Search results for: dissipative anchoring

Authors: Wiem Ben Khalifa, Dalila Souilem, Mahmoud Neji

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The evolutions of Social Web and Semantic Web lead us to ask ourselves about the way of supporting the personalization of learning by means of intelligent filtering of educational resources published in the digital networks. We recommend personalized courses of learning articulated around a first educational course defined upstream. Resuming the context and the stakes in the personalization, we also suggest anchoring the personalization of learning in a community of interest within a group of learners enrolled in the same training. This reflection is supported by the display of an active and semantic system of learning dedicated to the constitution of personalized to measure courses and in the due time.

Keywords: Semantic Web, semantic system, ontology, evaluation, e-learning

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Authors: Khaled I. Nawafleh

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In this work, we apply the method of Hamilton-Jacobi to obtain solutions of Hamiltonian systems in classical mechanics with two certain structures: the first structure plays a central role in the theory of time-dependent Hamiltonians, whilst the second is used to treat classical Hamiltonians, including dissipation terms. It is proved that the generalization of problems from the calculus of variation methods in the nonstationary case can be obtained naturally in Hamilton-Jacobi formalism. Then, another expression of geometry of the Hamilton Jacobi equation is retrieved for Hamiltonians with time-dependent and frictional terms. Both approaches shall be applied to many physical examples.

Keywords: Hamilton-Jacobi, time dependent lagrangians, dissipative systems, variational principle

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Authors: Ali Bhayani

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College is a high involvement decision making where students are expected to evaluate several college offerings before selecting a college or a course to study. However, even in high involvement product like college, students get influenced by opinion leaders and suffer from social contagion. This narrative style study, involving 98 first year students, was able to demonstrate that social contagion differs with regards to gender, ethnicity and personality. Recommendations from students with academically strong background would impact on the college choice of the undergraduate students and limit information search. Study was able to identify the incidence of anchoring heuristics amongst the students. Managerial implications with regards to design of marketing campaign follows at the end of the study.

Keywords: social contagion, opinion leaders, higher education, consumer behavior

Procedia PDF Downloads 337

Authors: Hela Ayeb Mrabtini, Ghazi Bellakhal, Jamel Chahed

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The presence of the dispersed phase in gas-liquid bubbly flow considerably alters the liquid turbulence. The bubbles induce turbulent fluctuations that enhance the global liquid turbulence level and alter the mechanisms of turbulence. RANS modeling of uniformly sheared flows on an isolated sphere centered in a control volume is performed using first and second order turbulence closures. The sphere is placed in the production-dissipation equilibrium zone where the liquid velocity is set equal to the relative velocity of the bubbles. The void fraction is determined by the ratio between the sphere volume and the control volume. The analysis of the turbulence statistics on the control volume provides numerical results that are interpreted with regard to the effect of the bubbles wakes on the turbulence structure in uniformly sheared bubbly flow. We assumed for this purpose that at low void fraction where there is no hydrodynamic interaction between the bubbles, the single-phase flow simulation on an isolated sphere is representative on statistical average of a sphere network. The numerical simulations were firstly validated against the experimental data of bubbly homogeneous turbulence with constant shear and then extended to produce numerical results for a wide range of shear rates from 0 to 10 s^-1. These results are compared with our turbulence closure proposed for gas-liquid bubbly flows. In this closure, the turbulent stress tensor in the liquid is split into a turbulent dissipative part produced by the gradient of the mean velocity which also contains the turbulence generated in the bubble wakes and a pseudo-turbulent non-dissipative part induced by the bubbles displacements. Each part is determined by a specific transport equation. The simulations of uniformly sheared flows on an isolated sphere reproduce the mechanisms related to the turbulent part, and the numerical results are in perfect accordance with the modeling of the transport equation of the turbulent part. The reduction of second order turbulence closure provides a description of the modification of turbulence structure by the bubbles presence using a dimensionless number expressed in terms of two-time scales characterizing the turbulence induced by the shear and that induced by bubbles displacements. The numerical simulations carried out in the framework of a comprehensive analysis reproduce particularly the attenuation of the turbulent friction showed in the experimental results of bubbly homogeneous turbulence subjected to a constant shear.

Keywords: gas-liquid bubbly flows, homogeneous turbulence, turbulence closure, uniform shear

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Authors: S. Mowafi, A. Abou El-Kheir, M. Abou Taleb, H. El-Sayed

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Two proteinic biopolymers; namely keratin and sericin, were extracted from their respective natural resources by simple appropriate methods. The said proteins were dissolved in the appropriate solvents followed by regeneration in a form of film polyvinyl alcohol. Protein-starch-potassium iodide (PSPI) composite was prepared by anchoring starch and potassium iodide mixture onto the film surface using appropriate polymeric material. The possibility of using PSPI composite for determination of the concentration of chlorine ions in domestic as well as industrial water was examined. The concentration of chlorine in water was determined spectrophotometrically by measuring the intensity of blue colour of formed between starch and the released iodine obtained by interaction of potassium iodide chlorine in the tested water sample.

Keywords: chlorine, protein, potassium iodide, water

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Authors: Fatma Soltani

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In power electronics the DC-DC converters or choppers are now employed in large areas, particularly in the field of electricity generation by wind and solar energy conversion. Photovoltaic generators (GPV) can deliver maximum power for a point on the characteristic P = f (Vpv), called maximum power point (MPP), or climatic variations, entraiment fluctuation PPM. To remedy this problem is interposed between the generator and receiver a DC-DC converter. The converter is usually used a simple MOSFET chopper. However, the MOSFET can be applied in the field of low power when you need a high switching frequency but becomes highly dissipative when should block large voltages For PV generators medium and high power, the use of IGBT chopper is by far the most recommended. To reduce stress on semiconductor components using several choppers series connected in parallel is known as interleaved chopper. These choppers lead to rotas.

Keywords: converter DC-DC entrelaced

, photovoltaic generators, IGBT, optimisation

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Authors: Donghun Jeong, Somyoung Shin, Yeoil Yun

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A large-scale traffic accident refers to an accident in which more than three people die or more than thirty people are dead or injured. In order to prevent a large-scale traffic accident from causing a big loss of lives or establish effective improvement measures, it is important to analyze accident situations in-depth and understand the effects of major accident variables on an accident. This study aims to analyze the contribution of individual accident variables to accident results, based on the accurate reconstruction of traffic accidents using PC-Crash’s Multi-Body, which is an accident reconstruction program, and simulation of each scenario. Multi-Body system of PC-Crash accident reconstruction program is used for multi-body accident reconstruction that shows motions in diverse directions that were not approached previously. MB System is to design and reproduce a form of body, which shows realistic motions, using several bodies. Targeting the 'freight truck cargo drop accident around the Changwon Tunnel' that happened in November 2017, this study conducted a simulation of the freight truck cargo drop accident and analyzed the contribution of individual accident majors. Then on the basis of the driving speed, cargo load, and stacking method, six scenarios were devised. The simulation analysis result displayed that the freight car was driven at a speed of 118km/h(speed limit: 70km/h) right before the accident, carried 196 oil containers with a weight of 7,880kg (maximum load: 4,600kg) and was not fully equipped with anchoring equipment that could prevent a drop of cargo. The vehicle speed, cargo load, and cargo anchoring equipment were major accident variables, and the accident contribution analysis results of individual variables are as follows. When the freight car only obeyed the speed limit, the scattering distance of oil containers decreased by 15%, and the number of dropped oil containers decreased by 39%. When the freight car only obeyed the cargo load, the scattering distance of oil containers decreased by 5%, and the number of dropped oil containers decreased by 34%. When the freight car obeyed both the speed limit and cargo load, the scattering distance of oil containers fell by 38%, and the number of dropped oil containers fell by 64%. The analysis result of each scenario revealed that the overspeed and excessive cargo load of the freight car contributed to the dispersion of accident damage; in the case of a truck, which did not allow a fall of cargo, there was a different type of accident when driven too fast and carrying excessive cargo load, and when the freight car obeyed the speed limit and cargo load, there was the lowest possibility of causing an accident.

Keywords: accident reconstruction, large-scale traffic accident, PC-Crash, MB system

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Authors: Khaled I. Nawafleh

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In this paper, it provide the canonical approach for studying dissipated oscillators based on the doubling of degrees of freedom. Clearly, expressions for Lagrangians of the elementary modes of the system are given, which ends with the familiar classical equations of motion for the dissipative oscillator. The equation for one variable is the time reversed of the motion of the second variable. it discuss in detail the extended Bateman Lagrangian specifically for a dual extended damped oscillator time-dependent. A Hamilton-Jacobi analysis showing the equivalence with the Lagrangian approach is also obtained. For that purpose, the techniques of separation of variables were applied, and the quantization process was achieved.

Keywords: doubling of degrees of freedom, dissipated harmonic oscillator, Hamilton-Jacobi, time-dependent lagrangians, quantization

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Authors: Surbhi Rani, Sunita Gakkhar

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The four-dimensional food web system consisting of two prey species for a generalist middle predator and a top predator is proposed and investigated. The middle predator is predating both the prey species with a modified Holling type-II functional response. The food web model is found to be well-posed, bounded, and dissipative. The proposed model's essential dynamical features are studied in terms of local stability. The four species' survival is explored, and persistence conditions are established. The numerical simulations reveal the persistence in the form of a chaotic attractor or stable focus. The conclusion is that providing additional food to the middle predator may help to control the food chain's chaos.

Keywords: predator-prey model, existence of equilibrium points, local stability, chaos, numerical simulations

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Authors: Yoshinori Kitsutaka, Kusumi Shingo, Matsuzawa Koichi, Kunieda Yoichiro, Yagisawa Yasuei

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In this study, the pull-out properties of various mechanical anchor bolts embedded in concrete were investigated. Five kinds of mechanical anchor bolts were selected which were ordinarily used for concrete anchoring. Tensile tests for mechanical anchor bolts embedded in φ300mm x 100mm size concrete were conducted to measure the load - load displacement curves. The loading conditions were a monotonous loading and a repeating loading. The fracture energy for each mechanical anchor bolts was estimated by the analysis of consumed energy calculated by the load - load displacement curve. The effect of the types of mechanical anchor bolts on the pull-out properties of concrete subjected in monotonous loading and a repeating loading was cleared.

Keywords: concrete, cyclic loading, mechanical anchor bolt, pull-out strength

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Authors: Elaf N. Mahrous, Fares Al Mushref, Turkey Al Dossary

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An embedded particle finite element model has been developed to simulate the transient capillary forces acting on a moving contact line of spreading liquid drop on a smooth solid surface. Three common dissipative force models were tested numerically to account for the capillary effect at the solid-liquid interface. Among those models, Jiang’s model was found to be the most stable one. Our proposed numerical model was validated experimentally for a wide variety of surface wettability. A dimensionless relationship between the spreading rate and time was established, and the results showed good agreement with the experimental data.

Keywords: PFEM-embedded, Eulerian-PFEM, surface tension, capillary forces, moving contact line, non-dimensional analysis

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Authors: Dorottya Guban, Irina Borbath, Istvan Bakos, Peter Nemeth, Andras Tompos

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One of the greatest challenges of the implementation of polymer electrolyte membrane fuel cells (PEMFCs) is to find active and durable electrocatalysts. The cell performance is always limited by the oxygen reduction reaction (ORR) on the cathode since it is at least 6 orders of magnitude slower than the hydrogen oxidation on the anode. Therefore high loading of Pt is required. Catalyst corrosion is also more significant on the cathode, especially in case of mobile applications, where rapid changes of loading have to be tolerated. Pt-Sn bulk alloys and SnO2-decorated Pt3Sn nanostructures are among the most studied bimetallic systems for fuel cell applications. Exclusive formation of supported Sn-Pt alloy phases with different Pt/Sn ratios can be achieved by using controlled surface reactions (CSRs) between hydrogen adsorbed on Pt sites and tetraethyl tin. In this contribution our results for commercial and a home-made 20 wt.% Pt/C catalysts modified by tin anchoring via CSRs are presented. The parent Pt/C catalysts were synthesized by modified NaBH4-assisted ethylene-glycol reduction method using ethanol as a solvent, which resulted either in dispersed and highly stable Pt nanoparticles or evenly distributed raspberry-like agglomerates according to the chosen synthesis parameters. The 20 wt.% Pt/C catalysts prepared that way showed improved electrocatalytic performance in the ORR and stability in comparison to the commercial 20 wt.% Pt/C catalysts. Then, in order to obtain Sn-Pt/C catalysts with Pt/Sn= 3 ratio, the Pt/C catalysts were modified with tetraethyl tin (SnEt4) using three and five consecutive tin anchoring periods. According to in situ XPS studies in case of catalysts with highly dispersed Pt nanoparticles, pre-treatment in hydrogen even at 170°C resulted in complete reduction of the ionic tin to Sn0. No evidence of the presence of SnO2 phase was found by means of the XRD and EDS analysis. These results demonstrate that the method of CSRs is a powerful tool to create Pt-Sn bimetallic nanoparticles exclusively, without tin deposition onto the carbon support. On the contrary, the XPS results revealed that the tin-modified catalysts with raspberry-like Pt agglomerates always contained a fraction of non-reducible tin oxide. At the same time, they showed increased activity and long-term stability in the ORR than Pt/C, which was assigned to the presence of SnO2 in close proximity/contact with Pt-Sn alloy phase. It has been demonstrated that the content and dispersion of the fcc Pt3Sn phase within the electrocatalysts can be controlled by tuning the reaction conditions of CSRs. The bimetallic catalysts displayed an outstanding performance in the ORR. The preparation of a highly dispersed 20Pt/C catalyst permits to decrease the Pt content without relevant decline in the electrocatalytic performance of the catalysts.

Keywords: anode catalyst, cathode catalyst, controlled surface reactions, oxygen reduction reaction, PtSn/C electrocatalyst

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Authors: Seyed Mohsen Jameii

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Wireless underwater sensor networks are a type of sensor networks that are located in underwater environments and linked together by acoustic waves. The application of these kinds of network includes monitoring of pollutants (chemical, biological, and nuclear), oil fields detection, prediction of the likelihood of a tsunami in coastal areas, the use of wireless sensor nodes to monitor the passing submarines, and determination of appropriate locations for anchoring ships. This paper proposes a boundary coverage algorithm for intrusion detection in underwater sensor networks. In the first phase of the proposed algorithm, optimal deployment of nodes is done in the water. In the second phase, after the employment of nodes at the proper depth, clustering is executed to reduce the exchanges of messages between the sensors. In the third phase, the algorithm of "divide and conquer" is used to save energy and increase network efficiency. The simulation results demonstrate the efficiency of the proposed algorithm.

Keywords: boundary coverage, clustering, divide and ‎conquer, underwater sensor nodes

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Authors: Badla Oualid

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A great number of existing buildings are designed without seismic design criteria and detailing rules for dissipative structural behavior. Thus, it is of critical importance that the structures that need seismic retrofitting are correctly identified, and an optimal retrofitting is conducted in a cost effective fashion. Among the retrofitting techniques available, steel braces can be considered as one of the most efficient solution among seismic performance upgrading methods of RC structures. This paper investigates the seismic behavior of RC buildings strengthened with different types of steel braces, X-braced, inverted V braced, ZX braced, and Zipper braced. Static non linear pushover analysis has been conducted to estimate the capacity of three story and six story buildings with different brace-frame systems and different cross sections for the braces. It is found that adding braces enhances the global capacity of the buildings compared to the case with no bracing and that the X and Zipper bracing systems performed better depending on the type and size of the cross section.

Keywords: seismic design, strengthening, RC frames, steel bracing, pushover analysis

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Authors: Sheryl Avendaño, Miguel Ospina, Hebert Montegranario

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Full Wave Inversion (FWI) is a variant of seismic tomography for obtaining velocity profiles by an optimization process that combine forward modelling (or solution of wave equation) with the misfit between synthetic and observed data. In this research we are modelling wave propagation in a visco-acoustic medium in the frequency domain. We apply finite differences for the numerical solution of the wave equation with a mix between usual and rotated grids, where density depends on velocity and there exists a damping function associated to a linear dissipative medium. The velocity profiles are obtained from an initial one and the data have been modeled for a frequency range 0-120 Hz. By an iterative procedure we obtain an estimated velocity profile in which are detailed the remarkable features of the velocity profile from which synthetic data were generated showing promising results for our method.

Keywords: seismic inversion, full wave inversion, visco acoustic wave equation, finite diffrence methods

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Authors: Takhchi Jamal, Ouisse Morvan, Sadoulet-Reboul Emeline, Bouhaddi Noureddine, Gagliardini Laurent, Bornet Frederic, Lakrad Faouzi

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Structural intensity is a technique that can be used to indicate both the magnitude and direction of power flow through a structure from the excitation source to the dissipation sink. However, current analysis is limited to the low frequency range. At medium and high frequencies, a rotational component appear in the field, masking the energy flow and make its understanding difficult or impossible. The objective of this work is to implement a methodology to filter out the rotational components of the structural intensity field in order to fully understand the energy flow in complex structures. The approach is based on the Helmholtz decomposition. It allows to decompose the structural intensity field into rotational, irrotational, and harmonic components. Only the irrotational component is needed to describe the net power flow from a source to a dissipative zone in the structure. The methodology has been applied on academic structures, and it allows a good analysis of the energy transfer paths.

Keywords: structural intensity, power flow, helmholt decomposition, irrotational intensity

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Authors: Ashish Mahalle, Kishore Borakhade

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High porosity metal foams are excellent for heat dissipation. There use has been widened to include heat removal from high density microelectronics circuits. Other important applications have been found in compact heat exchangers for airborne equipment, regenerative and dissipative air cooled condenser towers, and compact heat sinks for power electronic. The low relative density, open porosity and high thermal conductivity of the cell edges, large accessible surface area per unit volume, and the ability to mix the cooling fluid make metal foam heat exchangers efficient, compact and light weight. This paper reports the thermal performance of metal foam for high heat dissipation. In experimentation metal foam samples of different pore diameters i.e. 35 µ, 20 µ, 12 µ, are analyzed for varying velocities and heat inputs. The study investigate the effect of various dimensionless no. like Re,Nu, Pr and heat transfer characteristics of basic flow configuration.

Keywords: pores, foam, effective thermal conductivity, permeability

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Authors: Yoshinori Kitsutaka, Fumiya Ikedo

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In this study, the mechanical model of various anchors embedded in gypsum board subjected cyclic shear loading were investigated. Shear tests for anchors embedded in 200 mm square size gypsum board were conducted to measure the load - load displacement curves. The strength of the gypsum board was changed for three conditions and 12 kinds of anchors were selected which were ordinary used for gypsum board anchoring. The loading conditions were a monotonous loading and a cyclic loading controlled by a servo-controlled hydraulic loading system to achieve accurate measurement. The fracture energy for each of the anchors was estimated by the analysis of consumed energy calculated by the load - load displacement curve. The effect of the strength of gypsum board and the types of anchors on the shear properties of gypsum board anchors was cleared. A numerical model to predict the load-unload curve of shear deformation of gypsum board anchors caused by such as the earthquake load was proposed and the validity on the model was proved.

Keywords: gypsum board, anchor, shear test, cyclic loading, load-unload curve

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Authors: A. Abdel-Moniem, H. Madkour, K. Farah, A. Abdullah

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The reduction in dapped end beams depth nearby the supports tends to produce stress concentration and hence results in shear cracks, if it does not have an adequate reinforcement detailing. This study investigates numerically the efficiency of applying different external strengthening techniques to the dapped end of such beams. A two-dimensional finite element model was built to predict the structural behavior of dapped ends strengthened with different techniques. The techniques included external bonding of the steel angle at the re-entrant corner, un-bounded bolt anchoring, external steel plate jacketing, exterior carbon fiber wrapping and/or stripping and external inclined steel plates. The FE analysis results are then presented in terms of the ultimate load capacities, load-deflection and crack pattern at failure. The results showed that the FE model, at various stages, was found to be comparable to the available test data. Moreover, it enabled the capture of the failure progress, with acceptable accuracy, which is very difficult in a laboratory test.

Keywords: dapped-end beams, finite element, shear failure, strengthening techniques, reinforced concrete, numerical investigation

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Authors: Konstantinos G. Dassios, Guillaume Bonnefont, Gilbert Fantozzi, Theodore E. Matikas, Costas Galiotis

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We report herein the development and preliminary mechanical characterization of fully-dense multi-wall carbon nanotube (MWCNT)-reinforced ceramics and glasses based on a completely new methodology termed High Shear Compaction (HSC). The tubes are introduced and bound to the matrix grains by aid of polymeric binders to form flexible green bodies which are sintered and densified by spark plasma sintering to unprecedentedly high densities of 100% of the pure-matrix value. The strategy was validated across a PyrexTM glass / MWCNT composite while no identifiable factors limit application to other types of matrices. Non-destructive evaluation, based on ultrasonics, of the dynamic mechanical properties of the materials including elastic, shear and bulk modulus as well as Poisson’s ratio showed optimum property improvement at 0.5 %wt tube loading while evidence of nanoscale-specific energy dissipative characteristics acting complementary to nanotube bridging and pull-out indicate a high potential in a wide range of reinforcing and multifunctional applications.

Keywords: ceramic matrix composites, carbon nanotubes, toughening, ultrasonics

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Authors: Muhammad Afzal, Junaid Uzair Satti

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The noise emanating from the ducting of heating, ventilation, and air-conditioning (HVAC) system is often attenuated by using the dissipative silencers. Such devices work well for the high-frequency noise but are less operative in the low-frequency noise range. The present study analyzes a reactive silencer comprising expansion chamber of the elastic membranes partitioned symmetrically by a rigid plate. The Mode-Matching scheme has been developed to solve the governing boundary value problem. The orthogonal and non-orthogonal duct modes of acoustic pressures and normal velocities are matched at interfaces. It enables to recast the differential system into the infinite system of linear algebraic of equations, which is, then truncated and inverted for the solution. The truncated solution is validated through the conservation of energy and reconstruction of matching conditions. The results for scattering energy flux and transmission loss are shown against frequency and the dimensions of the chamber. It is seen that the stop-band of the silencer can be shifted to the broadband by changing the dimensions of the chamber and the properties of the elastic membranes. The modeled reactive silencer is more efficient in low frequency regime where the passive devices are least effective.

Keywords: acoustic scattering, elastic membranes mode-matching, reactive silencer

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Authors: Ashkan Nazari, Saied Taheri

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Knowledge of tire-pavement interaction plays a crucial role in designing safer and more reliable tires. Characterizing the tire-pavement frictional interaction leads to a better understanding of vehicle performance in braking and acceleration. In this work, we devise a multi-scale simulation approach to incorporate the effect of pavement surface asperities in different length-scales. We construct two- and three-dimensional Finite Element (FE) models to simulate the interaction between a rubber block and a rough pavement surface with asperities in different scales. To achieve this, the road profile is scanned via a laser profilometer and the obtained asperities are implemented in an FE software (ABAQUS) in micro and macro length-scales. The hysteresis friction, which is due to the dissipative nature of rubber, is the main component of the friction force and therefore is the subject of study in this work. Using different scales not only will assist in characterizing the pavement asperities with sufficient details but also, it is highly effective in preventing extreme local deformations and stress gradients which results in divergence in FE simulations. The simulation results will be validated with experimental results as well as the results reported in the literature.

Keywords: friction, finite element, multi-scale modeling, rubber

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Authors: Bahar Ayhan

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The present paper is concerned with the numerical modeling of the inelastic behavior of the anisotropically damaged ductile materials, which are based on a generalized macroscopic theory within the framework of continuum damage mechanics. Kinematic decomposition of the strain rates into elastic, plastic and damage parts is basis for accomplishing the structure of continuum theory. The evolution of the damage strain rate tensor is detailed with the consideration of anisotropic effects. Helmholtz free energy functions are constructed separately for the elastic and inelastic behaviors in order to be able to address the plastic and damage process. Additionally, the constitutive structure, which is based on the standard dissipative material approach, is elaborated with stress tensor, a yield criterion for plasticity and a fracture criterion for damage besides the potential functions of each inelastic phenomenon. The finite element method is used to approximate the linearized variational problem. Stress and strain outcomes are solved by using the numerical integration algorithm based on operator split methodology with a plastic and damage (multiplicator) variable separately. Numerical simulations are proposed in order to demonstrate the efficiency of the formulation by comparing the examples in the literature.

Keywords: anisotropic damage, finite element method, plasticity, coupling

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Authors: Wei Tian, Jie Liang, Hammad Naveed

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Beta-barrel membrane proteins are found in the outer membrane of gram-negative bacteria, mitochondria, and chloroplasts. They carry out diverse biological functions, including pore formation, membrane anchoring, enzyme activity, and bacterial virulence. In addition, beta-barrel membrane proteins increasingly serve as scaffolds for bacterial surface display and nanopore-based DNA sequencing. Due to difficulties in experimental structure determination, they are sparsely represented in the protein structure databank and computational methods can help to understand their biophysical principles. We have developed a novel computational method to predict the 3D structure of beta-barrel membrane proteins using evolutionary coupling (EC) constraints and a reduced state space. Combined with an empirical potential function, we can successfully predict strand register at > 80% accuracy for a set of 49 non-homologous proteins with known structures. This is a significant improvement from previous results using EC alone (44%) and using empirical potential function alone (73%). Our method is general and can be applied to genome-wide structural prediction.

Keywords: beta-barrel membrane proteins, structure prediction, evolutionary constraints, reduced state space

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Authors: Shuwen Wu, Zhi LI

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Atomically dispersed Fe‒N₄ catalysts are proven as promising alternatives to commercial Pt/C for the oxygen reduction reaction. Most reported Fe‒N₄ catalysts suffer from inferior O‒O bond-breaking capability due to superoxo-like O₂ adsorption, though the isolated dual-atomic metal sites strategy is extensively adopted. Atomic Fe clusters hold greater promise for promoting O‒O bond cleavage by forming peroxo-like O₂ adsorption. However, the excessively strong binding strength between Fe clusters and oxygenated intermediates sacrifices the activity. Here, we first report a Fex/Cu‒N@CF catalyst with atomic Fe clusters functionalized by adjacent single Cu‒N₄ sites anchoring on a porous carbon nanofiber membrane. The theoretical calculation indicates that the single Cu‒N₄ sites can modulate the electronic configuration of Fe clusters to reduce O₂* protonation reaction free energy, which ultimately enhances the electrocatalytic performance. Particularly, the Cu‒N₄ sites can increase the overlaps between the d orbitals of Fe and p orbitals of O to accelerate O‒O cleavage in OOH*. As a result, this unique atomic catalyst exhibits a half potential (E1/2) of 0.944 V in an alkaline medium exceeding that of commercial Pt/C, whereas acidic performance E1/2 = 0.815 V is comparable to Pt/C. This work shows the great potential of single atoms for improvements in atomic cluster catalysts.

Keywords: Hierarchical porous fibers, atomic Fe clusters, Cu single atoms, oxygen reduction reaction; O-O bond cleavage

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Authors: Michael Sigruener, Dirk Muscat, Nicole Struebbe

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Fiber reinforcement is a state of the art to enhance mechanical properties in plastics. For concrete and civil engineering, steel reinforcements are commonly used. Steel reinforcements show disadvantages in their chemical resistance and weight, whereas polymer fibers' major problems are in fiber-matrix adhesion and mechanical properties. In spite of these facts, longevity and easy handling, as well as chemical resistance motivate researches to develop a polymeric material for fiber reinforced concrete. Adhesion and interfacial mechanism in fiber-polymer-composites are already studied thoroughly. For polymer fibers used as concrete reinforcement, the bonding behavior still requires a deeper investigation. Therefore, several differing polymers (e.g., polypropylene (PP), polyamide 6 (PA6) and polyetheretherketone (PEEK)) were spun into fibers via single screw extrusion and monoaxial stretching. Fibers then were embedded in a concrete matrix, and Single-Fiber-Pull-Out-Tests (SFPT) were conducted to investigate bonding characteristics and microstructural interface of the composite. Differences in maximum pull-out-force, displacement and slope of the linear part of force vs displacement-function, which depicts the adhesion strength and the ductility of the interfacial bond were studied. In SFPT fiber, debonding is an inhomogeneous process, where the combination of interfacial bonding and friction mechanisms add up to a resulting value. Therefore, correlations between polymeric properties and pull-out-mechanisms have to be emphasized. To investigate these correlations, all fibers were introduced to a series of analysis such as differential scanning calorimetry (DSC), contact angle measurement, surface roughness and hardness analysis, tensile testing and scanning electron microscope (SEM). Of each polymer, smooth and abraded fibers were tested, first to simulate the abrasion and damage caused by a concrete mixing process and secondly to estimate the influence of mechanical anchoring of rough surfaces. In general, abraded fibers showed a significant increase in maximum pull-out-force due to better mechanical anchoring. Friction processes therefore play a major role to increase the maximum pull-out-force. The polymer hardness affects the tribological behavior and polymers with high hardness lead to lower surface roughness verified by SEM and surface roughness measurements. This concludes into a decreased maximum pull-out-force for hard polymers. High surface energy polymers show better interfacial bonding strength in general, which coincides with the conducted SFPT investigation. Polymers such as PEEK or PA6 show higher bonding strength in smooth and roughened fibers, revealed through high pull-out-force and concrete particles bonded on the fiber surface pictured via SEM analysis. The surface energy divides into dispersive and polar part, at which the slope is correlating with the polar part. Only polar polymers increase their SFPT-function slope due to better wetting abilities when showing a higher bonding area through rough surfaces. Hence, the maximum force and the bonding strength of an embedded fiber is a function of polarity, hardness, and consequently surface roughness. Other properties such as crystallinity or tensile strength do not affect bonding behavior. Through the conducted analysis, it is now feasible to understand and resolve different effects in pull-out-behavior step-by-step based on the polymer properties itself. This investigation developed a roadmap on how to engineer high adhering polymeric materials for fiber reinforcement of concrete.

Keywords: fiber-matrix interface, polymeric fibers, fiber reinforced concrete, single fiber pull-out test

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Authors: Nilanjana Chanda, Rangeet Bhattacharyya

Abstract:

Grover’s search algorithm is the fastest possible quantum mechanical algorithm to search a certain element from an unstructured set of data of N items. The algorithm can determine the desired result in only O(√N) steps. It has been demonstrated theoretically and experimentally on two-qubit systems long ago. In this work, we investigate the fidelity of Grover’s search algorithm by implementing it on an open quantum system. In particular, we study with what accuracy one can estimate that the algorithm would deliver the searched state. In reality, every system has some influence on its environment. We include the environmental effects on the system dynamics by using a recently reported fluctuation-regulated quantum master equation (FRQME). We consider that the environment experiences thermal fluctuations, which leave its signature in the second-order term of the master equation through its appearance as a regulator. The FRQME indicates that in addition to the regular relaxation due to system-environment coupling, the applied drive also causes dissipation in the system dynamics. As a result, the fidelity is found to depend on both the drive-induced dissipative terms and the relaxation terms, and we find that there exists a competition between them, leading to an optimum drive amplitude for which the fidelity becomes maximum. For efficient implementation of the search algorithm, precise knowledge of this optimum drive amplitude is essential.

Keywords: dissipation, fidelity, quantum master equation, relaxation, system-environment coupling

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Authors: Soraya Abtouche, Zeyneb Ghoualem, Syrine Daoudi, Lina Ouldmohamed, Xavier Assfeld

Abstract:

This work reports density functional theory calculations of the optimized geometries, molecular reactivity, energy gap,and thermodynamic properties of the free base (H2P) and their Zn (II) metallated (ZnP), bearing one, two, or three carboxylic acid groups using the hybrid functional B3LYP, Cam-B3lYP, wb97xd with 6-31G(d,p) basis sets. When donating groups are attached to the molecular dye, the bond lengths are slightly decreased, which is important for the easy transfer of an electron from donating to the accepting group. For all dyes, the highest occupied molecular orbital/lowest occupied molecular orbital analysis results in positive outcomes upon electron injection to the semiconductor and subsequent dye regeneration by the electrolyte. The ionization potential increases with increasing conjugation; therefore, the compound dye attached to one carboxylic acid group has the highest ionization potential. The results show higher efficiencies of those sensitized with ZnP. These results have been explained, taking into account the electronic character of the metal ion, which acts as a mediator in the injection step, and, on the other hand, considering the number of anchoring groups to which it binds to the surface of TiO2.

Keywords: DSSC, porphyrin, TD-DFT, electronic properties, donor-acceptor groups

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Authors: Benniche Omar

Abstract:

We are concerned with abstract fully nonlinear differential equations having the form y’(t)=Ay(t)+f(t,y(t)) where A is an m—dissipative operator (possibly multi—valued) defined on a subset D(A) of a Banach space X with values in X and f is a given function defined on I×X with values in X. We consider a graph K in I×X. We recall that K is said to be viable with respect to the above abstract differential equation if for each initial data in K there exists at least one trajectory starting from that initial data and remaining in K at least for a short time. The viability problem has been studied by many authors by using various techniques and frames. If K is closed, it is shown that a tangency condition, which is mainly linked to the dynamic, is crucial for viability. In the case when X is infinite dimensional, compactness and convexity assumptions are needed. In this paper, we are concerned with the notion of near viability for a given graph K with respect to y’(t)=Ay(t)+f(t,y(t)). Roughly speaking, the graph K is said to be near viable with respect to y’(t)=Ay(t)+f(t,y(t)), if for each initial data in K there exists at least one trajectory remaining arbitrary close to K at least for short time. It is interesting to note that the near viability is equivalent to an appropriate tangency condition under mild assumptions on the dynamic. Adding natural convexity and compactness assumptions on the dynamic, we may recover the (exact) viability. Here we investigate near viability for a graph K in I×X with respect to y’(t)=Ay(t)+f(t,y(t)) where A and f are as above. We emphasis that the t—dependence on the perturbation f leads us to introduce a new tangency concept. In the base of a tangency conditions expressed in terms of that tangency concept, we formulate criteria for K to be near viable with respect to y’(t)=Ay(t)+f(t,y(t)). As application, an abstract null—controllability theorem is given.

Keywords: abstract differential equation, graph, tangency condition, viability

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Authors: A. Ras, I. Nait Zerrad, N. Benmouna, N. Boumechra

Abstract:

Use of base isolators in the seismic design of structures has attracted considerable attention in recent years. The major concern in the design of these structures is to have enough lateral stability to resist wind and seismic forces. There are different systems providing such isolation, among them there are friction- pendulum base isolation systems (FPS) which are rather widely applied nowadays involving to both affordable cost and high fundamental periods. These devices are characterised by a stiff resistance against wind loads and to be flexible to the seismic tremors, which make them suitable for different situations. In this paper, a 3D numerical investigation is done considering the seismic response of a twelve-storey steel building retrofitted with a FPS. Fast nonlinear time history analysis (FNA) of Boumerdes earthquake (Algeria, May 2003) is considered for analysis and carried out using SAP2000 software. Comparisons between fixed base, bearing base isolated and braced structures are shown in a tabulated and graphical format. The results of the various alternatives studies to compare the structural response without and with this device of dissipation energy thus obtained were discussed and the conclusions showed the interesting potential of the FPS isolator. This system may to improve the dissipative capacities of the structure without increasing its rigidity in a significant way which contributes to optimize the quantity of steel necessary for its general stability.

Keywords: energy dissipation, friction-pendulum system, nonlinear analysis, steel structure

Procedia PDF Downloads 172