Search results for: residual dipolar coupling
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1404

Search results for: residual dipolar coupling

1374 Estimation of Residual Stresses in Thick Walled Cylinder by Radial Basis Artificial Neural

Authors: Mohammad Heidari

Abstract:

In this paper a method for high strength steel is proposed of residual stresses in autofrettaged tubes by combination of artificial neural networks is presented. Many different thick walled cylinders that were subjected to different conditions were studied. At first, the residual stress is calculated by analytical solution. Then by changing of the parameters that influenced in residual stresses such as percentage of autofrettage, internal pressure, wall ratio of cylinder, material property of cylinder, bauschinger and hardening effect factor, a neural network is created. These parameters are the input of network. The output of network is residual stress. Numerical data, employed for training the network and capabilities of the model in predicting the residual stress has been verified. The output obtained from neural network model is compared with numerical results, and the amount of relative error has been calculated. Based on this verification error, it is shown that the radial basis function of neural network has the average error of 2.75% in predicting residual stress of thick wall cylinder. Further analysis of residual stress of thick wall cylinder under different input conditions has been investigated and comparison results of modeling with numerical considerations shows a good agreement, which also proves the feasibility and effectiveness of the adopted approach.

Keywords: thick walled cylinder, residual stress, radial basis, artificial neural network

Procedia PDF Downloads 384
1373 Mutual Coupling Reduction between Patch Antenna Array Elements Using Metamaterial Z Shaped Resonators

Authors: Oossama Tabbabi, Mondher Labidi, Fethi Choubani, J. David

Abstract:

Modern wireless communication systems require compact design, low cost and simple structure antennas to insure reliability, agility, and high efficiency characteristics. This paper presents a microstrip antenna array designed for 8 GHz applications. To reduce the mutual coupling effects, a Z shape metamaterial structure was imprinted in the microstrip antenna array composed of two elements. Simulation results show the improvement of mutual coupling by adding Z shape metamaterial structure to the antenna substrate. The proposed structure reduces mutual coupling by 19 dB. The simulation has been performed by using HFSS simulator.

Keywords: antenna array, compact design, modern wireless communication, mutual coupling effects

Procedia PDF Downloads 323
1372 The Interaction between Hydrogen and Surface Stress in Stainless Steel

Authors: Osamu Takakuwa, Yuta Mano, Hitoshi Soyama

Abstract:

This paper reveals the interaction between hydrogen and surface stress in austenitic stainless steel by X-ray diffraction stress measurement and thermal desorption analysis before and after being charged with hydrogen. The surface residual stress was varied by surface finishing using several disc polishing agents. The obtained results show that the residual stress near surface had a significant effect on hydrogen absorption behavior, that is, tensile residual stress promoted the hydrogen absorption and compressive one did opposite. Also, hydrogen induced equi-biaxial stress and this stress has a linear correlation with hydrogen content.

Keywords: hydrogen embrittlement, residual stress, surface finishing, stainless steel

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1371 A Numerical Study of the Interaction between Residual Stress Profiles Induced by Quasi-Static Plastification

Authors: Guilherme F. Guimaraes, Alfredo R. De Faria, Ronnie R. Rego, Andre L. R. D'Oliveira

Abstract:

The development of methods for predicting manufacturing phenomena steadily grows due to their high potential to contribute to the component’s performance and durability. One of the most relevant phenomena in manufacturing is the residual stress state development through the manufacturing chain. In most cases, the residual stresses have their origin due to heterogenous plastifications produced by the processes. Although a few manufacturing processes have been successfully approached by numerical modeling, there is still a lack of understanding on how these processes' interactions will affect the final stress state. The objective of this work is to analyze the influence of previous stresses on the residual stress state induced by plastic deformation of a quasi-static indentation. The model consists of a simplified approach of shot peening, modeling four cases with variations in indenter size and force. This model was validated through topography, measured by optical 3D focus-variation, and residual stress, measured with the X-ray diffraction technique. The validated model was then exposed to several initial stress states, and the effect on the final residual stress was analyzed.

Keywords: plasticity, residual stress, finite element method, manufacturing

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1370 A Terahertz Sensor and Dynamic Switch Based on a Bilayer Toroidal Metamaterial

Authors: Angana Bhattacharya, Rakesh Sarkar, Gagan Kumar

Abstract:

Toroidal resonances, a new class of electromagnetic excitations, demonstrate exceptional properties as compared to electric and magnetic dipolar resonances. The advantage of narrow linewidth in toroidal resonance is utilized in this proposed work, where a bilayer metamaterial (MM) sensor has been designed in the terahertz frequency regime (THz). A toroidal MM geometry in a single layer is first studied. A second identical MM geometry placed on top of the first layer results in the coupling of toroidal excitations, leading to an increase in the quality factor (Q) of the resonance. The sensing capability of the resonance is studied. Further, the dynamic switching from an 'off' stage to an 'on' stage in the bilayer configuration is explored. The ardent study of such toroidal bilayer MMs could provide significant potential in the development of bio-molecular and chemical sensors, switches, and modulators.

Keywords: toroidal resonance, bilayer, metamaterial, terahertz, sensing, switching

Procedia PDF Downloads 123
1369 Wave Interaction with Defects in Pressurized Composite Structures

Authors: R. K. Apalowo, D. Chronopoulos, V. Thierry

Abstract:

A wave finite element (WFE) and finite element (FE) based computational method is presented by which the dispersion properties as well as the wave interaction coefficients for one-dimensional structural system can be predicted. The structural system is discretized as a system comprising a number of waveguides connected by a coupling joint. Uniform nodes are ensured at the interfaces of the coupling element with each waveguide. Then, equilibrium and continuity conditions are enforced at the interfaces. Wave propagation properties of each waveguide are calculated using the WFE method and the coupling element is modelled using the FE method. The scattering of waves through the coupling element, on which damage is modelled, is determined by coupling the FE and WFE models. Furthermore, the central aim is to evaluate the effect of pressurization on the wave dispersion and scattering characteristics of the prestressed structural system compared to that which is not prestressed. Numerical case studies are exhibited for two waveguides coupled through a coupling joint.

Keywords: Finite Element, Prestressed Structures, Wave Finite Element, Wave Propagation Properties, Wave Scattering Coefficients.

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1368 Precise Determination of the Residual Stress Gradient in Composite Laminates Using a Configurable Numerical-Experimental Coupling Based on the Incremental Hole Drilling Method

Authors: A. S. Ibrahim Mamane, S. Giljean, M.-J. Pac, G. L’Hostis

Abstract:

Fiber reinforced composite laminates are particularly subject to residual stresses due to their heterogeneity and the complex chemical, mechanical and thermal mechanisms that occur during their processing. Residual stresses are now well known to cause damage accumulation, shape instability, and behavior disturbance in composite parts. Many works exist in the literature on techniques for minimizing residual stresses in thermosetting and thermoplastic composites mainly. To study in-depth the influence of processing mechanisms on the formation of residual stresses and to minimize them by establishing a reliable correlation, it is essential to be able to measure very precisely the profile of residual stresses in the composite. Residual stresses are important data to consider when sizing composite parts and predicting their behavior. The incremental hole drilling is very effective in measuring the gradient of residual stresses in composite laminates. This method is semi-destructive and consists of drilling incrementally a hole through the thickness of the material and measuring relaxation strains around the hole for each increment using three strain gauges. These strains are then converted into residual stresses using a matrix of coefficients. These coefficients, called calibration coefficients, depending on the diameter of the hole and the dimensions of the gauges used. The reliability of the incremental hole drilling depends on the accuracy with which the calibration coefficients are determined. These coefficients are calculated using a finite element model. The samples’ features and the experimental conditions must be considered in the simulation. Any mismatch can lead to inadequate calibration coefficients, thus introducing errors on residual stresses. Several calibration coefficient correction methods exist for isotropic material, but there is a lack of information on this subject concerning composite laminates. In this work, a Python program was developed to automatically generate the adequate finite element model. This model allowed us to perform a parametric study to assess the influence of experimental errors on the calibration coefficients. The results highlighted the sensitivity of the calibration coefficients to the considered errors and gave an order of magnitude of the precisions required on the experimental device to have reliable measurements. On the basis of these results, improvements were proposed on the experimental device. Furthermore, a numerical method was proposed to correct the calibration coefficients for different types of materials, including thick composite parts for which the analytical approach is too complex. This method consists of taking into account the experimental errors in the simulation. Accurate measurement of the experimental errors (such as eccentricity of the hole, angular deviation of the gauges from their theoretical position, or errors on increment depth) is therefore necessary. The aim is to determine more precisely the residual stresses and to expand the validity domain of the incremental hole drilling technique.

Keywords: fiber reinforced composites, finite element simulation, incremental hole drilling method, numerical correction of the calibration coefficients, residual stresses

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1367 Improving the Optoacoustic Signal by Monitoring the Changes of Coupling Medium

Authors: P. Prasannakumar, L. Myoung Young, G. Seung Kye, P. Sang Hun, S. Chul Gyu

Abstract:

In this paper, we discussed the coupling medium in the optoacoustic imaging. The coupling medium is placed between the scanned object and the ultrasound transducers. Water with varying temperature was used as the coupling medium. The water temperature is gradually varied between 25 to 40 degrees. This heating process is taken with care in order to avoid the bubble formation. Rise in the photoacoustic signal is noted through an unfocused transducer with frequency of 2.25 MHz as the temperature increases. The temperature rise is monitored using a NTC thermistor and the values in degrees are calculated using an embedded evaluation kit. Also the temperature is transmitted to PC through a serial communication. All these processes are synchronized using a trigger signal from the laser source.

Keywords: embedded, optoacoustic, ultrasound , unfocused transducer

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1366 Carbonylative Cross Coupling of 2-Bromopyridine with Different Boronic Acids under Carbon Monoxide Atmosphere

Authors: N. Touj, M. Sauthier, L. Mansour, N. Hamdi

Abstract:

The palladium NHC complexes are one of the most interesting and widely investigated complexes in different catalytic transformations, especially C–C bond. Thus, the use of N-heterocyclic carbenes associated with palladium has been reported as efficient catalysts for the carbonyl coupling under mild and varied conditions. Herein, we report the synthesis, characterization, and cytotoxic activities of two new families of benzimidazolium salts. Then we studied the use of this class of benzimidazolium salts as a ligand in the carbonylative cross-coupling of 2-bromopyridine with different boronic acids under CO atmosphere to form unsymmetrical arylpyridine ketones.

Keywords: NHC-Pd(II) catalysts, carbonylative Suzuki cross-coupling reaction, arylboronic acids, 2-bromopyridine, unsymmetrical arylpyridine ketones

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1365 Residual Life Estimation of K-out-of-N Cold Standby System

Authors: Qian Zhao, Shi-Qi Liu, Bo Guo, Zhi-Jun Cheng, Xiao-Yue Wu

Abstract:

Cold standby redundancy is considered to be an effective mechanism for improving system reliability and is widely used in industrial engineering. However, because of the complexity of the reliability structure, there is little literature studying on the residual life of cold standby system consisting of complex components. In this paper, a simulation method is presented to predict the residual life of k-out-of-n cold standby system. In practical cases, failure information of a system is either unknown, partly unknown or completely known. Our proposed method is designed to deal with the three scenarios, respectively. Differences between the procedures are analyzed. Finally, numerical examples are used to validate the proposed simulation method.

Keywords: cold standby system, k-out-of-n, residual life, simulation sampling

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1364 Effect of Coupling Media on Ultrasonic Pulse Velocity in Concrete: A Preliminary Investigation

Authors: Sura Al-Khafaji, Phil Purnell

Abstract:

Measurement of the ultrasonic pulse velocity (UPV) is an important tool in diagnostic examination of concrete. In this method piezoelectric transducers are normally held in direct contact with the concrete surface. The current study aims to test the hypothesis that a preferential coupling effect might exist i.e. that the speed of sound measured depends on the couplant used. In this study, different coupling media of varying acoustic impedance were placed between the transducers and concrete samples made with constant aggregate content but with different compressive strengths. The preliminary results show that using coupling materials (both solid and a range of liquid substances) has an effect on the pulse velocity measured in a given concrete. The effect varies depending on the material used. The UPV measurements with solid coupling were higher than these from the liquid coupling at all strength levels. The tests using couplants generally recorded lower UPV values than the conventional test, except when carbon fiber composite was used, which retuned higher values. Analysis of variances (ANOVA) was performed to confirm that there are statistically significant differences between the measurements recorded using a conventional system and a coupled system.

Keywords: compressive strength, coupling effect, statistical analysis, ultrasonic

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1363 Residual Compressive Strength of Drilled Glass Fiber Reinforced Composites

Authors: Navid Zarif Karimi, Giangiacomo Minak, Parnian Kianfar

Abstract:

Drilling is one of the most frequently used machining process for glass fiber reinforced polymer composites due to the need for structural joining. In drilling of composite laminates, interlaminar cracking, or delamination, has a detrimental effect on the compressive strength of these materials. The delamination can be controlled by adopting proper drilling condition. In this paper, the effect of feed rate, cutting speed and drill point angle on delamination and residual compressive strength of drilled GFRPs is studied. The objective is to find optimal conditions for maximum residual compressive strength.

Keywords: composite material, delamination, drilling, residual compressive strength

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1362 Cross Coupling Sliding Mode Synchronization Control of Dual-Driving Feed System

Authors: Hong Lu, Wei Fan, Yongquan Zhang, Junbo Zhang

Abstract:

A cross coupling sliding synchronization control strategy is proposed for the dual-driving feed system. This technology will minimize the position error oscillation and achieve the precise synchronization performance in the high speed and high precision drive system, especially some high speed and high precision machine. Moreover, a cross coupling compensation matrix is provided to offset the mismatched disturbance and the disturbance observer is established to eliminate the chattering phenomenon. Performance comparisons of proposed dual-driving cross coupling sliding mode control (CCSMC), normal cross coupling control (CCC) strategy with PID control, and electronic virtual main shaft control (EVMSC) strategy with SMC control are investigated by simulation and a dual-driving control system; the results show the effectiveness of the proposed control scheme.

Keywords: cross coupling matrix, dual motors, synchronization control, sliding mode control

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1361 Spectrophotometric Determination of Phenylephrine Hydrochloride by Coupling with Diazotized 2,4-Dinitroaniline

Authors: Sulaiman Gafar Muhamad

Abstract:

A rapid spectrophotometric method for the micro-determination of phenylephrine-HCl (PHE) has been developed. The proposed method involves the coupling of phenylephrine-HCl with diazotized 2,4-dinitroaniline in alkaline medium at λmax 455 nm. Under the present optimum condition, Beer’s law was obeyed in the range of 1.0-20 μg/ml of PHE with molar absorptivity of 1.915 ×104 l. mol-1.cm-1, with a relative error of 0.015 and a relative standard deviation of 0.024%. The current method has been applied successfully to estimate phenylephrine-HCl in pharmaceutical preparations (nose drop and syrup).

Keywords: diazo-coupling, 2, 4-dinitroaniline, phenylephrine-HCl, spectrophotometry

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1360 Residual Life Prediction for a System Subject to Condition Monitoring and Two Failure Modes

Authors: Akram Khaleghei, Ghosheh Balagh, Viliam Makis

Abstract:

In this paper, we investigate the residual life prediction problem for a partially observable system subject to two failure modes, namely a catastrophic failure and a failure due to the system degradation. The system is subject to condition monitoring and the degradation process is described by a hidden Markov model with unknown parameters. The parameter estimation procedure based on an EM algorithm is developed and the formulas for the conditional reliability function and the mean residual life are derived, illustrated by a numerical example.

Keywords: partially observable system, hidden Markov model, competing risks, residual life prediction

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1359 Evaluation of Residual Stresses in Human Face as a Function of Growth

Authors: M. A. Askari, M. A. Nazari, P. Perrier, Y. Payan

Abstract:

Growth and remodeling of biological structures have gained lots of attention over the past decades. Determining the response of living tissues to mechanical loads is necessary for a wide range of developing fields such as prosthetics design or computerassisted surgical interventions. It is a well-known fact that biological structures are never stress-free, even when externally unloaded. The exact origin of these residual stresses is not clear, but theoretically, growth is one of the main sources. Extracting body organ’s shapes from medical imaging does not produce any information regarding the existing residual stresses in that organ. The simplest cause of such stresses is gravity since an organ grows under its influence from birth. Ignoring such residual stresses might cause erroneous results in numerical simulations. Accounting for residual stresses due to tissue growth can improve the accuracy of mechanical analysis results. This paper presents an original computational framework based on gradual growth to determine the residual stresses due to growth. To illustrate the method, we apply it to a finite element model of a healthy human face reconstructed from medical images. The distribution of residual stress in facial tissues is computed, which can overcome the effect of gravity and maintain tissues firmness. Our assumption is that tissue wrinkles caused by aging could be a consequence of decreasing residual stress and thus not counteracting gravity. Taking into account these stresses seems therefore extremely important in maxillofacial surgery. It would indeed help surgeons to estimate tissues changes after surgery.

Keywords: finite element method, growth, residual stress, soft tissue

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1358 Experiments on Residual Compressive Strength After Fatigue of Carbon Fiber Fabric Composites in Hydrothermal Environment

Authors: Xuan Sun, Mingbo Tong

Abstract:

In order to study the effect of hydrothermal environment on the fatigue properties of carbon fiber fabric composites, the experiments on fatigue and residual compressive strength with the center-hole laminates were carried out. For the experiments on fatigue in hydrothermal environment, an environmental chamber used for hydrothermal environment was designed, and the FLUENT was used to simulate the field of temperature in the environmental chamber, it proved that the design met the test requirements. In accordance with ASTM standard, the fatigue test fixture and compression test fixture were designed and produced. Then the tension-compression fatigue tests were carried out in conditions of standard environment (temperature of 23+2℃, relative humidity of 50+/-5%RH) and hydrothermal environment (temperature of 70 +2℃, relative humidity of 85+/-5%RH). After that, the residual compressive strength tests were carried out, respectively. The residual compressive strength after fatigue in condition of standard environment was set as a reference value, compared with the value in condition of hydrothermal environment, calculating the difference between them. According to the result of residual compressive strength tests, it shows that the residual compressive strength after fatigue in condition of hydrothermal environment was decreased by 13.5%,so the hydrothermal environment has little effect on the residual compressive strength of carbon fiber fabric composites laminates after fatigue under load spectrum in this research.

Keywords: carbon fiber, hydrothermal environment, fatigue, residual compressive strength

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1357 Stability of a Self-Excited Machine Due to the Mechanical Coupling

Authors: M. Soltan Rezaee, M. R. Ghazavi, A. Najafi, W.-H. Liao

Abstract:

Generally, different rods in shaft systems can be misaligned based on the mechanical system usages. These rods can be linked together via U-coupling easily. The system is self-stimulated and may cause instabilities due to the inherent behavior of the coupling. In this study, each rod includes an elastic shaft with an angular stiffness and structural damping. Moreover, the mass of shafts is considered via attached solid disks. The impact of the system architecture and shaft mass on the instability of such mechanism are studied. Stability charts are plotted via a method based on Floquet theory. Eventually, the unstable points have been found and analyzed in detail. The results show that stabilizing the driveline is feasible by changing the system characteristics which include shaft mass and architecture.

Keywords: coupling, mechanical systems, oscillations, rotating shafts

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1356 The Effect of Material Properties and Volumetric Changes in Phase Transformation to the Final Residual Stress of Welding Process

Authors: Djarot B. Darmadi

Abstract:

The wider growing Finite Element Method (FEM) application is caused by its benefits of cost saving and environment friendly. Also, by using FEM a deep understanding of certain phenomenon can be achieved. This paper observed the role of material properties and volumetric change when Solid State Phase Transformation (SSPT) takes place in residual stress formation due to a welding process of ferritic steels through coupled Thermo-Metallurgy-Mechanical (TMM) analysis. The correctness of FEM residual stress prediction was validated by experiment. From parametric study of the FEM model, it can be concluded that the material properties change tend to over-predicts residual stress in the weld center whilst volumetric change tend to underestimates it. The best final result is the compromise of both by incorporates them in the model which has a better result compared to a model without SSPT.

Keywords: residual stress, ferritic steels, SSPT, coupled-TMM

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1355 Ultrastrong Coupling of CdZnS/ZnS Quantum Dots and Breathing Plasmons in Aluminum Metal-Insulator-Metal Nanocavities in Near-Ultraviolet Spectrum

Authors: Li Li, Lei Wang, Chenglin Du, Mengxin Ren, Xinzheng Zhang, Wei Cai, Jingjun Xu

Abstract:

Strong coupling between excitons of quantum dots and plasmons in nanocavites can be realized at room temperature due to the strong confinement of the plasmon fields, which offers building blocks for quantum information systems or ultralow-power switches and lasers. In this work, by using cathodoluminescence, ultrastrong coupling with Rabi splitting above 1 eV between breathing plasmons in Aluminum metal-insulator-metal (MIM) cavity and excited state of CdZnS/ZnS quantum dots was reported in near-UV spectrum. Analytic analysis and full-wave electromagnetic simulations provide the evidence for the strong coupling and confirm the hybridization of the QDs exciton and LSP breathing mode. This study opens the way for new emerging applications based on strongly coupled light-matter states all over the visible region down to ultra-violet frequencies.

Keywords: breathing mode, plasmonics, quantum dot, strong coupling, ultraviolet

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1354 Lattice Dynamics of (ND4Br)x(KBr)1-x Mixed Crystals

Authors: Alpana Tiwari, N. K. Gaur

Abstract:

We have incorporated the translational rotational (TR) coupling effects in the framework of three body force shell model (TSM) to develop an extended TSM (ETSM). The dynamical matrix of ETSM has been applied to compute the phonon frequencies of orientationally disordered mixed crystal (ND4Br)x(KBr)1-x in (q00), (qq0) and (qqq) symmetry directions for compositions 0.10≤x≤0.50 at T=300K.These frequencies are plotted as a function of wave vector k. An unusual acoustic mode softening is found along symmetry directions (q00) and (qq0) as a result of translation-rotation coupling.

Keywords: orientational glass, phonons, TR-coupling, lattice dynamics

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1353 QI Wireless Charging a Scope of Magnetic Inductive Coupling

Authors: Sreenesh Shashidharan, Umesh Gaikwad

Abstract:

QI or 'Chee' which is an interface standard for inductive electrical power transfer over distances of up to 4 cm (1.6 inches). The Qi system comprises a power transmission pad and a compatible receiver in a portable device which is placed on top of the power transmission pad, which charges using the principle of electromagnetic induction. An alternating current is passed through the transmitter coil, generating a magnetic field. This, in turn, induces a voltage in the receiver coil; this can be used to power a mobile device or charge a battery. The efficiency of the power transfer depends on the coupling (k) between the inductors and their quality (Q) The coupling is determined by the distance between the inductors (z) and the relative size (D2 /D). The coupling is further determined by the shape of the coils and the angle between them. If the receiver coil is at a certain distance to the transmitter coil, only a fraction of the magnetic flux, which is generated by the transmitter coil, penetrates the receiver coil and contributes to the power transmission. The more flux reaches the receiver, the better the coils are coupled.

Keywords: inductive electric power, electromagnetic induction, magnetic flux, coupling

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1352 Synthesis, Characterization of Pd Nanoparticle Supported on Amine-Functionalized Graphene and Its Catalytic Activity for Suzuki Coupling Reaction

Authors: Surjyakanta Rana, Sreekantha B. Jonnalagadda

Abstract:

Synthesis of well distributed Pd nanoparticles (3 – 7 nm) on organo amine-functionalized graphene is reported, which demonstrated excellent catalytic activity towards Suzuki coupling reaction. The active material was characterized by X-ray diffraction (XRD), BET surface area, X-ray photoelectron spectra (XPS), Fourier-transfer infrared spectroscopy (FTIR), Raman spectra, Scanning electron microscope (SEM), Transmittance electron microscopy (TEM) analysis and HRTEM. FT-IR revealed that the organic amine functional group was successfully grafted onto the graphene oxide surface. The formation of palladium nanoparticles was confirmed by XPS, TEM and HRTEM techniques. The catalytic activity in the coupling reaction was superb with 100% conversion and 98 % yield and also activity remained almost unaltered up to six cycles. Typically, an extremely high turnover frequency of 185,078 h-1 is observed in the C-C Suzuki coupling reaction using organo di-amine functionalized graphene as catalyst.

Keywords: Di-amine, graphene, Pd nanoparticle, suzuki coupling

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1351 Coupling of Two Discretization Schemes for the Lattice Boltzmann Equation

Authors: Tobias Horstmann, Thomas Le Garrec, Daniel-Ciprian Mincu, Emmanuel Lévêque

Abstract:

Despite the efficiency and low dissipation of the stream-collide formulation of the Lattice Boltzmann (LB) algorithm, which is nowadays implemented in many commercial LBM solvers, there are certain situations, e.g. mesh transition, in which a classical finite-volume or finite-difference formulation of the LB algorithm still bear advantages. In this paper, we present an algorithm that combines the node-based streaming of the distribution functions with a second-order finite volume discretization of the advection term of the BGK-LB equation on a uniform D2Q9 lattice. It is shown that such a coupling is possible for a multi-domain approach as long as the overlap, or buffer zone, between two domains, is achieved on at least 2Δx. This also implies that a direct coupling (without buffer zone) of a stream-collide and finite-volume LB algorithm on a single grid is not stable. The critical parameter in the coupling is the CFL number equal to 1 that is imposed by the stream-collide algorithm. Nevertheless, an explicit filtering step on the finite-volume domain can stabilize the solution. In a further investigation, we demonstrate how such a coupling can be used for mesh transition, resulting in an intrinsic conservation of mass over the interface.

Keywords: algorithm coupling, finite volume formulation, grid refinement, Lattice Boltzmann method

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1350 A Photoredox (C)sp³-(C)sp² Coupling Method Comparison Study

Authors: Shasline Gedeon, Tiffany W. Ardley, Ying Wang, Nathan J. Gesmundo, Katarina A. Sarris, Ana L. Aguirre

Abstract:

Drug discovery and delivery involve drug targeting, an approach that helps find a drug against a chosen target through high throughput screening and other methods by way of identifying the physical properties of the potential lead compound. Physical properties of potential drug candidates have been an imperative focus since the unveiling of Lipinski's Rule of 5 for oral drugs. Throughout a compound's journey from discovery, clinical phase trials, then becoming a classified drug on the market, the desirable properties are optimized while minimizing/eliminating toxicity and undesirable properties. In the pharmaceutical industry, the ability to generate molecules in parallel with maximum efficiency is a substantial factor achieved through sp²-sp² carbon coupling reactions, e.g., Suzuki Coupling reactions. These reaction types allow for the increase of aromatic fragments onto a compound. More recent literature has found benefits to decreasing aromaticity, calling for more sp³-sp² carbon coupling reactions instead. The objective of this project is to provide a comparison between various sp³-sp² carbon coupling methods and reaction conditions, collecting data on production of the desired product. There were four different coupling methods being tested amongst three cores and 4-5 installation groups per method; each method ran under three distinct reaction conditions. The tested methods include the Photoredox Decarboxylative Coupling, the Photoredox Potassium Alkyl Trifluoroborate (BF3K) Coupling, the Photoredox Cross-Electrophile (PCE) Coupling, and the Weix Cross-Electrophile (WCE) Coupling. The results concluded that the Decarboxylative method was very difficult in yielding product despite the several literature conditions chosen. The BF3K and PCE methods produced competitive results. Amongst the two Cross-Electrophile coupling methods, the Photoredox method surpassed the Weix method on numerous accounts. The results will be used to build future libraries.

Keywords: drug discovery, high throughput chemistry, photoredox chemistry, sp³-sp² carbon coupling methods

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1349 Residual Lifetime Estimation for Weibull Distribution by Fusing Expert Judgements and Censored Data

Authors: Xiang Jia, Zhijun Cheng

Abstract:

The residual lifetime of a product is the operation time between the current time and the time point when the failure happens. The residual lifetime estimation is rather important in reliability analysis. To predict the residual lifetime, it is necessary to assume or verify a particular distribution that the lifetime of the product follows. And the two-parameter Weibull distribution is frequently adopted to describe the lifetime in reliability engineering. Due to the time constraint and cost reduction, a life testing experiment is usually terminated before all the units have failed. Then the censored data is usually collected. In addition, other information could also be obtained for reliability analysis. The expert judgements are considered as it is common that the experts could present some useful information concerning the reliability. Therefore, the residual lifetime is estimated for Weibull distribution by fusing the censored data and expert judgements in this paper. First, the closed-forms concerning the point estimate and confidence interval for the residual lifetime under the Weibull distribution are both presented. Next, the expert judgements are regarded as the prior information and how to determine the prior distribution of Weibull parameters is developed. For completeness, the cases that there is only one, and there are more than two expert judgements are both focused on. Further, the posterior distribution of Weibull parameters is derived. Considering that it is difficult to derive the posterior distribution of residual lifetime, a sample-based method is proposed to generate the posterior samples of Weibull parameters based on the Monte Carlo Markov Chain (MCMC) method. And these samples are used to obtain the Bayes estimation and credible interval for the residual lifetime. Finally, an illustrative example is discussed to show the application. It demonstrates that the proposed method is rather simple, satisfactory, and robust.

Keywords: expert judgements, information fusion, residual lifetime, Weibull distribution

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1348 Prediction and Optimization of Machining Induced Residual Stresses in End Milling of AISI 1045 Steel

Authors: Wajid Ali Khan

Abstract:

Extensive experimentation and numerical investigation are performed to predict the machining-induced residual stresses in the end milling of AISI 1045 steel, and an optimization code has been developed using the particle swarm optimization technique. Experiments were conducted using a single factor at a time and design of experiments approach. Regression analysis was done, and a mathematical model of the cutting process was developed, thus predicting the machining-induced residual stress with reasonable accuracy. The mathematical model served as the objective function to be optimized using particle swarm optimization. The relationship between the different cutting parameters and the output variables, force, and residual stresses has been studied. The combined effect of the process parameters, speed, feed, and depth of cut was examined, and it is understood that 85% of the variation of these variables can be attributed to these machining parameters under research. A 3D finite element model is developed to predict the cutting forces and the machining-induced residual stresses in end milling operation. The results were validated experimentally and against the Johnson-cook model available in the literature.

Keywords: residual stresses, end milling, 1045 steel, optimization

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1347 Development of New Localized Surface Plasmon Resonance Interfaces Based on ITO Au NPs/ Polymer for Nickel Detection

Authors: F. Z. Tighilt, N. Belhaneche-Bensemra, S. Belhousse, S. Sam, K. Lasmi, N. Gabouze

Abstract:

Recently, the gold nanoparticles (Au NPs) became an active multidisciplinary research topic. First, Au thin films fabricated by alkylthiol-functionalized Au NPs were found to have vapor sensitive conductivities, they were hence widely investigated as electrical chemiresistors for sensing different vapor analytes and even organic molecules in aqueous solutions. Second, Au thin films were demonstrated to have speciallocalized surface plasmon resonances (LSPR), so that highly ordered 2D Au superlattices showed strong collective LSPR bands due to the near-field coupling of adjacent nanoparticles and were employed to detect biomolecular binding. Particularly when alkylthiol ligands were replaced by thiol-terminated polymers, the resulting polymer-modified Au NPs could be readily assembled into 2D nanostructures on solid substrates. Monolayers of polystyrene-coated Au NPs showed typical dipolar near-field interparticle plasmon coupling of LSPR. Such polymer-modified Au nanoparticle films have an advantage that the polymer thickness can be feasibly controlled by changing the polymer molecular weight. In this article, the effect of tin-doped indium oxide (ITO) coatings on the plasmonic properties of ITO interfaces modified with gold nanostructures (Au NSs) is investigated. The interest in developing ITO overlayers is multiple. The presence of a con-ducting ITO overlayer creates a LSPR-active interface, which can serve simultaneously as a working electrode in an electro-chemical setup. The surface of ITO/ Au NPs contains hydroxyl groups that can be used to link functional groups to the interface. Here the covalent linking of nickel /Au NSs/ITO hybrid LSPR platforms will be presented.

Keywords: conducting polymer, metal nanoparticles (NPs), LSPR, poly (3-(pyrrolyl)–carboxylic acid), polypyrrole

Procedia PDF Downloads 244
1346 Competing Risks Modeling Using within Node Homogeneity Classification Tree

Authors: Kazeem Adesina Dauda, Waheed Babatunde Yahya

Abstract:

To design a tree that maximizes within-node homogeneity, there is a need for a homogeneity measure that is appropriate for event history data with multiple risks. We consider the use of Deviance and Modified Cox-Snell residuals as a measure of impurity in Classification Regression Tree (CART) and compare our results with the results of Fiona (2008) in which homogeneity measures were based on Martingale Residual. Data structure approach was used to validate the performance of our proposed techniques via simulation and real life data. The results of univariate competing risk revealed that: using Deviance and Cox-Snell residuals as a response in within node homogeneity classification tree perform better than using other residuals irrespective of performance techniques. Bone marrow transplant data and double-blinded randomized clinical trial, conducted in other to compare two treatments for patients with prostate cancer were used to demonstrate the efficiency of our proposed method vis-à-vis the existing ones. Results from empirical studies of the bone marrow transplant data showed that the proposed model with Cox-Snell residual (Deviance=16.6498) performs better than both the Martingale residual (deviance=160.3592) and Deviance residual (Deviance=556.8822) in both event of interest and competing risks. Additionally, results from prostate cancer also reveal the performance of proposed model over the existing one in both causes, interestingly, Cox-Snell residual (MSE=0.01783563) outfit both the Martingale residual (MSE=0.1853148) and Deviance residual (MSE=0.8043366). Moreover, these results validate those obtained from the Monte-Carlo studies.

Keywords: within-node homogeneity, Martingale residual, modified Cox-Snell residual, classification and regression tree

Procedia PDF Downloads 241
1345 Experimental and Numerical Analysis of the Effects of Ball-End Milling Process upon Residual Stresses and Cutting Forces

Authors: Belkacem Chebil Sonia, Bensalem Wacef

Abstract:

The majority of ball end milling models includes only the influence of cutting parameters (cutting speed, feed rate, depth of cut). Furthermore, this influence is studied in most of works on cutting force. Therefore, this study proposes an accurate ball end milling process modeling which includes also the influence of tool workpiece inclination. In addition, a characterization of residual stresses resulting of thermo mechanical loading in the workpiece was also presented. Moreover, the study of the influence of tool workpiece inclination and cutting parameters was made on residual stresses distribution. In order to achieve the predetermination of cutting forces and residual stresses during a milling operation, a thermo mechanical three-dimensional numerical model of ball end milling was developed. Furthermore, an experimental companion of ball end milling tests was realized on a 5-axis machining center to determine the cutting forces and characterize the residual stresses. The simulation results are compared with the experiment to validate the Finite Element Model and subsequently identify the optimum inclination angle and cutting parameters.

Keywords: ball end milling, cutting forces, cutting parameters, residual stress, tool-workpiece inclination

Procedia PDF Downloads 279