Search results for: two dimensional van der Waals crystal
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2817

Search results for: two dimensional van der Waals crystal

1707 Numerical Analysis of Liquid Metal Magnetohydrodynamic Flows in a Manifold with Three Sub-Channels

Authors: Meimei Wen, Chang Nyung Kim

Abstract:

In the current study, three-dimensional liquid metal (LM) magneto-hydrodynamic (MHD) flows in a manifold with three sub-channels under a uniform magnetic field are numerically investigated. In the manifold, the electrical current can cross channel walls, thus having influence on the flow distribution in each sub-channel. A case with various arrangements of electric conductivity for different parts of channel walls is considered, yielding different current distributions as well as flow distributions in each sub-channel. Here, the imbalance of mass flow rates in the three sub-channels is addressed. Meanwhile, predicted are detailed behaviors of the flow velocity, pressure, current and electric potential of LM MHD flows with three sub-channels. Commercial software CFX is used for the numerical simulation of LM MHD flows.

Keywords: CFX, liquid metal, manifold, MHD flow

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1706 Mechanism of Melanin Inhibition of Morello Flavone- 7″- Sulphate and Sargaol extracts from Garcinia livingstonei (Clusiaceae): Homology Modelling, Molecular Docking, and Molecular Dynamics Simulations

Authors: Ncoza Dlova, Tivani Mashamba-Thompson

Abstract:

Garcinia livingstonei (Clusiaceae) extracts, morelloflavone- 7″- sulphate and sargaol were shown to be effective against hyper-pigmentation through inhibition of tyrosinase enzyme, in vitro . The aim of this study is to elucidate the structural mechanism through which morelloflavone- 7″- sulphate and sargaol binds human tyrosinase. Implementing a homology model to construct a tyrosinase model using the crystal structure of a functional unit from Octopus hemocyanin (PDB: 1JS8) as a reference template enabled us to create a human tyrosinase model. Molecular dynamics and binding free energy calculations were optimized to enable molecular dynamics simulation of the copper dependent inhibitors. Results show the importance of the hydrogen bond formation morelloflavone- 7″- sulphate and sargaol between compound and active site residues. Both complexes demonstrated the metallic coordination between compound and arginine residue as well as copper ions within the active site. The comprehensive molecular insight gained from this study should be vital in understanding the binding mechanism morelloflavone- 7″- sulphate and sargaol. Moreover, these results will assist in the design of novel of metal ion dependent enzyme inhibitors as potential anti-hyper-pigmentation disorder therapies.

Keywords: hyper-pigmentation disorders, dyschromia African skin, morelloflavone- 7″- sulphate, sagoal

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1705 Application of Imperialist Competitive Algorithm for Optimal Location and Sizing of Static Compensator Considering Voltage Profile

Authors: Vahid Rashtchi, Ashkan Pirooz

Abstract:

This paper applies the Imperialist Competitive Algorithm (ICA) to find the optimal place and size of Static Compensator (STATCOM) in power systems. The output of the algorithm is a two dimensional array which indicates the best bus number and STATCOM's optimal size that minimizes all bus voltage deviations from their nominal value. Simulations are performed on IEEE 5, 14, and 30 bus test systems. Also some comparisons have been done between ICA and the famous Particle Swarm Optimization (PSO) algorithm. Results show that how this method can be considered as one of the most precise evolutionary methods for the use of optimum compensator placement in electrical grids.

Keywords: evolutionary computation, imperialist competitive algorithm, power systems compensation, static compensators, voltage profile

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1704 A New Analytic Solution for the Heat Conduction with Time-Dependent Heat Transfer Coefficient

Authors: Te Wen Tu, Sen Yung Lee

Abstract:

An alternative approach is proposed to develop the analytic solution for one dimensional heat conduction with one mixed type boundary condition and general time-dependent heat transfer coefficient. In this study, the physic meaning of the solution procedure is revealed. It is shown that the shifting function takes the physic meaning of the reciprocal of Biot function in the initial time. Numerical results show the accuracy of this study. Comparing with those given in the existing literature, the difference is less than 0.3%.

Keywords: analytic solution, heat transfer coefficient, shifting function method, time-dependent boundary condition

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1703 The Perception and Integration of Lexical Tone and Vowel in Mandarin-speaking Children with Autism: An Event-Related Potential Study

Authors: Rui Wang, Luodi Yu, Dan Huang, Hsuan-Chih Chen, Yang Zhang, Suiping Wang

Abstract:

Enhanced discrimination of pure tones but diminished discrimination of speech pitch (i.e., lexical tone) were found in children with autism who speak a tonal language (Mandarin), suggesting a speech-specific impairment of pitch perception in these children. However, in tonal languages, both lexical tone and vowel are phonemic cues and integrally dependent on each other. Therefore, it is unclear whether the presence of phonemic vowel dimension contributes to the observed lexical tone deficits in Mandarin-speaking children with autism. The current study employed a multi-feature oddball paradigm to examine how vowel and tone dimensions contribute to the neural responses for syllable change detection and involuntary attentional orienting in school-age Mandarin-speaking children with autism. In the oddball sequence, syllable /da1/ served as the standard stimulus. There were three deviant stimulus conditions, representing tone-only change (TO, /da4/), vowel-only change (VO, /du1/), and change of tone and vowel simultaneously (TV, /du4/). EEG data were collected from 25 children with autism and 20 age-matched normal controls during passive listening to the stimulation. For each deviant condition, difference waveform measuring mismatch negativity (MMN) was derived from subtracting the ERP waveform to the standard sound from that to the deviant sound for each participant. Additionally, the linear summation of TO and VO difference waveforms was compared to the TV difference waveform, to examine whether neural sensitivity for TV change detection reflects simple summation or nonlinear integration of the two individual dimensions. The MMN results showed that the autism group had smaller amplitude compared with the control group in the TO and VO conditions, suggesting impaired discriminative sensitivity for both dimensions. In the control group, amplitude of the TV difference waveform approximated the linear summation of the TO and VO waveforms only in the early time window but not in the late window, suggesting a time course from dimensional summation to nonlinear integration. In the autism group, however, the nonlinear TV integration was already present in the early window. These findings suggest that speech perception atypicality in children with autism rests not only in the processing of single phonemic dimensions, but also in the dimensional integration process.

Keywords: autism, event-related potentials , mismatch negativity, speech perception

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1702 Beliefs about the God of the Other in Intergroup Conflict: Experimental Results from Israel and Palestine

Authors: Crystal Shackleford, Michael Pasek, Allon Vishkin, Jeremy Ginges

Abstract:

In the Middle East, conflict is often viewed as religiously motivated. In this context, an important question is how we think the religion of the other drives their behavior. If people see conflicts as religious, they may expect the belief of the other to motivate intergroup bias. Beliefs about the motivations of the other impact how we engage with them. Conflict may result if actors believe the other’s religion promotes parochialism. To examine how actors on the ground in Israel-Palestine think about the God of the other as it relates to the other’s behavior towards them, we ran two studies in winter 2019 with an online sample of Jewish Israelis and fieldwork with Palestinians in the West Bank. We asked participants to predict the behavior of an outgroup member participating in an economic game task, dividing the money between themselves and another person, who is either an ingroup or outgroup member. Our experimental manipulation asks participants to predict the behavior of the other when the other is thinking of their God. Both Israelis and Palestinians believed outgroup members would show in-group favoritism, and that group members would give more to their in-group when thinking of their God. We also found that participants thought outgroup members would give more to their own ingroup when thinking of God. In other words, Palestinians predicted that Israelis would give more to fellow Israelis when thinking of God, but also more to Palestinians. Our results suggest that religious belief is seen to promote universal moral reasoning, even in a context with over 70 years of intense conflict. More broadly, this challenges the narrative that religion necessarily motivates intractable conflict.

Keywords: conflict, psychology, religion, meta-cognition, morality

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1701 Preliminary Results on a Maximum Mean Discrepancy Approach for Seizure Detection

Authors: Boumediene Hamzi, Turky N. AlOtaiby, Saleh AlShebeili, Arwa AlAnqary

Abstract:

We introduce a data-driven method for seizure detection drawing on recent progress in Machine Learning. The method is based on embedding probability measures in a high (or infinite) dimensional reproducing kernel Hilbert space (RKHS) where the Maximum Mean Discrepancy (MMD) is computed. The MMD is metric between probability measures that are computed as the difference between the means of probability measures after being embedded in an RKHS. Working in RKHS provides a convenient, general functional-analytical framework for theoretical understanding of data. We apply this approach to the problem of seizure detection.

Keywords: kernel methods, maximum mean discrepancy, seizure detection, machine learning

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1700 An Optimization Algorithm Based on Dynamic Schema with Dissimilarities and Similarities of Chromosomes

Authors: Radhwan Yousif Sedik Al-Jawadi

Abstract:

Optimization is necessary for finding appropriate solutions to a range of real-life problems. In particular, genetic (or more generally, evolutionary) algorithms have proved very useful in solving many problems for which analytical solutions are not available. In this paper, we present an optimization algorithm called Dynamic Schema with Dissimilarity and Similarity of Chromosomes (DSDSC) which is a variant of the classical genetic algorithm. This approach constructs new chromosomes from a schema and pairs of existing ones by exploring their dissimilarities and similarities. To show the effectiveness of the algorithm, it is tested and compared with the classical GA, on 15 two-dimensional optimization problems taken from literature. We have found that, in most cases, our method is better than the classical genetic algorithm.

Keywords: chromosome injection, dynamic schema, genetic algorithm, similarity and dissimilarity

Procedia PDF Downloads 334
1699 Hot Deformation Behavior and Recrystallization of Inconel 718 Superalloy under Double Cone Compression

Authors: Wang Jianguo, Ding Xiao, Liu Dong, Wang Haiping, Yang Yanhui, Hu Yang

Abstract:

The hot deformation behavior of Inconel 718 alloy was studied by uniaxial compression tests under the deformation temperature of 940~1040℃ and strain rate of 0.001-10s⁻¹. The double cone compression (DCC) tests develop strains range from 30% to the 79% strain including all intermediate values of stains at different temperature (960~1040℃). DCC tests were simulated by finite element software which shown the strain and strain rates distribution. The result shows that the peak stress level of the alloy decreased with increasing deformation temperature and decreasing strain rate, which could be characterized by a Zener-Hollomon parameter in the hyperbolic-sine equation. The characterization method of hot processing window containing recrystallization volume fraction and average grain size was proposed for double cone compression test of uniform coarse grain, mixed crystal and uniform fine grain double conical specimen in hydraulic press and screw press. The results show that uniform microstructures can be obtained by low temperature with high deformation followed by high temperature with small deformation on the hydraulic press and low temperature, medium deformation, multi-pass on the screw press. The two methods were applied in industrial forgings process, and the forgings with uniform microstructure were obtained successfully.

Keywords: inconel 718 superalloy, hot processing windows, double cone compression, uniform microstructure

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1698 Performance Evaluation of the Classic seq2seq Model versus a Proposed Semi-supervised Long Short-Term Memory Autoencoder for Time Series Data Forecasting

Authors: Aswathi Thrivikraman, S. Advaith

Abstract:

The study is aimed at designing encoders for deciphering intricacies in time series data by redescribing the dynamics operating on a lower-dimensional manifold. A semi-supervised LSTM autoencoder is devised and investigated to see if the latent representation of the time series data can better forecast the data. End-to-end training of the LSTM autoencoder, together with another LSTM network that is connected to the latent space, forces the hidden states of the encoder to represent the most meaningful latent variables relevant for forecasting. Furthermore, the study compares the predictions with those of a traditional seq2seq model.

Keywords: LSTM, autoencoder, forecasting, seq2seq model

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1697 Characterization of 3D-MRP for Analyzing of Brain Balancing Index (BBI) Pattern

Authors: N. Fuad, M. N. Taib, R. Jailani, M. E. Marwan

Abstract:

This paper discusses on power spectral density (PSD) characteristics which are extracted from three-dimensional (3D) electroencephalogram (EEG) models. The EEG signal recording was conducted on 150 healthy subjects. Development of 3D EEG models involves pre-processing of raw EEG signals and construction of spectrogram images. Then, the values of maximum PSD were extracted as features from the model. These features are analysed using mean relative power (MRP) and different mean relative power (DMRP) technique to observe the pattern among different brain balancing indexes. The results showed that by implementing these techniques, the pattern of brain balancing indexes can be clearly observed. Some patterns are indicates between index 1 to index 5 for left frontal (LF) and right frontal (RF).

Keywords: power spectral density, 3D EEG model, brain balancing, mean relative power, different mean relative power

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1696 Self-Action of Pyroelectric Spatial Soliton in Undoped Lithium Niobate Samples with Pyroelectric Mechanism of Nonlinear Response

Authors: Anton S. Perin, Vladimir M. Shandarov

Abstract:

Compensation for the nonlinear diffraction of narrow laser beams with wavelength of 532 and the formation of photonic waveguides and waveguide circuits due to the contribution of pyroelectric effect to the nonlinear response of lithium niobate crystal have been experimentally demonstrated. Complete compensation for the linear and nonlinear diffraction broadening of light beams is obtained upon uniform heating of an undoped sample from room temperature to 55 degrees Celsius. An analysis of the light-field distribution patterns and the corresponding intensity distribution profiles allowed us to estimate the spacing for the channel waveguides. The observed behavior of bright soliton beams may be caused by their coherent interaction, which manifests itself in repulsion for anti-phase light fields and in attraction for in-phase light fields. The experimental results of this study showed a fundamental possibility of forming optically complex waveguide structures in lithium niobate crystals with pyroelectric mechanism of nonlinear response. The topology of these structures is determined by the light field distribution on the input face of crystalline sample. The optical induction of channel waveguide elements by interacting spatial solitons makes it possible to design optical systems with a more complex topology and a possibility of their dynamic reconfiguration.

Keywords: self-action, soliton, lithium niobate, piroliton, photorefractive effect, pyroelectric effect

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1695 Rapid, Label-Free, Direct Detection and Quantification of Escherichia coli Bacteria Using Nonlinear Acoustic Aptasensor

Authors: Shilpa Khobragade, Carlos Da Silva Granja, Niklas Sandström, Igor Efimov, Victor P. Ostanin, Wouter van der Wijngaart, David Klenerman, Sourav K. Ghosh

Abstract:

Rapid, label-free and direct detection of pathogenic bacteria is critical for the prevention of disease outbreaks. This paper for the first time attempts to probe the nonlinear acoustic response of quartz crystal resonator (QCR) functionalized with specific DNA aptamers for direct detection and quantification of viable E. coli KCTC 2571 bacteria. DNA aptamers were immobilized through biotin and streptavidin conjugation, onto the gold surface of QCR to capture the target bacteria and the detection was accomplished by shift in amplitude of the peak 3f signal (3 times the drive frequency) upon binding, when driven near fundamental resonance frequency. The developed nonlinear acoustic aptasensor system demonstrated better reliability than conventional resonance frequency shift and energy dissipation monitoring that were recorded simultaneously. This sensing system could directly detect 10⁽⁵⁾ cells/mL target bacteria within 30 min or less and had high specificity towards E. coli KCTC 2571 bacteria as compared to the same concentration of S.typhi bacteria. Aptasensor response was observed for the bacterial suspensions ranging from 10⁽⁵⁾-10⁽⁸⁾ cells/mL. Conclusively, this nonlinear acoustic aptasensor is simple to use, gives real-time output, cost-effective and has the potential for rapid, specific, label-free direction detection of bacteria.

Keywords: acoustic, aptasensor, detection, nonlinear

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1694 Effect of Viscous Dissipation on 3-D MHD Casson Flow in Presence of Chemical Reaction: A Numerical Study

Authors: Bandari Shanker, Alfunsa Prathiba

Abstract:

The influence of viscous dissipation on MHD Casson 3-D fluid flow in two perpendicular directions past a linearly stretching sheet in the presence of a chemical reaction is explored in this work. For exceptional circumstances, self-similar solutions are obtained and compared to the given data. The enhancement in the values Ecert number the temperature boundary layer increases. Further, the current findings are observed to be in great accord with the existing data. In both directions, non - dimensional velocities and stress distribution are achieved. The relevant data are graphed and explained quantitatively in relation to changes in the Casson fluid parameter as well as other fluid flow parameters.

Keywords: viscous dissipation, 3-D Casson flow, chemical reaction, Ecert number

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1693 Field Scale Simulation Study of Miscible Water Alternating CO2 Injection Process in Fractured Reservoirs

Authors: Hooman Fallah

Abstract:

Vast amounts of world oil reservoirs are in natural fractured reservoirs. There are different methods for increasing recovery from fractured reservoirs. Miscible injection of water alternating CO2 is a good choice among this methods. In this method, water and CO2 slugs are injected alternatively in reservoir as miscible agent into reservoir. This paper studies water injection scenario and miscible injection of water and CO2 in a two dimensional, inhomogeneous fractured reservoir. The results show that miscible water alternating CO2¬ gas injection leads to 3.95% increase in final oil recovery and total water production decrease of 3.89% comparing to water injection scenario.

Keywords: simulation study, CO2, water alternating gas injection, fractured reservoirs

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1692 Solid-State Synthesis Approach and Optical study of Red Emitting Phosphors Li₃BaSrxCa₁₋ₓEu₂.₇Gd₀.₃(MoO₄)₈ for White LEDs

Authors: Priyansha Sharma, Sibani Mund, Sivakumar Vaidyanathan

Abstract:

Solid-state synthesis methods were used for the synthesis of pure red emissive Li¬3BaSrxCa(1-x)Eu2.7Gd0.3(MoO4)8 (x = 0.0 to 1.0) phosphors, XRD, SEM, and FTIR spectra were used to characterize the materials, and their optical properties were thoroughly investigated. PL studies were examined at different excitations 230 nm, 275nm, 465nm, and 395 nm. All the spectra show similar emissions with the highest transition at 616 nm due to ED transition. The given phosphor Li¬3BaSr0.25Ca0.75Eu2.7Gd0.3(MoO4)8 shows the highest intensity and is thus chosen for the temperature-dependent and Quantum yield study. According to the PL investigation, the phosphor-containing Eu3+ emits red light due to the (5D0 7F2) transition. The excitation analysis shows that all of the Eu3+ activated phosphors exhibited broad absorption due to the charge transfer band, O2-Mo6+, O2-Eu3+ transition, as well as narrow absorption bands related to the Eu3+ ion's 4f-4f electronic transition. Excitation spectra show Charge transfer band at 275 nm shows the highest intensity. The primary band in the spectra refers to Eu3+ ions occupying the lattice's non-centrosymmetric location. All of the compositions are monoclinic crystal structures with space group C2/c and match with reference powder patterns. The thermal stability of the 3BaSr0.25Ca0.75Eu2.7Gd0.3(MoO4)8 phosphor was investigated at (300 k- 500 K) as well as at low temperature from (20 K to 275 K) to be utilized for red and white LED fabrication. The Decay Lifetime of all the phosphor was measured. The best phosphor was used for White and Red LED fabrication.

Keywords: PL, phosphor, quantum yield, white LED

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1691 Three-Dimensional Positioning Method of Indoor Personnel Based on Millimeter Wave Radar Sensor

Authors: Chao Wang, Zuxue Xia, Wenhai Xia, Rui Wang, Jiayuan Hu, Rui Cheng

Abstract:

Aiming at the application of indoor personnel positioning under smog conditions, this paper proposes a 3D positioning method based on the IWR1443 millimeter wave radar sensor. The problem that millimeter-wave radar cannot effectively form contours in 3D point cloud imaging is solved. The results show that the method can effectively achieve indoor positioning and scene construction, and the maximum positioning error of the system is 0.130m.

Keywords: indoor positioning, millimeter wave radar, IWR1443 sensor, point cloud imaging

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1690 Solution of the Blast Wave Problem in Dusty Gas

Authors: Triloki Nath, R. K. Gupta, L. P. Singh

Abstract:

The aim of this paper is to find the new exact solution of the blast wave problem in one-dimensional unsteady adiabatic flow for generalized geometry in a compressible, inviscid ideal gas with dust particles. The density of the undisturbed region is assumed to vary according to a power law of the distance from the point of explosion. The exact solution of the problem in form of a power in the distance and the time is obtained. Further, the behaviour of the total energy carried out by the blast wave for planar, cylindrically symmetric and spherically symmetric flow corresponding to different Mach number of the fluid flow in dusty gas is presented. It is observed that the presence of dust particles in the gas yields more complex expression as compared to the ordinary Gasdynamics.

Keywords: shock wave, blast wave, dusty gas, strong shock

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1689 A Note on MHD Flow and Heat Transfer over a Curved Stretching Sheet by Considering Variable Thermal Conductivity

Authors: M. G. Murtaza, E. E. Tzirtzilakis, M. Ferdows

Abstract:

The mixed convective flow of MHD incompressible, steady boundary layer in heat transfer over a curved stretching sheet due to temperature dependent thermal conductivity is studied. We use curvilinear coordinate system in order to describe the governing flow equations. Finite difference solutions with central differencing have been used to solve the transform governing equations. Numerical results for the flow velocity and temperature profiles are presented as a function of the non-dimensional curvature radius. Skin friction coefficient and local Nusselt number at the surface of the curved sheet are discussed as well.

Keywords: curved stretching sheet, finite difference method, MHD, variable thermal conductivity

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1688 Design and Development of Bar Graph Data Visualization in 2D and 3D Space Using Front-End Technologies

Authors: Sourabh Yaduvanshi, Varsha Namdeo, Namrata Yaduvanshi

Abstract:

This study delves into the design and development intricacies of crafting detailed 2D bar charts via d3.js, recognizing its limitations in generating 3D visuals within the Document Object Model (DOM). The study combines three.js with d3.js, facilitating a smooth evolution from 2D to immersive 3D representations. This fusion epitomizes the synergy between front-end technologies, expanding horizons in data visualization. Beyond technical expertise, it symbolizes a creative convergence, pushing boundaries in visual representation. The abstract illuminates methodologies, unraveling the intricate integration of this fusion and guiding enthusiasts. It narrates a compelling story of transcending 2D constraints, propelling data visualization into captivating three-dimensional realms, and igniting creativity in front-end visualization endeavors.

Keywords: design, development, front-end technologies, visualization

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1687 Finite Element Method Analysis of Occluded-Ear Simulator and Natural Human Ear Canal

Authors: M. Sasajima, T. Yamaguchi, Y. Hu, Y. Koike

Abstract:

In this paper, we discuss the propagation of sound in the narrow pathways of an occluded-ear simulator typically used for the measurement of insert-type earphones. The simulator has a standardized frequency response conforming to the international standard (IEC60318-4). In narrow pathways, the speed and phase of sound waves are modified by viscous air damping. In our previous paper, we proposed a new finite element method (FEM) to consider the effects of air viscosity in this type of audio equipment. In this study, we will compare the results from the ear simulator FEM model, and those from a three dimensional human ear canal FEM model made from computed tomography images, with the measured frequency response data from the ear canals of 18 people.

Keywords: ear simulator, FEM, viscosity, human ear canal

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1686 Stress Study in Implants Dental

Authors: M. Benlebna, B. Serier, B. Bachir Bouiadjra, S. Khalkhal

Abstract:

This study focuses on the mechanical behavior of a dental prosthesis subjected to dynamic loads chewing. It covers a three-dimensional analysis by the finite element method, the level of distribution of equivalent stresses induced in the bone between the implants (depending on the number of implants). The studied structure, consisting of a braced, implant and mandibular bone is subjected to dynamic loading of variable amplitude in three directions corrono-apical, mesial-distal and bucco-lingual. These efforts simulate those of mastication. We show that compared to the implantation of a single implant, implantology using two implants promotes the weakening of the bones. This weakness is all the more likely that the implants are located in close proximity to one another.

Keywords: stress, bone, dental implant, distribution, stress levels, dynamic, effort, interaction, prosthesis

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1685 Investigation of the Turbulent Cavitating Flows from the Viewpoint of the Lift Coefficient

Authors: Ping-Ben Liu, Chien-Chou Tseng

Abstract:

The objective of this study is to investigate the relationship between the lift coefficient and dynamic behaviors of cavitating flow around a two-dimensional Clark Y hydrofoil at 8° angle of attack, cavitation number of 0.8, and Reynolds number of 7.10⁵. The flow field is investigated numerically by using a vapor transfer equation and a modified turbulence model which applies the filter and local density correction. The results including time-averaged lift/drag coefficient and shedding frequency agree well with experimental observations, which confirmed the reliability of this simulation. According to the variation of lift coefficient, the cycle which consists of growth and shedding of cavitation can be divided into three stages, and the lift coefficient at each stage behaves similarly due to the formation and shedding of the cavity around the trailing edge.

Keywords: Computational Fluid Dynamics, cavitation, turbulence, lift coefficient

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1684 Synthesis, Characterization, Theoretical Crystal Structures and Antitubercular Activity Study of (E)-N'-(2,4-Dihydroxybenzylidene) Nicotinohydrazide and Some of Its Metal Complexes

Authors: Ogunniran Kehinde Olurotimi, Adekoya Joseph, Ehi-Eromosele Cyril, Mehdi Shihab, Mesubi Adediran, Tadigoppula Narender

Abstract:

Nicotinic acid hydrazide and 2,4-dihydoxylbenzaldehyde were condensed at 20°C to form an acylhydrazone (H3L) with ONO coordination pattern. The structure of the acylhydrazone was elucidated by using CHN analyzer, ESI mass spectrometry, IR, 1H NMR, 13C NMR and 2D NMR such as COSY and HSQC. Thereafter, five novel metal complexes [Mn(II), Fe(II), Pt(II) Zn(II) and Pd(II)] of the hydrazone ligand were synthesized and their structural characterization were achieved by several physicochemical methods, namely elemental analysis, electronic spectra, infrared, EPR, molar conductivity and powder X-ray diffraction studies. Structural geometries of some of the compounds were supported by using Hyper Chem-8 program for the molecular mechanics and semi-empirical calculations. The stability energy (E) and electron potentials (eV) for the frontier molecules were calculated by using PM3 method. An octahedral geometry was suggested for both Pd(II) and Zn(II) complexes while both Mn(II) and Fe(II) complexes conformed with tetrahedral pyramidal. However, Pt(II) complex agreed with tetrahedral geometry. In vitro antitubercular activity study of the ligand and the metal complexes were evaluated against Mycobacterium tuberculosis, H37Rv, by using micro-diluted method. The results obtained revealed that (PtL1) (MIC = 0.56 µg/mL), (ZnL1) (MIC = 0.61 µg/mL), (MnL1) (MIC = 0.71 µg/mL) and (FeL1) (MIC = 0.82 µg/mL), exhibited a significant activity when compared with first line drugs such as isoniazid (INH) (MIC = 0.9 µg/mL). H3L1 exhibited lesser antitubercular activity with MIC value of 1.02 µg/mL. However, the metal complexes displayed higher cytoxicity but were found to be non-significant different (P ˂ 0.05) to isoniazid drug.

Keywords: hydrazones, electron spin resonance, thermogravimetric, powder X-ray diffraction, antitubercular agents

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1683 Monte Carlo Pathwise Sensitivities for Barrier Options with Application to Coco-Bond Calibration

Authors: Thomas Gerstner, Bastian von Harrach, Daniel Roth

Abstract:

The Monte Carlo pathwise sensitivities approach is well established for smooth payoff functions. In this work, we present a new Monte Carlo algorithm that is able to calculate the pathwise sensitivities for discontinuous payoff functions. Our main tool is the one-step survival idea of Glasserman and Staum. Although this technique yields to new terms per observation, while differentiating, the algorithm is still efficient. As an application, we use the results for a two-dimensional calibration of a Coco-Bond, which we model with different types of discretely monitored barrier options.

Keywords: Monte Carlo, discretely monitored barrier options, pathwise sensitivities, Coco-Bond

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1682 Numerical Studying the Real Analysis of the Seismic Response of the Soil

Authors: Noureddine Litim

Abstract:

This work is to theoretical and numerical studying the real analysis of the seismic response of the soil with an Elasto-plastic behavior. To perform this analysis, we used different core drilling performed at the tunnel T4 in El Horace section of the highway east-west. The two-dimensional model (2d) was established by the code of finite element plaxis to estimate the displacement amplification and accelerations caused by the seismic wave in the different core drilling and compared with the factor of acceleration given by the RPA (2003) in the area studying. Estimate the displacement amplification and accelerations caused by the seismic wave.

Keywords: seismic response, deposition of soil, plaxis, elasto-plastic

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1681 Analysis of Scattering Behavior in the Cavity of Phononic Crystals with Archimedean Tilings

Authors: Yi-Hua Chen, Hsiang-Wen Tang, I-Ling Chang, Lien-Wen Chen

Abstract:

The defect mode of two-dimensional phononic crystals with Archimedean tilings was explored in the present study. Finite element method and supercell method were used to obtain dispersion relation of phononic crystals. The simulations of the acoustic wave propagation within phononic crystals are demonstrated. Around the cavity which is created by removing several cylinders in the perfect Archimedean tilings, whispering-gallery mode (WGM) can be observed. The effects of the cavity geometry on the WGM modes are investigated. The WGM modes with high Q-factor and high cavity pressure can be obtained by phononic crystals with Archimedean tilings.

Keywords: defect mode, Archimedean tilings, phononic crystals, whispering-gallery modes

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1680 Some Basic Problems for the Elastic Material with Voids in the Case of Approximation N=1 of Vekua's Theory

Authors: Bakur Gulua

Abstract:

In this work, we consider some boundary value problems for the plate. The plate is the elastic material with voids. The state of plate equilibrium is described by the system of differential equations that is derived from three-dimensional equations of equilibrium of an elastic material with voids (Cowin-Nunziato model) by Vekua's reduction method. Its general solution is represented by means of analytic functions of a complex variable and solutions of Helmholtz equations. The problem is solved analytically by the method of the theory of functions of a complex variable.

Keywords: the elastic material with voids, boundary value problems, Vekua's reduction method, a complex variable

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1679 Cocrystal of Mesalamine for Enhancement of Its Biopharmaceutical Properties, Utilizing Supramolecular Chemistry Approach

Authors: Akshita Jindal, Renu Chadha, Maninder Karan

Abstract:

Supramolecular chemistry has gained recent eminence in a flurry of research documents demonstrating the formation of new crystalline forms with potentially advantageous characteristics. Mesalamine (5-amino salicylic acid) belongs to anti-inflammatory class of drugs, is used to treat ulcerative colitis and Crohn’s disease. Unfortunately, mesalamine suffer from poor solubility and therefore very low bioavailability. This work is focused on preparation and characterization of cocrystal of mesalamine with nicotinamide (MNIC) a coformer of GRAS status. Cocrystallisation was achieved by solvent drop grinding in stoichiometric ratio of 1:1 using acetonitrile as solvent and was characterized by various techniques including DSC (Differential Scanning Calorimetry), PXRD (X-ray Powder Diffraction), and FTIR (Fourier Transform Infrared Spectrometer). The co-crystal depicted single endothermic transitions (254°C) which were different from the melting peaks of both drug (288°C) and coformer (128°C) indicating the formation of a new solid phase. Different XRPD patterns and FTIR spectrums for the co-crystals from those of individual components confirms the formation of new phase. Enhancement in apparent solubility study and intrinsic dissolution study showed effectiveness of this cocrystal. Further improvement in pharmacokinetic profile has also been observed with 2 folds increase in bioavailability. To conclude, our results show that application of nicotinamide as a coformer is a viable approach towards the preparation of cocrystals of potential drug molecule having limited solubility.

Keywords: cocrystal, mesalamine, nicotinamide, solvent drop grinding

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1678 Recycling Carbon Fibers/Epoxy Composites Wastes in Building Materials Based on Geopolymer Binders

Authors: A. Saccani, I. Lancellotti, E. Bursi

Abstract:

Scraps deriving from the production of epoxy-carbon fibers composites have been recycled as a reinforcement to produce building materials. Short chopped fibers (5-7 mm length) have been added at low volume content (max 10%) to produce mortars. The microstructure, mechanical properties (mainly flexural strength) and dimensional stability of the derived materials have been investigated. Two different types of matrix have been used: one based on conventional Portland Cement and the other containing geopolymers formed starting from activated metakaolin and fly ashes. In the second case the materials is almost completely made of recycled ingredients. This is an attempt to produce reliable materials solving waste disposal problems. The first collected results show promising results.

Keywords: building materials, carbon fibres, fly ashes, geopolymers

Procedia PDF Downloads 154