ms) which also decreases by Pr doping. The evolution of Rhodes-Wohlfarth ratio increases which suggests the FM in this system evolves toward the itinerant type by Pr doping.

Keywords: itinerant ferromagnet, Perovskite structure, Ruthenates, Rhodes-Wohlfarth ratio

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Authors: A. I. Al-Bassam, A. M. El-Nggar

Abstract:

Polycrystalline Cu In I-x GaxSe2 thin films have been fabricated. Some physical properties such as lattice parameters, crystal structure and microstructure of Cu In I-x GaxSe2 were determined using X-ray diffractometry and scanning electron microscopy. X-ray diffraction analysis showed that the films with x ≥ 0.5 have a chalcopyrite structure and the films with x ≤ 0.5 have a zinc blende structure. The lattice parameters were found to vary linearly with composition over a wide range from x = 0 to x =1.0. The variation of lattice parameters with composition was found to obey Vegard's law. The variation of the c/a with composition was also linear. The quality of a wide range of Cu In I-xGaxSe2 thin film absorbers from CuInSe to CuGaSe was evaluated by Photoluminescence (PL) measurements.

Keywords: grain size, polycrystalline, solar cells, lattice parameters

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Authors: Ismael Zamora, Elisabeth Ortega, Tatiana Radchenko, Guillem Plasencia

Abstract:

The structure elucidation based on Mass Spectra (MS) data of unknown substances is an unresolved problem that affects many different fields of application. The recent overview of software available for structure elucidation of small molecules has shown the demand for efficient computational tool that will be able to perform structure elucidation of unknown small molecules and peptides. We developed an algorithm for De-Novo fragment analysis based on MS data that proposes a set of scored and ranked structures that are compatible with the MS and MSMS spectra. Several different algorithms were developed depending on the initial set of fragments and the structure building processes. Also, in all cases, several scores for the final molecule ranking were computed. They were validated with small and middle databases (DB) with the eleven test set compounds. Similar results were obtained from any of the databases that contained the fragments of the expected compound. We presented an algorithm. Or De-Novo fragment analysis based on only mass spectrometry (MS) data only that proposed a set of scored/ranked structures that was validated on different types of databases and showed good results as proof of concept. Moreover, the solutions proposed by Mass Spectrometry were submitted to the prediction of NMR spectra in order to elucidate which of the proposed structures was compatible with the NMR spectra collected.

Keywords: De Novo, structure elucidation, mass spectrometry, NMR

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