Search results for: elastic energy
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 8744

Search results for: elastic energy

8744 Extrudate Swell under the Effect of Radial Flow and Intrinsic Factors to the Polymer Upstream of the Die

Authors: Hela Krir, Abdelhak Ayadi, Chedly Bradaii

Abstract:

The influence of both intrinsic factors, elastic energy and memory effect, and radial flow on the appearance and the evolution of the extrudate swelling are investigated in the present work. The experiments have been performed with linear polydimethylsiloxane (PDMS) via a capillary rheometer in which a convergent radial flow was created upstream the contraction. The correspondence between the effects of radial flow, entry elastic stored energy and memory effect is discussed. In particular, as the influence of the considered radial flow, extrudate photographs showed that when the gap ratio is reduced, the extrudate swell is lessened than what it is when radial flow geometry is not installed. Moreover, with a narrower gap, the polymer stores less energy during its passage through the die which implies a lower extrudate swelling at the outlet of the die. Results previously mentioned may be related both to shear and elongational components of radial flow.

Keywords: elastic energy, extrudate swell, memory effect, radial flow

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8743 First-Principles Calculations and Thermo-Calc Study of the Elastic and Thermodynamic Properties of Ti-Nb-ZR-Ta Alloy for Biomedical Applications

Authors: M. Madigoe, R. Modiba

Abstract:

High alloyed beta (β) phase-stabilized titanium alloys are known to have a low elastic modulus comparable to that of the human bone (≈30 GPa). The β phase in titanium alloys exhibits an elastic Young’s modulus of about 60-80 GPa, which is nearly half that of α-phase (100-120 GPa). In this work, a theoretical investigation of structural stability and thermodynamic stability, as well as the elastic properties of a quaternary Ti-Nb-Ta-Zr alloy, will be presented with an attempt to lower Young’s modulus. The structural stability and elastic properties of the alloy were evaluated using the first-principles approach within the density functional theory (DFT) framework implemented in the CASTEP code. The elastic properties include bulk modulus B, elastic Young’s modulus E, shear modulus cʹ and Poisson’s ratio v. Thermodynamic stability, as well as the fraction of β phase in the alloy, was evaluated using the Thermo-Calc software package. Thermodynamic properties such as Gibbs free energy (Δ?⁰?) and enthalpy of formation will be presented in addition to phase proportion diagrams. The stoichiometric compositions of the alloy is Ti-Nbx-Ta5-Zr5 (x = 5, 10, 20, 30, 40 at.%). An optimum alloy composition must satisfy the Born stability criteria and also possess low elastic Young’s modulus. In addition, the alloy must be thermodynamically stable, i.e., Δ?⁰? < 0.

Keywords: elastic modulus, phase proportion diagram, thermo-calc, titanium alloys

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8742 Effect of Adjacent Footings on Elastic Settlement of Shallow Foundations

Authors: Mustafa Aytekin

Abstract:

In this study, impact of adjacent footings is considered on the estimation of elastic settlement of shallow foundations. In the estimation of elastic settlement, the Schmertmann’s method that is a very popular method in the elastic settlement estimation of shallow foundations is employed. In order to consider affect of neighboring footings on elastic settlement of main footing in different configurations, a MATLAB script has been generated. Elastic settlements of the various configurations are estimated by the script and several conclusions have been reached.

Keywords: elastic (immediate) settlement, Schmertman Method, adjacent footings, shallow foundations

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8741 Interaction of Low-Energy Positrons with Mg Atoms: Elastic Scattering, Bound States, and Annihilation

Authors: Mahasen M. Abdel Mageed, H. S. Zaghloul

Abstract:

Annihilations, phase shifts, scattering lengths, and elastic cross sections of low energy positrons scattering from magnesium atoms were studied using the least-squares variational method (LSVM). The possibility of positron binding to the magnesium atoms is investigated. A trial wavefunction is suggested to represent e+-Mg elastic scattering and scattering parameters were derived to estimate the binding energy and annihilation rates. The trial function is taken to depend on several adjustable parameters and is improved iteratively by increasing the number of terms. The present results have the same behavior as reported semi-empirical, theoretical, and experimental results. Especially, the estimated positive scattering length supports the possibility of positron-magnesium bound state system that was confirmed in previous experimental and theoretical work.

Keywords: bound wavefunction, positron annihilation, scattering phase shift, scattering length

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8740 Finding the Elastic Field in an Arbitrary Anisotropic Media by Implementing Accurate Generalized Gaussian Quadrature Solution

Authors: Hossein Kabir, Amir Hossein Hassanpour Mati-Kolaie

Abstract:

In the current study, the elastic field in an anisotropic elastic media is determined by implementing a general semi-analytical method. In this specific methodology, the displacement field is computed as a sum of finite functions with unknown coefficients. These aforementioned functions satisfy exactly both the homogeneous and inhomogeneous boundary conditions in the proposed media. It is worth mentioning that the unknown coefficients are determined by implementing the principle of minimum potential energy. The numerical integration is implemented by employing the Generalized Gaussian Quadrature solution. Furthermore, with the aid of the calculated unknown coefficients, the displacement field, as well as the other parameters of the elastic field, are obtainable as well. Finally, the comparison of the previous analytical method with the current semi-analytical method proposes the efficacy of the present methodology.

Keywords: anisotropic elastic media, semi-analytical method, elastic field, generalized gaussian quadrature solution

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8739 An ab initioStudy of the Structural, Elastic, Electronic, and Optical Properties of the Perovskite ScRhO3

Authors: L. Foudia, K. Haddadi, M. Reffas

Abstract:

First principles study of structural, elastic, electronic and optical properties of the monoclinic perovskite type ScRhO₃ has been reported using the pseudo-potential plane wave method within the local density approximation. The calculated lattice parameters, including the lattice constants and angle β, are in excellent agreement with the available experimental data, which proving the reliability of the chosen theoretical approach. Pressure dependence up to 20 GPa of the single crystal and polycrystalline elastic constants has been investigated in details using the strain-stress approach. The mechanical stability, ductility, average elastic wave velocity, Debye temperature and elastic anisotropy were also assessed. Electronic band structure and density of states (DOS) demonstrated its semiconducting nature showing a direct band gap of 1.38 eV. Furthermore, several optical properties, such as absorption coefficient, reflectivity, refractive index, dielectric function, optical conductivity and electron energy loss function, have been calculated for radiation up to 40 eV.

Keywords: ab-initio, perovskite, DFT, band gap

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8738 Theoretical Investigation of the Structural, Electronic, Optical and Elastic Properties of the Perovskite ScRhO₃

Authors: L. Foudia, K. Haddadi, M. Reffas

Abstract:

First principles study of structural, elastic, electronic and optical properties of the monoclinic perovskite type ScRhO₃ has been reported using the pseudo-potential plane wave method within the local density approximation. The calculated lattice parameters, including the lattice constants and angle β are in excellent agreement with the available experimental data, which proving the reliability of the chosen theoretical approach. Pressure dependence up to 20 GPa of the single crystal and polycrystalline elastic constants has been investigated in details using the strain-stress approach. The mechanical stability, ductility, average elastic wave velocity, Debye temperature and elastic anisotropy were also assessed. Electronic band structure and density of states (DOS) demonstrated its semiconducting nature showing a direct band gap of 1.38 eV. Furthermore, several optical properties, such as absorption coefficient, reflectivity, refractive index, dielectric function, optical conductivity and electron energy loss function have been calculated for radiation up to 40 eV.

Keywords: ab-initio, perovskite, DFT, band gap.

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8737 Stress Distribution in Axisymmetric Indentation of an Elastic Layer-Substrate Body

Authors: Kotaro Miura, Makoto Sakamoto, Yuji Tanabe

Abstract:

We focus on internal stress and displacement of an elastic axisymmetric contact problem for indentation of a layer-substrate body. An elastic layer is assumed to be perfectly bonded to an elastic semi-infinite substrate. The elastic layer is smoothly indented with a flat-ended cylindrical indenter. The analytical and exact solutions were obtained by solving an infinite system of simultaneous equations using the method to express a normal contact stress at the upper surface of the elastic layer as an appropriate series. This paper presented the numerical results of internal stress and displacement distributions for hard-coating system with constant values of Poisson’s ratio and the thickness of elastic layer.

Keywords: indentation, contact problem, stress distribution, coating materials, layer-substrate body

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8736 Modeling and Shape Prediction for Elastic Kinematic Chains

Authors: Jiun Jeon, Byung-Ju Yi

Abstract:

This paper investigates modeling and shape prediction of elastic kinematic chains such as colonoscopy. 2D and 3D models of elastic kinematic chains are suggested and their behaviors are demonstrated through simulation. To corroborate the effectiveness of those models, experimental work is performed using a magnetic sensor system.

Keywords: elastic kinematic chain, shape prediction, colonoscopy, modeling

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8735 Comparison for Some Elastic and Mechanical Properties of Plutonium Dioxide

Authors: M. Guler, E. Guler

Abstract:

We report some elastic parameters of cubic fluorite type neptunium dioxide (NpO2) with a recent EAM type interatomic potential through geometry optimization calculations. Typical cubic elastic constants, bulk modulus, shear modulus, young modulus and other relevant elastic parameters were also calculated during research. After calculations, we have compared our results with the available theoretical data. Our results agree well with the previous theoretical findings of the considered quantities of NpO2.

Keywords: NpO2, elastic properties, bulk modulus, mechanical properties

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8734 First-Principles Study of Xnmg3 (X=P, As, Sb, Bi) Antiperovskite Compounds

Authors: Kadda Amara, Mohammed Elkeurti, Mostefa Zemouli, Yassine Benallou

Abstract:

In this work, we present a study of the structural, elastic and electronic properties of the cubic antiperovskites XNMg3 (X=P, As, Sb and Bi) using the full-potential augmented plane wave plus local orbital (FP-LAPW+lo) within the Generalized Gradient Approximation based on PBEsol, Perdew 2008 functional. We determined the lattice parameters, the bulk modulus B and their pressure derivative B'. In addition, the elastic properties such as elastic constants (C11, C12 and C44), the shear modulus G, the Young modulus E, the Poisson's ratio ν and the B/G ratio are also given. For the band structure, density of states and charge density the exchange and correlation effects were treated by the Tran-Blaha modified Becke-Johnson potential to prevent the shortcoming of the underestimation of the energy gaps in both LDA and GGA approximations. The obtained results are compared to available experimental data and to other theoretical calculations.

Keywords: XNMg3 compounds, GGA-PBEsol, TB-mBJ, elastic properties, electronic properties

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8733 Nonstationary Waves Excited by the Rigid Cylinder in Elastic Medium

Authors: Tukeaban Hasanova, Jamila Imamalieva

Abstract:

By the operational method, the problem on two-dimensional wave propagation in elastic medium excited by the round cylinder is solved. An analytical solution responding to instantaneous application of speed to the inclusion at its subsequent change is constructed. The two-dimensional problem on wave propagation in an elastic medium is considered.

Keywords: cylinder, inclusion, wave, elastic medium, speed

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8732 A Benchmark for Some Elastic and Mechanical Properties of Uranium Dioxide

Authors: E. Güler, M. Güler

Abstract:

We present some elastic parameters of cubic fluorite type uranium dioxide (UO2) with a recent EAM type interatomic potential through geometry optimization calculations. Typical cubic elastic constants, bulk modulus, shear modulus, young modulus and other related elastic parameters were calculated during research. After calculations, we compared our results not only with the available theoretical data but also with previous experimental results. Our results are consistent with experiments and compare well the former theoretical results of the considered parameters of UO2.

Keywords: UO2, elastic constants, bulk modulus, mechanical properties

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8731 A Comparison for Some Elastic and Mechanical Properties of Neptunium Dioxide

Authors: E. Güler, M. Güler

Abstract:

We report some elastic quantities of cubic fluorite type plutonium dioxide (PuO2) with a recent EAM type interatomic potential through geometry optimization calculations. Typical cubic elastic constants, bulk modulus, shear modulus, young modulus and other related elastic quantities were calculated during present research. After present calculations, we have compared our results with the existing theoretical data of literature. Our results are consistent with previous theoretical findings of the considered parameters of PuO2.

Keywords: PuO2, elastic properties, bulk modulus, mechanical properties

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8730 Prediction Study of the Structural, Elastic and Electronic Properties of the Parent and Martensitic Phases of Nonferrous Ti, Zr, and Hf Pure Metals

Authors: Tayeb Chihi, Messaoud Fatmi

Abstract:

We present calculations of the structural, elastic and electronic properties of nonferrous Ti, Zr, and Hf pure metals in both parent and martensite phases in bcc and hcp structures respectively. They are based on the generalized gradient approximation (GGA) within the density functional theory (DFT). The shear modulus, Young's modulus and Poisson's ratio for Ti, Zr, and Hf metals have were calculated and compared with the corresponding experimental values. Using elastic constants obtained from calculations GGA, the bulk modulus along the crystallographic axes of single crystals was calculated. This is in good agreement with experiment for Ti and Zr, whereas the hcp structure for Hf is a prediction. At zero temperature and zero pressure, the bcc crystal structure is found to be mechanically unstable for Ti, Zr, and Hf. In our calculations the hcp structures is correctly found to be stable at the equilibrium volume. In the electronic density of states (DOS), the smaller n(EF) is, the more stable the compound is. Therefore, in agreement with the results obtained from the total energy minimum.

Keywords: Ti, Zr, Hf, pure metals, transformation, energy

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8729 Radiative Reactions Analysis at the Range of Astrophysical Energies

Authors: A. Amar

Abstract:

Analysis of the elastic scattering of protons on 10B nuclei has been done in the framework of the optical model and single folding model at the beam energies up to 17 MeV. We could enhance the optical potential parameters using Esis88 Code, as well as SPI GENOA Code. Linear relationship between volume real potential (V0) and proton energy (Ep) has been obtained. Also, surface imaginary potential WD is proportional to the proton energy (Ep) in the range 0.400 and 17 MeV. The radiative reaction 10B(p,γ)11C has been analyzed using potential model. A comparison between 10B(p,γ)11C and 6Li(p,γ)7Be has been made. Good agreement has been found between theoretical and experimental results in the whole range of energy. The radiative resonance reaction 7Li(p,γ)8Be has been studied.

Keywords: elastic scattering of protons on 10B nuclei, optical potential parameters, potential model, radiative reaction

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8728 First Principal Calculation of Structural, Elastic and Thermodynamic Properties of Yttrium-Copper Intermetallic Compound

Authors: Ammar Benamrani

Abstract:

This work investigates the equation of state parameters, elastic constants, and several other physical properties of (B2-type) Yttrium-Copper (YCu) rare earth intermetallic compound using the projected augmented wave (PAW) pseudopotentials method as implemented in the Quantum Espresso code. Using both the local density approximation (LDA) and the generalized gradient approximation (GGA), the finding of this research on the lattice parameter of YCu intermetallic compound agree very well with the experimental ones. The obtained results of the elastic constants and the Debye temperature are also in general in good agreement compared to the theoretical ones reported previously in literature. Furthermore, several thermodynamic properties of YCu intermetallic compound have been studied using quasi-harmonic approximations (QHA). The calculated data on the thermodynamic properties shows that the free energy and both isothermal and adiabatic bulk moduli decrease gradually with increasing of the temperature, while all other thermodynamic quantities increase with the temperature.

Keywords: Yttrium-Copper intermetallic compound, thermo_pw package, elastic constants, thermodynamic properties

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8727 A Dislocation-Based Explanation to Quasi-Elastic Release in Shock Loaded Aluminum

Authors: Song L. Yao, Ji D. Yu, Xiao Y. Pei

Abstract:

An explanation is introduced to study the quasi-elastic release phenomenon in shock compressed aluminum. A dislocation-based model, taking into account of dislocation substructures and evolutions, is applied to simulate the elastic-plastic response of both single crystal and polycrystalline aluminum. Simulated results indicate that dislocation immobilization during dynamic deformation results in a smooth increase of yield stress, which leads to the quasi-elastic release. While the generation of dislocations caused by plastic release wave results in the appearance of transition point between the quasi-elastic release and the plastic release in the profile. The quantities of calculated shear strength and dislocation density are in accordance with experimental result, which demonstrates the accuracy of our simulations.

Keywords: dislocation density, quasi-elastic release, wave profile, shock wave

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8726 A Design of Active Elastic Metamaterial with Extreme Anisotropic Stiffness

Authors: Conner Side, Hunter Pearce

Abstract:

Traditional elastic metamaterials have difficulties in achieving independent tunable working frequency in two orthogonal directions. In this work, we proposed a pragmatic active elastic metamaterial to obtain extreme anisotropic stiffness with a tunable working frequency range. Piezoelectric patches shunted with variable conductance are properly proposed in the microstructure unit cell to manipulate the effective elastic stiffness along two principal directions at the subwavelength scale. Simulation of manipulation of wave propagation in such metamaterials is performed. An experimental study is also conducted to validate the design, and the results are in good agreement with mathematic analysis and numerical predictions. The proposed active elastic metamaterial will bring forth significant guidelines for ultrasonic imaging technique, and the results are expected to offer novel and general design methodology for elastic metamaterials.

Keywords: microstructure, active elastic metamaterials, piezoelectric patches, experimental study

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8725 Structural, Elastic, Vibrational and Thermal Properties of Perovskites AHfO3 (a=Ba,Sr,Eu)

Authors: H. Krarcha

Abstract:

The structural, elastic, vibrational and thermal properties of AHfO3 compounds with the cubic perovskites structure have been investigated, by employing a first principles method, using the plane wave pseudo potential calculations (PP-PW), based on the density functional theory (DFT), within the local density approximation (LDA). The optimized lattice parameters, independent elastic constants (C11, C12 and C44), bulk modulus (B), compressibility (b), shear modulus (G), Young’s modulus (Y ), Poisson’s ratio (n), Lame´’s coefficients (m, l), as well as band structure, density of states and electron density distributions are obtained and analyzed in comparison with the available theoretical and experimental data. For the first time the numerical estimates of elastic parameters of the polycrystalline AHfO3 ceramics (in framework of the VoigteReusseHill approximation) are performed. The quasi-harmonic Debye model, by means of total energy versus volume calculations obtained with the FP-LAPW method, is applied to study the thermal and vibrational effects. Predicted temperature and pressure effects on the structural parameters, thermal expansions, heat capacities, and Debye temperatures are determined from the non-equilibrium Gibbs functions.

Keywords: Hafnium, elastic propreties, first principles calculation, perovskite

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8724 An Eulerian Method for Fluid-Structure Interaction Simulation Applied to Wave Damping by Elastic Structures

Authors: Julien Deborde, Thomas Milcent, Stéphane Glockner, Pierre Lubin

Abstract:

A fully Eulerian method is developed to solve the problem of fluid-elastic structure interactions based on a 1-fluid method. The interface between the fluid and the elastic structure is captured by a level set function, advected by the fluid velocity and solved with a WENO 5 scheme. The elastic deformations are computed in an Eulerian framework thanks to the backward characteristics. We use the Neo Hookean or Mooney Rivlin hyperelastic models and the elastic forces are incorporated as a source term in the incompressible Navier-Stokes equations. The velocity/pressure coupling is solved with a pressure-correction method and the equations are discretized by finite volume schemes on a Cartesian grid. The main difficulty resides in that large deformations in the fluid cause numerical instabilities. In order to avoid these problems, we use a re-initialization process for the level set and linear extrapolation of the backward characteristics. First, we verify and validate our approach on several test cases, including the benchmark of FSI proposed by Turek. Next, we apply this method to study the wave damping phenomenon which is a mean to reduce the waves impact on the coastline. So far, to our knowledge, only simulations with rigid or one dimensional elastic structure has been studied in the literature. We propose to place elastic structures on the seabed and we present results where 50 % of waves energy is absorbed.

Keywords: damping wave, Eulerian formulation, finite volume, fluid structure interaction, hyperelastic material

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8723 Analysis of the Elastic Energy Released and Characterization of the Eruptive Episodes Intensity’s during 2014-2015 at El Reventador Volcano, Ecuador

Authors: Paúl I. Cornejo

Abstract:

The elastic energy released through Strombolian explosions has been quite studied, detailing various processes, sources, and precursory events at several volcanoes. We realized an analysis based on the relative partitioning of the elastic energy radiated into the atmosphere and ground by Strombolian-type explosions recorded at El Reventador volcano, using infrasound and seismic signals at high and moderate seismicity episodes during intense eruptive stages of explosive and effusive activity. Our results show that considerable values of Volcano Acoustic-Seismic Ratio (VASR or η) are obtained at high seismicity stages. VASR is a physical diagnostic of explosive degassing that we used to compare eruption mechanisms at El Reventador volcano for two datasets of explosions recorded at a Broad-Band BB seismic and infrasonic station located at ~5 kilometers from the vent. We conclude that the acoustic energy EA released during explosive activity (VASR η = 0.47, standard deviation σ = 0.8) is higher than the EA released during effusive activity; therefore, producing the highest values of η. Furthermore, we realized the analysis and characterization of the eruptive intensity for two episodes at high seismicity, calculating a η three-time higher for an episode of effusive activity with an occasional explosive component (η = 0.32, and σ = 0.42), than a η for an episode of only effusive activity (η = 0.11, and σ = 0.18), but more energetic.

Keywords: effusive, explosion quakes, explosive, Strombolian, VASR

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8722 Evaluation of Static Modulus of Elasticity Depending on Concrete Compressive Strength

Authors: Klara Krizova, Rudolf Hela

Abstract:

The paper is focused on monitoring of dependencies of different composition concretes on elastic modulus values. To obtain a summary of elastic modulus development independence of concrete composition design variability was the objective of the experiment. Essential part of this work was initiated as a reaction to building practice when questions of elastic moduli arose at the same time and which mostly did not obtain the required and expected values from concrete constructions. With growing interest in this theme the elastic modulus questions have been developing further.

Keywords: concrete, compressive strength, modulus of elasticity, EuroCode 2

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8721 Optical and Double Folding Analysis for 6Li+16O Elastic Scattering

Authors: Abd Elrahman Elgamala, N. Darwish, I. Bondouk, Sh. Hamada

Abstract:

Available experimental angular distributions for 6Li elastically scattered from 16O nucleus in the energy range 13.0–50.0 MeV are investigated and reanalyzed using optical model of the conventional phenomenological potential and also using double folding optical model of different interaction models: DDM3Y1, CDM3Y1, CDM3Y2, and CDM3Y3. All the involved models of interaction are of M3Y Paris except DDM3Y1 which is of M3Y Reid and the main difference between them lies in the different values for the parameters of the incorporated density distribution function F(ρ). We have extracted the renormalization factor NR for 6Li+16O nuclear system in the energy range 13.0–50.0 MeV using the aforementioned interaction models.

Keywords: elastic scattering, optical model, folding potential, density distribution

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8720 Development of Sound Tactile Interface by Use of Human Sensation of Stiffness

Authors: K. Doi, T. Nishimura, M. Umeda

Abstract:

There are very few sound interfaces that both healthy people and hearing handicapped people can use to play together. In this study, we developed a sound tactile interface that makes use of the human sensation of stiffness. The interface comprises eight elastic objects having varying degrees of stiffness. Each elastic object is shaped like a column. When people with and without hearing disabilities press each elastic object, different sounds are produced depending on the stiffness of the elastic object. The types of sounds used were “Do Re Mi sounds.” The interface has a major advantage in that people with or without hearing disabilities can play with it. We found that users were able to recognize the hardness sensation and relate it to the corresponding Do Re Mi sounds.

Keywords: tactile sense, sound interface, stiffness perception, elastic object

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8719 Application of the Micropolar Beam Theory for the Construction of the Discrete-Continual Model of Carbon Nanotubes

Authors: Samvel H. Sargsyan

Abstract:

Together with the study of electron-optical properties of nanostructures and proceeding from experiment-based data, the study of the mechanical properties of nanostructures has become quite actual. For the study of the mechanical properties of fullerene, carbon nanotubes, graphene and other nanostructures one of the crucial issues is the construction of their adequate mathematical models. Among all mathematical models of graphene or carbon nano-tubes, this so-called discrete-continuous model is specifically important. It substitutes the interactions between atoms by elastic beams or springs. The present paper demonstrates the construction of the discrete-continual beam model for carbon nanotubes or graphene, where the micropolar beam model based on the theory of moment elasticity is accepted. With the account of the energy balance principle, the elastic moment constants for the beam model, expressed by the physical and geometrical parameters of carbon nanotube or graphene, are determined. By switching from discrete-continual beam model to the continual, the models of micropolar elastic cylindrical shell and micropolar elastic plate are confirmed as continual models for carbon nanotube and graphene respectively.

Keywords: carbon nanotube, discrete-continual, elastic, graphene, micropolar, plate, shell

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8718 Elastic Collisions of Electrons with DNA and Water From 10 eV to 100 KeV: Scar Macro Investigation

Authors: Aouina Nabila Yasmina, Zine El Abidine Chaoui

Abstract:

Recently, understanding the interactions of electrons with the DNA molecule and its components has attracted considerable interest because DNA is the main site damaged by ionizing radiation. The interactions of radiation with DNA induce a variety of molecular damage such as single-strand breaks, double-strand breaks, basic damage, cross-links between proteins and DNA, and others, or the formation of free radicals, which, by chemical reactions with DNA, can also lead to breakage of the strand. One factor that can contribute significantly to these processes is the effect of water hydration on the formation and reaction of radiation induced by these radicals in and / or around DNA. B-DNA requires about 30% by weight of water to maintain its native conformation in the crystalline state. The transformation depends on various factors such as sequence, ion composition, concentration and water activity. Partial dehydration converts it to DNA-A. The present study shows the results of theoretical calculations for positrons and electrons elastic scattering with DNA medium and water over a broad energy range from 10 eV to 100 keV. Indeed, electron elastic cross sections and elastic mean free paths are calculated using a corrected form of the independent atom method, taking into account the geometry of the biomolecule (SCAR macro). Moreover, the elastic scattering of electrons and positrons by atoms of the biomolecule was evaluated by means of relativistic (Dirac) partial wave analysis. Our calculated results are compared with theoretical data available in the literature in the absence of experimental data, in particular for positron. As a central result, our electron elastic cross sections are in good agreement with existing theoretical data in the range of 10 eV to 1 keV.

Keywords: elastic cross scrion, elastic mean free path, scar macro method, electron collision

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8717 Modeling Nanomechanical Behavior of ZnO Nanowires as a Function of Nano-Diameter

Authors: L. Achou, A. Doghmane

Abstract:

Elastic performances, as an essential property of nanowires (NWs), play a significant role in the design and fabrication of modern nanodevices. In this paper, our interest is focused on ZnO NWs to investigate wire diameter (Dwire ≤ 400 nm) effects on elastic properties. The plotted data reveal that a strong size dependence of the elastic constants exists when the wire diameter is smaller than ~ 100 nm. For larger diameters (Dwire > 100 nm), these ones approach their corresponding bulk values. To enrich this study, we make use of the scanning acoustic microscopy simulation technique. The calculation methodology consists of several steps: determination of longitudinal and transverse wave velocities, calculation of refection coefficients, calculation of acoustic signatures and Rayleigh velocity determination. Quantitatively, it was found that changes in ZnO diameters over the ranges 1 nm ≤ Dwire ≤ 100 nm lead to similar exponential variations, for all elastic parameters, of the from: A = a + b exp(-Dwire/c) where a, b, and c are characteristic constants of a given parameter. The developed relation can be used to predict elastic properties of such NW by just knowing its diameter and vice versa.

Keywords: elastic properties, nanowires, semiconductors, theoretical model, ZnO

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8716 Influence of Crystal Orientation on Electromechanical Behaviors of Relaxor Ferroelectric P(VDF-TRFE-CTFE) Terpolymer

Authors: Qing Liu, Jean-fabien Capsal, Claude Richard

Abstract:

In this current contribution, authors are dedicated to investigate influence of the crystal lamellae orientation on electromechanical behaviors of relaxor ferroelectric Poly (vinylidene fluoride –trifluoroethylene -chlorotrifluoroethylene) (P(VDF-TrFE-CTFE)) films by control of polymer microstructure, aiming to picture the full map of structure-property relationship. In order to define their crystal orientation films, terpolymer films were fabricated by solution-casting, stretching and hot-pressing process. Differential scanning calorimetry, impedance analyzer, and tensile strength techniques were employed to characterize crystallographic parameters, dielectric permittivity, and elastic Young’s modulus respectively. In addition, large electrical induced out-of-plane electrostrictive strain was obtained by cantilever beam mode. Consequently, as-casted pristine films exhibited surprisingly high electrostrictive strain 0.1774% due to considerably small value of elastic Young’s modulus although relatively low dielectric permittivity. Such reasons contributed to large mechanical elastic energy density. Instead, due to 2 folds increase of elastic Young’s modulus and less than 50% augmentation of dielectric constant, fully-crystallized film showed weak electrostrictive behavior and mechanical energy density as well. And subjected to mechanical stretching process, Film C exhibited stronger dielectric constant and out-performed electrostrictive strain over Film B because edge-on crystal lamellae orientation induced by uniaxially mechanical stretch. Hot-press films were compared in term of cooling rate. Rather large electrostrictive strain of 0.2788% for hot-pressed Film D in quenching process was observed although its dielectric permittivity equivalent to that of pristine as-casted Film A, showing highest mechanical elastic energy density value of 359.5 J/m^3. In hot-press cooling process, dielectric permittivity of Film E saw values at 48.8 concomitant with ca.100% increase of Young’s modulus. Films with intermediate mechanical energy density were obtained.

Keywords: crystal orientation, electrostroctive strain, mechanical energy density, permittivity, relaxor ferroelectric

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8715 The Effect of Crack Size, Orientation and Number on the Elastic Modulus of a Cracked Body

Authors: Mark T. Hanson, Alan T. Varughese

Abstract:

Osteoporosis is a disease affecting bone quality which in turn can increase the risk of low energy fractures. Treatment of osteoporosis using Bisphosphonates has the beneficial effect of increasing bone mass while at the same time has been linked to the formation of atypical femoral fractures. This has led to the increased study of micro-fractures in bones of patients using Bisphosphonate treatment. One of the mechanics related issues which have been identified in this regard is the loss in stiffness of bones containing one or many micro-fractures. Different theories have been put forth using fracture mechanics to determine the effect of crack presence on elastic properties such as modulus. However, validation of these results in a deterministic way has not been forthcoming. The present analysis seeks to provide this deterministic evaluation of fracture’s effect on the elastic modulus. In particular, the effect of crack size, crack orientation and crack number on elastic modulus is investigated. In particular, the Finite Element method is used to explicitly determine the elastic modulus reduction caused by the presence of cracks in a representative volume element. Single cracks of various lengths and orientations are examined as well as cases of multiple cracks. Cracks in tension as well as under shear stress are considered. Although the focus is predominantly two-dimensional, some three-dimensional results are also presented. The results obtained show the explicit reduction in modulus caused by the parameters of crack size, orientation and number noted above. The present results allow the interpretation of the various theories which currently exist in the literature.

Keywords: cracks, elastic, fracture, modulus

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