Search results for: electronic structure

Authors: Hui-Chuan Lu

Abstract:

In a perfect secret-sharing scheme, a dealer distributes a secret among a set of participants in such a way that only qualified subsets of participants can recover the secret and the joint share of the participants in any unqualified subset is statistically independent of the secret. The access structure of the scheme refers to the collection of all qualified subsets. In a graph-based access structures, each vertex of a graph G represents a participant and each edge of G represents a minimal qualified subset. The average information ratio of a perfect secret-sharing scheme realizing a given access structure is the ratio of the average length of the shares given to the participants to the length of the secret. The infimum of the average information ratio of all possible perfect secret-sharing schemes realizing an access structure is called the optimal average information ratio of that access structure. We study the optimal average information ratio of the access structures based on bipartite graphs. Based on some previous results, we give a bound on the optimal average information ratio for all bipartite graphs of girth at least six. This bound is the best possible for some classes of bipartite graphs using our approach.

Keywords: secret-sharing scheme, average information ratio, star covering, deduction, core cluster

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Authors: Hassan Saffari;, Reza Askari Moghadam

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In modern communication systems, it is highly demanded to achieve high performance with minimal power consumption. Low actuation voltage RF MEMS (Micro-Electro-Mechanical Systems) switches represent a significant advancement in this regard. These switches, with their ability to operate at lower voltages, offer promising solutions for enhancing connectivity while minimizing energy consumption. Microelectromechanical switches are good alternatives for electronic and mechanical switches due to their low insertion loss, high isolation, and fast switching speeds. They have attracted more attention in recent years. Most of the presented RF MEMS switches use electrostatic actuators due to their low power consumption. Low actuation voltage RF MEMS switches are among the important issues that have been investigated in research articles. The actuation voltage can be reduced by different methods. One usually implemented method is low spring constant structures. However, despite their numerous benefits, challenges remain in the widespread adoption of low-actuation voltage RF MEMS switches. Issues related to reliability, durability, and manufacturing scalability need to be addressed to realize their full potential in commercial applications. While overcoming certain challenges, their exceptional performance characteristics and compatibility with miniaturized electronic systems make them a promising choice for next-generation wireless communication and RF applications. In this paper, some previous works that proposed low-voltage actuation RF MEMS switches are investigated and analyzed.

Keywords: RF MEMS switches, low actuation voltage, small spring constant structures, electrostatic actuation

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Authors: Reza Sabbagh, Linda Hasanovich, Aleksey Baldygin, David S. Nobes, Prashant R. Waghmare

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The capillary filling process is significantly important to study for numerous applications such as the under filling of the material in electronic packaging or liquid hydrocarbons seepage through porous structure. The approximation of the fluid being Newtonian, i.e., linear relationship between the shear stress and deformation rate cannot be justified in cases where the extent of non-Newtonian behavior of liquid governs the surface driven transport, i.e., capillarity action. In this study, the capillary action of a non-Newtonian fluid is not only analyzed, but also the modified generalized theoretical analysis for the capillary transport is proposed. The commonly observed three regimes: surface forces dominant (travelling air-liquid interface), developing flow (viscous force dominant), and developed regimes (interfacial, inertial and viscous forces are comparable) are identified. The velocity field along each regime is quantified with Newtonian and non-Newtonian fluid in square shaped vertically oriented channel. Theoretical understanding of capillary imbibition process, particularly in the case of Newtonian fluids, is relied on the simplified assumption of a fully developed velocity profile which has been revisited for developing a modified theory for the capillary transport of non-Newtonian fluids. Furthermore, the development of the velocity profile from the entrance regime to the developed regime, for different power law fluids, is also investigated theoretically and experimentally.

Keywords: capillary, non-Newtonian flow, shadowgraphy, rising velocity

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Authors: Taehyun Kim, Hyunjoo Park, Taehyun Kim

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Since the rapid economic development, Korea has recently entered a period of low growth due to population decline and aging. Due to the urbanization around the metropolitan area and the hollowing of local cities, the ecological capacity of a city is decreasing while ecological footprints are increasing, requiring a compact space plan for maintaining urban functions. The purpose of this study is to analyze the relationship between urban spatial structure and residents' ecological footprints for sustainable spatial planning. To do this, we try to analyze the relationship between intra-urban spatial structure, such as net/gross density and service accessibility, and resident ecological footprints of food, housing, transportation, goods and services through survey and structural equation modeling. The results of the study will be useful in establishing an implementation plan for sustainable development goals (SDGs), especially for sustainable cities and communities (SDG 11) and responsible consumption and production (SDG 12) in the future.

Keywords: ecological footprint, structural equation modeling, survey, sustainability, urban spatial structure

Procedia PDF Downloads 254

Authors: Fouzia Perveen, Rumana Qureshi

Abstract:

The presently studied twelve anticancer drugs are the cytotoxic agents which inhibit the replication of DNA and activity of enzymes involved in DNA replication namely topoisomerase-II, polymerase and helicase and have shown remarkable anticancer activity in clinical trials. In this study, we performed molecular docking studies of twelve antitumor drugs against DNA and DNA enzymes in the presence and absence of ascorbic acid (AA) and developed the quantitative structure-activity relationship (QSAR) model for anticancer activity screening. A number of electronic and steric descriptors were calculated using MOE software package. QSAR was established showing a correlation of binding strength with various physicochemical descriptors. Out of these twelve, eight cytotoxic drugs were tested on Non-Small Cell Lung Cancer cell lines (H-157 and H-1299) in the absence and presence of ascorbic acid and experimental IC50 values were calculated. From the docking studies, binding constants were calculated indicating the strength of drug-DNA and drug-enzyme complex formation and it was correlated to the IC50 values (both experimental and theoretical). These results can offer useful references for directing the molecular design of DNA enzyme inhibitor with improved anticancer activity.

Keywords: ascorbic acid, binding constant, cytotoxic agents, cell culture, DNA, DNA enzymes, molecular docking

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Authors: Mevlüt Burak Dalmış, Kemal Yaman

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In this study, flutter characteristics of cantilever rectangular plate structure under incompressible flow regime are investigated by comparing the results of commercial flutter analysis program ZAERO^© with wind tunnel tests conducted in Ankara Wind Tunnel (ART). A rectangular polycarbonate (PC) plate, 5x125x1000 mm in dimensions, is used for both numerical and experimental investigations. Analysis and test results are very compatible with each other. A comparison between two different solution methods (g and k-method) of ZAERO^© is also done. It is seen that, k-method gives closer result than the other one. However, g-method results are on conservative side and it is better to use conservative results namely g-method results. Even if the modal analysis results are used for the flutter analysis for this simple structure, a modal test should be conducted in order to validate the modal analysis results to have accurate flutter analysis results for more complicated structures.

Keywords: flutter, plate, subsonic flow, wind tunnel

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Authors: Sara Muhammad Elqudah, Vigh László Gergely

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Catastrophic events, such as earthquakes, are sudden, short, and devastating, threatening lives, demolishing futures, and causing huge economic losses. Current seismic analyses and design standards are based on life safety levels where only some residual strength and stiffness are left in the structure leaving it beyond economical repair. Consequently, it has become necessary to introduce and implement the concept of resilient design. Resilient design is about designing for ductility over time by resisting, absorbing, and recovering from the effects of a hazard in an appropriate and efficient time manner while maintaining the functionality of the structure in the aftermath of the incident. Resilient analysis is mainly based on the fragility, vulnerability, and functionality curves where eventually a resilience index is generated from these curves, and the higher this index is, the better is the performance of the structure. In this paper, seismic performances of a simple two story reinforced concrete building, located in a moderate seismic region, has been evaluated using the conventional seismic analyses methods, which are the linear static analysis, the response spectrum analysis, and the pushover analysis, and the generated results of these analyses methods are compared to those of the resilient analysis. Results highlight that the resilience analysis was the most convenient method in generating a more ductile and functional structure from a socio-economic perspective, in comparison to the standard seismic analysis methods.

Keywords: conventional analysis methods, functionality, resilient analysis, seismic performance

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Authors: Guanhao Tong, Li Li, Ben David

Abstract:

This study aims to provide an explanatory account of how the leisure tourist experience emerges from tourists and their surroundings through a critical realist lens. This was achieved by applying Archer’s realist social theory as the underlying theoretical ground to unpack the interplays between the external (tourism system or structure) and the internal (tourists or agency). This theory argues that social phenomena can be analyzed in three domains - structure, agency, and culture (SAC), and along three phases – structure conditioning, sociocultural interactions, and structure elaboration. From the realist perspective, the world is an open system; events and discourses are irreducible to present individuals and collectivities. Therefore, identifying the processes or mechanisms is key to help researchers understand how social reality is brought about. Based on the contextual nature of the tourist experience, the research focuses on Chinese tourists (from mainland China) to London as a destination and British culture conveyed through the concept of the destination image. This study uses an intensive approach based on Archer’s M/M approach to discover the mechanisms/processes of the emergence of the tourist experience. Individual interviews were conducted to reveal the underlying causes of lived experiences of the tourists. Secondary data was also collected to understand how British destinations are portrayed to Chinese tourists.

Keywords: Chinese tourists, destination image, M/M approach, realist social theory, social mechanisms, tourist experience

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Authors: Ons Triki, Fathi Abid

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Along with the increase in the use of leasing contracts in corporate finance, multiple studies aim to model the credit risk of the lease in order to cover the losses of the lessor of the asset if the lessee goes bankrupt. In the current research paper, a convertible lease contract is elaborated in a continuous time stochastic universe aiming to ensure the financial stability of the firm and quickly recover the losses of the counterparties to the lease in case of default. This work examines the term structure of the lease rates taking into account the credit default risk and the capital structure of the firm. The interaction between the lessee's capital structure and the equilibrium lease rate has been assessed by applying the competitive lease market argument developed by Grenadier (1996) and the endogenous structural default model set forward by Leland and Toft (1996). The cumulative probability of default was calculated by referring to Leland and Toft (1996) and Yildirim and Huan (2006). Additionally, the link between lessee credit risk and lease rate was addressed so as to explore the impact of convertible lease financing on the term structure of the lease rate, the optimal leverage ratio, the cumulative default probability, and the optimal firm value by applying an endogenous conversion threshold. The numerical analysis is suggestive that the duration structure of lease rates increases with the increase in the degree of the market price of risk. The maximal value of the firm decreases with the effect of the optimal leverage ratio. The results are indicative that the cumulative probability of default increases with the maturity of the lease contract if the volatility of the asset service flows is significant. Introducing the convertible lease contract will increase the optimal value of the firm as a function of asset volatility for a high initial service flow level and a conversion ratio close to 1.

Keywords: convertible lease contract, lease rate, credit-risk, capital structure, default probability

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Authors: Rifqi Irvansyah, Abdullah Abdullah, Yunita Idris, Bunga Raihanda

Abstract:

Banda Aceh is particularly susceptible to heightened vulnerability during natural disasters due to its concentrated exposure to multi-hazard risks. Despite urgent priorities during the aftermath of natural disasters, such as the 2004 Indian Ocean earthquake and tsunami, several public facilities, including school buildings, sustained damage yet continued operations without adequate repairs, even though they were submerged by the tsunami. This research aims to evaluate the consequences of column damage induced by tsunami inundation on the structural integrity of buildings. The investigation employs interaction diagrams for columns to assess their capacity, taking into account factors such as rebar deterioration and corrosion. The analysis result shows that one-fourth of the K1 columns on the first floor fall outside of the column interaction diagram, indicating that the column structure cannot handle the load above it, as evidenced by the presence of Pu and Mu, which are greater than the column's design strength. This suggests that the five columns of K1 should be cause for concern, as the column's capacity is decreasing. These results indicate that the structure of the building cannot sustain the applied load because the column cross-section has deteriorated. In contrast, all K2 columns meet the design strength, indicating that the column structure can withstand the structural loads.

Keywords: tsunami inundation, column damage, column interaction diagram, mitigation effort

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Authors: Aimad Koulali

Abstract:

Flow structure evolution around a single pair of Delta vortex generators (VGs) is studied numerically. For laminar, transient, and turbulent flow regimes, numerical simulations have been performed in a duct with a pair of Delta vortex generators. The finiteelementmethodwasused to simulate the flow. To formulate the fluid structure interaction problem, the ALE formulation was used. The aim of this study is to provide a detailed insight into the generation and dissipation of longitudinal vortices over a wide range of flow regimes, including the laminar-turbulent transition. A wide range of parameters has been exploited to describe the inducedphenomenawithin the flow. Weexaminedvariousparametersdepending on the VG geometry, the flow regime, and the channel geometry. A detailed analysis of the turbulence and wall shear stress properties has been evaluated. The results affirm that there are still optimal values to obtain better performing vortices in order to improve the exchange performance.

Keywords: finte element method, deformable vortex generator, numerical analysis, fluid structure interaction, ALE formlation, turbulent flow

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Authors: A. Abdikian

Abstract:

A quantum breathing mode has been theatrically studied in quantum dusty plasma. By using linear quantum hydrodynamic model, not only the quantum dispersion relation of rotation mode but also void structure has been derived in the presence of an external magnetic field. Although the phase velocity of the magnetized quantum breathing mode is greater than that of unmagnetized quantum breathing mode, attenuation of the magnetized quantum breathing mode along radial distance seems to be slower than that of unmagnetized quantum breathing mode. Clearly, drawing the quantum breathing mode in the presence and absence of a magnetic field, we found that the magnetic field alters the distribution of dust particles and changes the radial and azimuthal velocities around the axis. Because the magnetic field rotates the dust particles and collects them, it could compensate the void structure.

Keywords: the linear quantum hydrodynamic model, the magnetized quantum breathing mode, the quantum dispersion relation of rotation mode, void structure

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Authors: Jung-Ho Moon, Tae Kwon Ha

Abstract:

M2 steels, the typical Co-free high speed steel (HSS) possessing hardness level of 63~65 HRc, are most widely used for cutting tools. On the other hand, Co-containing HSS’s, such as M35 and M42, show a higher hardness level of 65~67 HRc and used for high quality cutting tools. In the fabrication of HSS’s, it is very important to control cleanliness and eutectic carbide structure of the ingot and it is required to increase productivity at the same time. Production of HSS ingots includes a variety of processes such as casting, electro-slag remelting (ESR), forging, blooming, and wire rod rolling processes. In the present study, electro-slag rapid remelting (ESRR) process, an advanced ESR process combined by continuous casting, was successfully employed to fabricate HSS billets of M2, M35, and M42 steels. Distribution and structure of eutectic carbides of the billets were analysed and cleanliness, hardness, and composition profile of the billets were also evaluated.

Keywords: high speed tool steel, eutectic carbide, microstructure, hardness, fracture toughness

Procedia PDF Downloads 435

Authors: C. M. Choi, H. C. Tsang, W. K. Fong, Y. K. Cheng, T. K. Chui, L. Y. Chan, K. W. Lee, C. K. Yuen, P. W. Lau, Y. L. To, K. C. Chow

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Six-minute walk test (6MWT) is a sub-maximal exercise test to assess aerobic capacity and exercise tolerance of patients with chronic respiratory disease and heart failure. This has been proven to be a reliable and valid tool and commonly used in clinical situations. Traditional 6MWT is labour-intensive and time-consuming especially for patients who require assistance in ambulation and oxygen use. When performing the test with these patients, one staff will assist the patient in walking (with or without aids) while another staff will need to manually record patient’s oxygen saturation, heart rate and walking distance at every minute and/or carry oxygen cylinder at the same time. Physiotherapist will then have to document the test results in bed notes in details. With the use of electronic 6MWT (E-6MWT), patients wear a wireless oximeter that transfers data to a tablet PC via Bluetooth. Real-time recording of oxygen saturation, heart rate, and distance are displayed. No manual work on recording is needed. The tablet will generate a comprehensive report which can be directly attached to the patient’s bed notes for documentation. Data can also be saved for later patient follow up. This study was carried out in North District Hospital. Patients who followed commands and required 6MWT assessment were included. Patients were assigned to study or control groups. In the study group, patients adopted the E-6MWT while those in control group adopted the traditional 6MWT. Manpower and time consumed were recorded. Physiotherapists also completed a questionnaire about the use of E-6MWT. Total 12 subjects (Study=6; Control=6) were recruited during 11-12/2017. An average number of staff required and time consumed in traditional 6MWT were 1.67 and 949.33 seconds respectively; while in E-6MWT, the figures were 1.00 and 630.00 seconds respectively. Compared to traditional 6MWT, E-6MWT required 67.00% less manpower and 50.10% less in time spent. Physiotherapists (n=7) found E-6MWT is convenient to use (mean=5.14; satisfied to very satisfied), requires less manpower and time to complete the test (mean=4.71; rather satisfied to satisfied), has better data management (mean=5.86; satisfied to very satisfied) and is recommended to be used clinically (mean=5.29; satisfied to very satisfied). It is proven that E-6MWT requires less manpower input with higher efficiency and better data management. It is welcomed by the clinical frontline staff.

Keywords: electronic, physiotherapy, six-minute walk test, 6MWT

Procedia PDF Downloads 139

Authors: Enrique Bazan-Zurita, Sittipong Jarernprasert, Jacobo Bielak

Abstract:

We study the effects of soil-structure interaction (SSI) on the inelastic seismic response of a single-degree-of-freedom system whose hysteretic behaviour exhibits stiffness and/or strength degrading characteristics. Two sets of accelerograms are used as seismic input: the first comprising 87 record from stiff to medium stiff sites in California, and the second comprising 66 records from the soft lakebed of Mexico City. This study focuses in three seismic response parameters: ductility demand, inter-story drift, and total lateral displacement. The results allow quantitative estimates of changes in such parameters in an SSI system in comparison with those corresponding to the associated fixed-base system. We found that degrading features affect significantly both the response of fixed-base structures and the impact of soil-structure interaction. We propose a procedure to incorporate the results of this and similar studies in seismic design regulations for SSI system with anticipated nonlinear degrading behaviour.

Keywords: inelastic, seismic, building, foundation, interaction

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Authors: Sanja O. Podunavac-Kuzmanović, Lidija R. Jevrić, Strahinja Z. Kovačević

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Benzimidazoles are a group of compounds with significant antibacterial, antifungal and anticancer activity. The studied compounds consist of the main benzimidazole structure with different combinations of substituens. This study is based on the two-dimensional and three-dimensional molecular modeling and calculation of molecular descriptors (physicochemical and lipophilicity descriptors) of structurally diverse benzimidazoles. Molecular modeling was carried out by using ChemBio3D Ultra version 14.0 software. The obtained 3D models were subjected to energy minimization using molecular mechanics force field method (MM2). The cutoff for structure optimization was set at a gradient of 0.1 kcal/Åmol. The obtained set of molecular descriptors was used in principal component analysis (PCA) of possible similarities and dissimilarities among the studied derivatives. After the molecular modeling, the quantitative structure-property relationship (QSPR) analysis was applied in order to get the mathematical models which can be used in prediction of pKb values of structurally similar benzimidazoles. The obtained models are based on statistically valid multiple linear regression (MLR) equations. The calculated cross-validation parameters indicate the high prediction ability of the established QSPR models. This study is financially supported by COST action CM1306 and the project No. 114-451-347/2015-02, financially supported by the Provincial Secretariat for Science and Technological Development of Vojvodina.

Keywords: benzimidazoles, chemometrics, molecular modeling, molecular descriptors, QSPR

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Authors: M. A. Ghebouli, H. Choutri, B. Ghebouli , M. Fatmi, L. Louail

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We employed the density-functional perturbation theory (DFPT) within the generalized gradient approximation (GGA), the local density approximation (LDA) and the virtual-crystal approximation (VCA) to study the effect of composition on the structure, stability, energy gaps, electron effective mass, the dynamic effective charge, optical and acoustical phonon frequencies and static and high dielectric constants of the rock-salt CaxMg1-xSe and CaxMg1-xTe alloys. The computed equilibrium lattice constant and bulk modulus show an important deviation from the linear concentration. From the Voigt-Reuss-Hill approximation, CaxMg1-xSe and CaxMg1-xTe present lower stiffness and lateral expansion. For Ca content ranging between 0.25-0.75, the elastic constants, energy gaps, electron effective mass and dynamic effective charge are predictions. The elastic constants and computed phonon dispersion curves indicate that these alloys are mechanically stable.

Keywords: CaxMg1-xSe, CaxMg1-xTe, band structure, phonon

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Authors: T. Weber, D. MacKenzie

Abstract:

The script in this paper describes the use of advanced simulation environment using electronic systems (microcontroller, operational amplifiers, and FPGA). The simulation was used for non-linear dynamic systems behaviour with required observer structure working with parallel real-time simulation based on state-space representation. The proposed deposited model was used for electrodynamic effects including ionising effects and eddy current distribution also. With the script and proposed method, it is possible to calculate the spatial distribution of the electromagnetic fields in real-time and such systems. For further purpose, the spatial temperature distribution may also be used. With upon system, the uncertainties and disturbances may be determined. This provides the estimation of the more precise system states for the required system and additionally the estimation of the ionising disturbances that arise due to radiation effects in space systems. The results have also shown that a system can be developed specifically with the real-time calculation (estimation) of the radiation effects only. Electronic systems can take damage caused by impacts with charged particle flux in space or radiation environment. TID (Total Ionising Dose) of 1 Gy and Single Effect Transient (SET) free operation up to 50 MeVcm²/mg may assure certain functions. Single-Event Latch-up (SEL) results on the placement of several transistors in the shared substrate of an integrated circuit; ionising radiation can activate an additional parasitic thyristor. This short circuit between semiconductor-elements can destroy the device without protection and measurements. Single-Event Burnout (SEB) on the other hand, increases current between drain and source of a MOSFET and destroys the component in a short time. A Single-Event Gate Rupture (SEGR) can destroy a dielectric of semiconductor also. In order to be able to react to these processes, it must be calculated within a shorter time that ionizing radiation and dose is present. For this purpose, sensors may be used for the realistic evaluation of the diffusion and ionizing effects of the test system. For this purpose, the Peltier element is used for the evaluation of the dynamic temperature increases (dT/dt), from which a measure of the ionization processes and thus radiation will be detected. In addition, the piezo element may be used to record highly dynamic vibrations and oscillations to absorb impacts of charged particle flux. All available sensors shall be used to calibrate the spatial distributions also. By measured value of size and known location of the sensors, the entire distribution in space can be calculated retroactively or more accurately. With the formation, the type of ionisation and the direct effect to the systems and thus possible prevent processes can be activated up to the shutdown. The results show possibilities to perform more qualitative and faster simulations independent of space-systems and radiation environment also. The paper gives additionally an overview of the diffusion effects and their mechanisms.

Keywords: cattle, biochar, manure, microbial activity

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Authors: Ece A. Irmak, Amdulla O. Mekhrabov, M. Vedat Akdeniz

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There is a growing interest in the modeling and simulation of magnetic nanoalloys by various computational methods. Magnetic crystalline/amorphous nanoparticles (NP) are interesting materials from both the applied and fundamental points of view, as their properties differ from those of bulk materials and are essential for advanced applications such as high-performance permanent magnets, high-density magnetic recording media, drug carriers, sensors in biomedical technology, etc. As an important magnetic material, Fe-Ni based nanoalloys have promising applications in the chemical industry (catalysis, battery), aerospace and stealth industry (radar absorbing material, jet engine alloys), magnetic biomedical applications (drug delivery, magnetic resonance imaging, biosensor) and computer hardware industry (data storage). The physical and chemical properties of the nanoalloys depend not only on the particle or crystallite size but also on composition and atomic ordering. Therefore, computer modeling is an essential tool to predict structural, electronic, magnetic and optical behavior at atomistic levels and consequently reduce the time for designing and development of new materials with novel/enhanced properties. Although first-principles quantum mechanical methods provide the most accurate results, they require huge computational effort to solve the Schrodinger equation for only a few tens of atoms. On the other hand, molecular dynamics method with appropriate empirical or semi-empirical inter-atomic potentials can give accurate results for the static and dynamic properties of larger systems in a short span of time. In this study, structural evolutions, magnetic and electronic properties of Fe-Ni based nanoalloys have been studied by using molecular dynamics (MD) method in Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and Density Functional Theory (DFT) in the Vienna Ab initio Simulation Package (VASP). The effects of particle size (in 2-10 nm particle size range) and temperature (300-1500 K) on stability and structural evolutions of amorphous and crystalline Fe-Ni bulk/nanoalloys have been investigated by combining molecular dynamic (MD) simulation method with Embedded Atom Model (EAM). EAM is applicable for the Fe-Ni based bimetallic systems because it considers both the pairwise interatomic interaction potentials and electron densities. Structural evolution of Fe-Ni bulk and nanoparticles (NPs) have been studied by calculation of radial distribution functions (RDF), interatomic distances, coordination number, core-to-surface concentration profiles as well as Voronoi analysis and surface energy dependences on temperature and particle size. Moreover, spin-polarized DFT calculations were performed by using a plane-wave basis set with generalized gradient approximation (GGA) exchange and correlation effects in the VASP-MedeA package to predict magnetic and electronic properties of the Fe-Ni based alloys in bulk and nanostructured phases. The result of theoretical modeling and simulations for the structural evolutions, magnetic and electronic properties of Fe-Ni based nanostructured alloys were compared with experimental and other theoretical results published in the literature.

Keywords: density functional theory, embedded atom model, Fe-Ni systems, molecular dynamics, nanoalloys

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Authors: Asem Bani Amer

Abstract:

This study handles the linguistic fingerprint in judicial applications described in a law technicality that is recent and developing. It can be adopted to discover criminals by identifying their way of speaking and their special linguistic expressions. This is achieved by understanding the expression "linguistic fingerprint," its concept, and its extended domain, then revealing some of the linguistic fingerprint tools in Western judicial applications and deducing a technical imagination for a linguistic fingerprint in the Arabic language, which is needy for such judicial applications regarding this field, through dictionaries, language rhythm, and language structure.

Keywords: linguistic fingerprint, judicial, application, dictionary, picture, rhythm, structure

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Authors: Yasaman Tohidi, Shidvash Vakilipour, Saeed Ebadi Tavallaee, Shahin Vakilipoor Takaloo, Hossein Amiri

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The numerical modeling is performed to study the effects of N₂ addition to the fuel stream on the flame structure and temperature distribution of methane-air swirl diffusion flames with different swirl intensities. The Open source Field Operation and Manipulation (OpenFOAM) has been utilized as the computational tool. Flamelet approach along with modified k-ε model is employed to model the flame characteristics.  The results indicate that the presence of N₂ in the fuel stream leads to the flame temperature reduction. By increasing of swirl intensity, the flame structure changes significantly. The flame has a conical shape in low swirl intensity; however, it has an hour glass-shape with a shorter length in high swirl intensity. The effects of N₂ dilution decrease the flame length in all swirl intensities; however, the rate of reduction is more noticeable in low swirl intensity.

Keywords: swirl diffusion flame, N2 dilution, OpenFOAM, swirl intensity

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Authors: Fatima Zohra Mahi, Luca Varani

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We present an analytical model for the calculation of the sensitivity, the spectral current noise and the detectivity for an optically illuminated In0.53Ga0.47As n+nn+ diode. The photocurrent due to the excess carrier is obtained by solving the continuity equation. Moreover, the current noise level is evaluated at room temperature and under a constant voltage applied between the diode terminals. The analytical calculation of the current noise in the n+nn+ structure is developed. The responsivity and the detectivity are discussed as functions of the doping concentrations and the emitter layer thickness in one-dimensional homogeneous n+nn+ structure.

Keywords: detectivity, photodetectors, continuity equation, current noise

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Authors: Seyedamirreza Shamsdini, Mohsen Mohammadi

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In this research, 18Ni-300 maraging steel powder particles are investigated by studying particle size distribution along with their morphology and grain structure. The powder analysis shows mostly spherical morphologies with cellular structures. A laser-based additive manufacturing process, selective laser melting (SLM) is used to produce samples for further investigation of mechanical properties and microstructure. Several uniaxial tensile tests are performed on the as-built parts to evaluate the mechanical properties. The macroscopic properties, as well as microscopic studies, are then investigated on the printed parts. Hardness measurements, as well as porosity levels, are measured for each sample and are correlated with microstructures through electron microscopy techniques such as Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). The grain structure is studied for the as-printed specimens and compared to the powder particle microstructure. The cellular structure of the printed samples is observed to have dendritic forms with dendrite width dimensions similar to the powder particle cells. The process parameter is changed, and the study is performed for different powder layer thickness, and the resultant mechanical properties and grain structure are shown to be similar. A phase study is conducted both on the powder and the printed samples using X-Ray Diffraction (XRD) techniques, and the austenite phase is observed to at first decrease due to the manufacturing process and again during the uniaxial tensile deformation. The martensitic structure is formed in the first stage based on the heating cycles of the manufacturing process and the remaining austenite is shown to be transformed to martensite due to different deformation mechanisms.

Keywords: additive manufacturing, maraging steel, mechanical properties, microstructure

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Authors: Nataša Kalajdžija, Strahinja Kovačević, Davor Lončar, Sanja Podunavac Kuzmanović, Lidija Jevrić

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In order to investigate the relationship between retention and structure, a quantitative Structure Retention Relationships (QSRRs) study was applied for the prediction of retention times of a set of 23 secoestrane derivatives in a reversed-phase thin-layer chromatography. After the calculation of molecular descriptors, a suitable set of molecular descriptors was selected by using step-wise multiple linear regressions. Artificial Neural Network (ANN) method was employed to model the nonlinear structure-activity relationships. The ANN technique resulted in 5-6-1 ANN model with the correlation coefficient of 0.98. We found that the following descriptors: Critical pressure, total energy, protease inhibition, distribution coefficient (LogD) and parameter of lipophilicity (miLogP) have a significant effect on the retention times. The prediction results are in very good agreement with the experimental ones. This approach provided a new and effective method for predicting the chromatographic retention index for the secoestrane derivatives investigated.

Keywords: lipophilicity, QSRR, RP TLC retention, secoestranes

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Authors: Fu Jia

Abstract:

The effects of soil-structure interaction (SSI) are often studied using axial-symmetric three-dimensional (3D) models to avoid the high computational cost of the more realistic, fully 3D models, which require 2-3 orders of magnitude more computer time and storage. This paper analyzes the error and presents correction factors for system frequency, system damping, and peak amplitude of structural response computed by axisymmetric models, embedded in uniform or layered half-space. The results are compared with those for fully 3D rectangular foundations of different aspect ratios. Correction factors are presented for a range of the model parameters, such as fixed-base frequency, structure mass, height and length-to-width ratio, foundation embedment, soil-layer stiffness and thickness. It is shown that the errors are larger for stiffer, taller and heavier structures, deeper foundations and deeper soil layer. For example, for a stiff structure like Millikan Library (NS response; length-to-width ratio 1), the error is 6.5% in system frequency, 49% in system damping and 180% in peak amplitude. Analysis of a case study shows that the NEHRP-2015 provisions for reduction of base shear force due to SSI effects may be unsafe for some structures and need revision. The presented correction factor diagrams can be used in practical design and other applications.

Keywords: 3D soil-structure interaction, correction factors for axisymmetric models, length-to-width ratio, NEHRP-2015 provisions for reduction of base shear force, rectangular embedded foundations, SSI system frequency, SSI system damping

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Authors: Shavindrie Cooray

Abstract:

It is vital that students are supported in having balanced conversations about topics that might be controversial. This process is crucial to the development of critical thinking skills. This can be difficult to attain in e-learning environments, with some research finding students report a perceived loss in the quality of knowledge exchange and performance. This research investigated if Systems Theory could be applied to structure the discussion, improve information sharing, and reduce conflicts when students are working in online environments. This research involved 160 participants across four categories of student groups at a college in the Northeastern US. Each group was provided with a shared problem, and each group was expected to make a proposal for a solution. Two groups worked face-to-face; the first face to face group engaged with the problem and each other with no intervention from a facilitator; a second face to face group worked on the problem using Systems tools to facilitate problem structuring, group discussion, and decision-making. There were two types of virtual teams. The first virtual group also used Systems tools to facilitate problem structuring and group discussion. However, all interactions were conducted in a synchronous virtual environment. The second type of virtual team also met in real time but worked with no intervention. Findings from the study demonstrated that the teams (both virtual and face-to-face) using Systems tools shared more information with each other than the other teams; additionally, these teams reported an increased level of disagreement amongst their members, but also expressed more confidence and satisfaction with the experience and resulting decision compared to the other groups.

Keywords: e-learning, virtual teams, systems approach, conflicts

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Authors: Liang Sun, Yi He

Abstract:

The origination and development of Chinese traditional villages have a strong link with clan society. Thousands of traditional villages are constituted by one big family who have the same surname. Villages’ basic social relationships are built on the basis of family kinship. Clan power controls family courtyards’ spatial structure and influences their evolvement process. Compared with other countries, research from perspective of clanism is a particular and universally applicable manner to recognize Chinese traditional villages’ space features. This paper takes traditional villages in astern Zhejiang province as examples, especially a single-clan village named Zoumatang. Through combining rural sociology with architecture, it clarifies the coupling relationship between clan structure and village space, reveals spatial composition and evolvement logic of family courtyards. Clan society pays much attention to the patrilineal kinship and genealogy. In astern Zhejiang province, clan is usually divided to ‘clan-branches-families’ three levels. Its structural relationship looks like pyramid, which results in ‘center-margin’ structure when projecting to villages’ space. Due to the cultural tradition of ancestor worship, family courtyards’ space exist similar ‘center-margin’ structure. Ancestor hall and family temple are respectively the space core of village and courtyard. Other parts of courtyard also shows order of superiority and inferiority. Elder and men must be the first. However, along with the disintegration of clan society, family courtyard gradually appears fragmentation trend. Its spatial structure becomes more and more flexible and its scale becomes smaller and smaller. Living conditions rather than ancestor worship turn out to be primary consideration. As a result, there are different courtyard historical prototype in different historic period. To some extent, Chinese present traditional villages’ conservation ignore the impact of clan society. This paper discovers the social significance of courtyard’s spatial texture and rebuilds the connection between society and space. It is expected to promote Chinese traditional villages’ conservation paying more attention to authenticity which defined in the historical process and integrity which built on the basis of social meaning.

Keywords: China, clanism, courtyard, evolvement process, spatial structure, traditional village

Procedia PDF Downloads 309

Authors: K. V. Ramanaiah, R. Jagan, N. N. Murthy

Abstract:

Trinuclear oxo-centered carboxylate-bridged iron complexes, [Fe3(µ3-O)(µ2-O2CR)L¬3]+/0 (where R = alkyl or aryl; L = H2O, ROH, Py, solvent) have attracted tremendous attention because of their interesting structural and magnetic properties, exhibit mixed-valent trapped and de-trapped states, and have bioinorganic relevance. The presence of a trinuclear iron binding center has been implicated in the formation of both bacterial and human iron storage protein, Ft. They are used as precursors for the synthesis of models for the active-site structures of non-heme proteins, hemerythrin (Hr), methane monooxygenase (MMO) and polyiron storage protein, ferritin (Ft). Used as important building blocks for the design and synthesis of supramolecules this can exhibit single molecular magnetism (SMM). Such studies have often employed simple and compact carboxylate ligands and the use of bulky carboxylates is scarce. In the present study, we employed two different type of sterically hindered carboxylates and synthesized a series of novel oxo-centered, carboxylate-bridged triiron complexes of general formula [Fe3(O)(O2CCPh3)6L3]X (L = H2O, 1; py, 2; 4-NMe2py, 3; X = ClO4; L = CH3CN, 4; X = FeCl4) and [Fe3(O)(O2C-anth)6L3]X (L = H2O, 5; X = ClO4; L = CH3OH, 6; X = Cl). Along with complex [Fe(OMe)2(O2CCPh3)]10, 7 was prepared by the self-assemble of anhydrous FeCl3, sodium triphenylacetate and sodium methoxide at ratio of 1:1:2 in CH3OH. The Electronic absorption spectra of these complexes 1-6, in CH2Cl2 display weak bands at near FTIR region (970-1135 nm, ε > 15M-1cm-1). For complex 7, one broad band centered at ~670nm and also an additional intense charge transfer (L→M or O→M) bands between 300 to 550nm observed for all the complexes. Paramagnetic 1H NMR is introduced as a good probe for the characterization of trinuclear oxo - cantered iron compounds in solution when the L ligand coordinated to iron varies as: H2O, py, 4-NMe2py, and CH3OH. The solution state magnetic moment values calculated by using Evans method for all the complexes and also solid state magnetic moment value of complex, 7 was calculated by VSM method, which is comparable with solution state value. These all magnetic moment values indicate there is a spin exchange process through oxo and carboxylate bridges in between two irons (d5). The ESI-mass data complement the data obtained from single crystal X-ray structure. Further purity of the compounds was confirmed by elemental analysis. Finally, structural determination of complexes 1, 3, 4, 5, 6 and 7 were unambiguously conformed by single crystal x-ray studies.

Keywords: decanuclear, paramagnetic NMR, trinuclear, uv-visible

Procedia PDF Downloads 338

Authors: Minh Tu Le, Quang Huy Nguyen, Mai Lan Nguyen

Abstract:

Bonding characteristics between pavement layers have an important influence on responses of pavement structures. This paper deals with analytical solution for the stresses, strains, and deflections of double-layered asphalt pavement structure. This solution is based on the homogeneous half-space of layered theory developed by Burmister (1943). The partial interaction between the layers is taken into account by considering an interface bonding behavior which is obtained by push-out shear test. Numerical applications considering three cases of bonding (unbonded, partially bonded, and fully bonded overlays) are carried out to the influence of the interface bonding on the structural behavior of asphalt pavement under static loading. Further, it was observed that numerical results indicate that the horizontal shear reaction modulus at the interface (Ks) will significantly affect pavement structure behavior.

Keywords: analytical solution, interface bonding, shear test keyword, double-layered asphalt, shear reaction modulus

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Authors: H. Zouaoui, D. Abdi, B. Nessark, F. Habelhames, A. Bahloul

Abstract:

Among the conjugated organic polymers, the polythiophenes constitute a particularly important class of conjugated polymers, which has been extensively studied for the relation between the geometrical structure and the optic and electronic properties, while the polythiophene is an intractable material. They are, furthermore, chemically and thermally stable materials, and are very attractive for exploitation of their physical properties. The polythiophenes are extensively studied due to the possibility of synthesizing low band gap materials by using substituted thiophenes as precursors. Low band gap polymers may convert visible light into electricity and some photoelectrochemical cells based on these materials have been prepared. Polythiophenes (PThs) are good candidates for polymer optoelectronic devices such as polymer solar cells (PSCs) polymer light-emitting diodes (PLEDs) field-effect transistors (FETs) electrochromics and biosensors. In this work, MnO2 has been synthesized by hydrothermal method and analyzed by infrared spectroscopy. The polybithiophene+MnO2 composite films were electrochemically prepared by cyclic voltammetry technic on a conductor glass substrate ITO (indium–tin-oxide). The composite films are characterized by cyclic voltammetry, impedance spectroscopy and photoelectrochemical analyses. The results confirmed the presence of manganese dioxide nanoparticles in the polymer layer. An application has been made by using these deposits as an electrode in a photoelectrochemical cell for measuring photocurrent tests. The composite films show a significant photocurrent intensity 80 μA.cm-2.

Keywords: polybithiophene, MnO2, photoelectrochemical cells, composite films

Procedia PDF Downloads 340