Search results for: second order elastic constants

Authors: Mohammad Anwar, Shah Waliullah

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The development of science and technology in the present era has an urgent demand for the training of thinking of undergraduates. This requirement actively promotes research and teaching of basic theories, beneficial to the career development of students. This study clarified the dialectical relation between the thermodynamic equilibrium constant and reaction rate constant through the contrast thinking method. Findings reveal that both the isobaric Van't Hoff equation and the Arrhenius equation had four similar forms, and the change in the trend of both constants showed a similar law. By the derivation of the formation rate constant of the product (KY) and the consumption rate constant of the reactant (KA), the ratio of both constants at the end state indicated the nature of the equilibrium state in agreement with that of the thermodynamic equilibrium constant (K^θ (T)). This study has thus presented that the thermodynamic equilibrium constant contained the characteristics of microscopic dynamics based on the analysis of the reaction mechanism, and both constants are organically connected and unified. The reaction enthalpy and activation energy are closely related to each other with the same connotation.

Keywords: thermodynamic equilibrium constant, reaction rate constant, PBL teaching, dialectical relation, innovative thinking

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Authors: Mohamed Eldessouki, Ebraheem Shady, Yasser Gowayed

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Carbon nanotubes (CNTs) are known for having high elastic properties with high surface area that promote them as good candidates for reinforcing polymeric matrices. In composite materials, CNTs lack chemical bonding with the surrounding matrix which decreases the possibility of better stress transfer between the components. In this work, a chemical treatment for activating the surface of the multi-wall carbon nanotubes (MWCNT) was applied and the effect of this functionalization on the elastic properties of the epoxy nanocomposites was studied. Functional amino-groups were added to the surface of the CNTs and it was evaluated to be about 34% of the total weight of the CNTs. Elastic modulus was found to increase by about 40% of the neat epoxy resin at CNTs’ weight fraction of 0.5%. The elastic modulus was found to decrease after reaching a certain concentration of CNTs which was found to be 1% wt. The scanning electron microscopic pictures showed the effect of the CNTs on the crack propagation through the sample by forming stress concentrated spots at the nanocomposite samples.

Keywords: carbon nanotubes functionalization, crack propagation, elastic modulus, epoxy nanocomposites

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Authors: Zhiming Ye, Dejiang Wang, Huiling Zhao

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Development of the technology demands a higher-level research on the mechanical behavior of materials. Structural members made of bi-modulus materials have different elastic modulus when they are under tension and compression. The stress and strain states of the point effect on the elastic modulus and Poisson ratio of every point in the bi-modulus material body. Accompanied by the uncertainty and nonlinearity of the elastic constitutive relation is the complicated nonlinear problem of the bi-modulus members. In this paper, the small displacement and large displacement finite element method for the bi-modulus members have been proposed. Displacement nonlinearity is considered in the elastic constitutive equation. Mechanical behavior of slender bi-modulus beam-column under different boundary conditions and loading patterns has been simulated by the proposed method. The influence factors on the ultimate bearing capacity of slender beam and columns have been studied. The results show that as the ratio of tensile modulus to compressive modulus increases, the error of the simulation employing the same elastic modulus theory exceeds the engineering permissible error.

Keywords: bi-modulus, ultimate capacity, beam-column, nonlinearity

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Authors: Desmond Adair, Kairat Ismailov, Martin Jaeger

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Modelling of Timoshenko beams on elastic foundations has been widely used in the analysis of buildings, geotechnical problems, and, railway and aerospace structures. For the elastic foundation, the most widely used models are one-parameter mechanical models or two-parameter models to include continuity and cohesion of typical foundations, with the two-parameter usually considered the better of the two. Knowledge of free vibration characteristics of beams on an elastic foundation is considered necessary for optimal design solutions in many engineering applications, and in this work, the efficient and accurate variational iteration method is developed and used to calculate natural frequencies of a Timoshenko beam on a two-parameter foundation. The variational iteration method is a technique capable of dealing with some linear and non-linear problems in an easy and efficient way. The calculations are compared with those using a finite-element method and other analytical solutions, and it is shown that the results are accurate and are obtained efficiently. It is found that the effect of the presence of the two-parameter foundation is to increase the beam’s natural frequencies and this is thought to be because of the shear-layer stiffness, which has an effect on the elastic stiffness. By setting the two-parameter model’s stiffness parameter to zero, it is possible to obtain a one-parameter foundation model, and so, comparison between the two foundation models is also made.

Keywords: Timoshenko beam, variational iteration method, two-parameter elastic foundation model

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Authors: Javad Shamsi Soosahab, Reza Ziaie Moayed

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The compressive and tensile bearing capacity of helical piles in sand is investigated by means of numerical modeling. The analyses are carried out using two-dimensional finite-element software, Optum G2. The load–displacement behavior under compression and tension is compared in different relative densities for constant and various elastic modulus. The criterion used to find the ultimate axial load is the load corresponding to 5% of the helical diameter. The results show that relative density of sand plays an essential role in the response of ultimate capacities towards various condition. Increase in elastic modulus with depth is found to play a relatively more significant role to the increase in ultimate compressive load capacities, however tension bearing capacity decreases.

Keywords: helical piles, Optum G2, relative density, constant and various elastic modulus

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Authors: Neslihan Genckal, Reha Gursoy, Vedat Z. Dogan

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In this study, dynamic responses of composite plates on elastic foundations subjected to impact and moving loads are investigated. The first order shear deformation (FSDT) theory is used for moderately thick plates. Pasternak-type (two-parameter) elastic foundation is assumed. Elastic foundation effects are integrated into the governing equations. It is assumed that plate is first hit by a mass as an impact type loading then the mass continues to move on the composite plate as a distributed moving loading, which resembles the aircraft landing on airport pavements. Impact and moving loadings are modeled by a mass-spring-damper system with a wheel. The wheel is assumed to be continuously in contact with the plate after impact. The governing partial differential equations of motion for displacements are converted into the ordinary differential equations in the time domain by using Galerkin’s method. Then, these sets of equations are solved by using the Runge-Kutta method. Several parameters such as vertical and horizontal velocities of the aircraft, volume fractions of the steel rebar in the reinforced concrete layer, and the different touchdown locations of the aircraft tire on the runway are considered in the numerical simulation. The results are compared with those of the ABAQUS, which is a commercial finite element code.

Keywords: elastic foundation, impact, moving load, thick plate

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Authors: Arber Sejdiji, Jan Schmitz-Huebsch, Christian Mittelstedt

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Due to its use in a broad range of temperatures, the prediction of elastic properties of fiber composite materials under thermal load is significant. Especially the transversal stiffness dominates the potential of use for fiber-reinforced composites (FRC). A numerical study on the influence of thermal stress on transversal stiffness of fiber-reinforced composites is presented. In the numerical study, a representative volume element (RVE) is used to estimate the elastic properties of a unidirectional ply with finite element method (FEM). For the investigation, periodic boundary conditions are applied to the RVE. Firstly, the elastic properties under pure mechanical load are derived numerically and compared to results, which are obtained by analytical methods. Thereupon thermo-mechanical load is implemented into the model to investigate the influence of temperature change with low temperature as a key aspect. Regarding low temperatures, the transversal stiffness increases intensely, especially when thermal stress is dominant over mechanical stress. This paper outlines the employed numerical methods as well as the derived results.

Keywords: elastic properties, micromechanics, thermal stress, representative volume element

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Authors: S. C. Kattimani

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This article deals with the analysis of active constrained layer damping (ACLD) of smart multiferroic or magneto-electro-elastic doubly curved shells. The kinematics of deformations of the multiferroic doubly curved shell is described by a layer-wise shear deformation theory. A three-dimensional finite element model of multiferroic shells has been developed taking into account the electro-elastic and magneto-elastic couplings. A simple velocity feedback control law is employed to incorporate the active damping. Influence of layer stacking sequence and boundary conditions on the response of the multiferroic doubly curved shell has been studied. In addition, for the different orientation of the fibers of the constraining layer, the performance of the ACLD treatment has been studied.

Keywords: active constrained layer damping (ACLD), doubly curved shells, magneto-electro-elastic, multiferroic composite, smart structures

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Authors: Aouina Nabila Yasmina, Zine El Abidine Chaoui

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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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Authors: M. Fatmi, B. Gueridi, Z. Zerrougui

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Some physical properties of hexahalometallate K₂XBr₆(X=Se, Pt) were computed in the zinc blend structure using generalized gradient approximation. The cell constant of K₂SeBr₆ and K₂PtBr₆ is consistent with the experiment value quoted in the literature, where the error is 0.95 % and 1 %. K₂SeBr₆ and K₂PtBr₆ present covalent bonding, high anisotropy and are ductile. The elastic constants of K₂SeBr₆ and K₂PtBr₆ are significantly smaller due to their larger reticular distances and lower Colombian forces, and then they are soft and damage tolerant. The interatomic separation is greater in K₂SeBr₆ than in K₂PtBr₆; hence the Colombian interaction in K₂PtBr₆ is greater than that of K2SeBr₆. The internal coordinate of the Br atom in K₂PtBr₆ is lower than that of the same atom in K2SeBr₆, and this can be explained by the fact that it is inversely proportional to the atom radius of Se and Pt. There are two major plasmonic processes, with intensities of 3.7 and 1.35, located around 53.5 nm and 72.8 nm for K₂SeBr₆ and K₂PtBr₆.

Keywords: hexahalometallate, band structure, morphology, absorption, band gap, absorber

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Authors: Rimzhim Gupta, Bhanupriya Boruah, Jayant M. Modak, Giridhar Madras

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Microbial contamination is one of the major concerns in the field of water treatment. AOP (advanced oxidation processes) is well-established method to resolve the issue of removal of contaminants in water. A Z-scheme composite g-C₃N₄/CuWO₄ was synthesized by sol-gel method for the photocatalytic inactivation of a mixed population of Gram-positive bacteria (S. aureus) and Gram-negative bacteria (E. coli). The photoinactivation was observed for different types of bacteria in the same medium together and individually in the absence of the nutrients. The lattice structures and phase purities were determined by X-ray diffraction. For morphological and topographical features, scanning electron microscopy and transmission electron microscopy analyses were carried out. The band edges of the semiconductor (valence band and conduction band) were determined by ultraviolet photoelectron microscopy. The lifetime of the charge carriers and band gap of the semiconductors were determined by time resolved florescence spectroscopy and diffused reflectance spectroscopy, respectively. The effect of weight ratio of C₃N₄ and CuWO₄ was observed by performing photocatalytic experiments. To investigate the exact mechanism and major responsible radicals for photocatalysis, scavenger studies were performed. The rate constants and order of the inactivation reactions were obtained by power law kinetics. For E. coli and S. aureus, the order of reaction and rate constants are 1.15, 0.9 and 1.39 ± 0.03 (CFU/mL)⁻⁰.¹⁵ h⁻¹, 47.95 ± 1.2 (CFU/mL)⁰.¹ h⁻¹, respectively.

Keywords: z-scheme, E. coli, S. aureus, sol-gel

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Authors: Hussein Hakim, Zainab Al-Ramadhan, Ahmed Hashim

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Polymer nano composites of polyvinylpyrrolidone and poly-ethylene glycol with different concentrations of aluminum oxide (Al2O3) nano particles have been prepared by solution cast method. The optical characterizations have been done by analyzing the absorption (A) spectra in the 300–800 nm spectral region. It was found that the optical energy gap decreases with the increasing of Al2O3 nano particles content. The optical constants (refractive index, extinction coefficient, real and imaginary parts of the dielectric constant) are changing with increasing aluminum oxide nano particle concentrations.

Keywords: nanocomposites, polyvinylpyrrolidone, optical constants, polymers, blend

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Authors: Aouina Nabila Yasmina, Chaoui Zine El Abiddine

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This study presents a comprehensive investigation into the elastic mean free path (EMFP) of electrons colliding with pyrimidine, a precursor to the pyrimidine bases in DNA, employing the Screen Corrected Additivity Rule (SCAR) method. The SCAR method is introduced as a novel approach that combines classical and quantum mechanical principles to elucidate the interaction of electrons with pyrimidine. One of the most fundamental properties characterizing the propagation of a particle in the nuclear medium is its mean free path. Knowledge of the elastic mean free path is essential to accurately predict the effects of radiation on biological matter, as it contributes to the distances between collisions. Additionally, the mean free path plays a role in the interpretation of almost all experiments in which an excited electron moves through a solid. Pyrimidine, the precursor of the pyrimidine bases of DNA, has interesting physicochemical properties, which make it an interesting molecule to study from a fundamental point of view. These include a relatively large dipole polarizability and dipole moment and an electronic charge cloud with a significant spatial extension, which justifies its choice in this present study.

Keywords: elastic mean free path, elastic collision, pyrimidine, SCAR

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Authors: Wu Xiaojun, Liu Ruiping, Yu Xingzhan, Wu Qian

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In precision grinding, utilizing the elastic matrix ball has higher processing efficiency and better superficial quality than traditional grinding. The diversity of characteristics which elastic abrasive tool contact with bend surface results in irregular wear abrasion，and abrasive tool machining status get complicated. There is no theoretical interpretation that parameters affect the grinding accuracy.Aiming at corrosion resistance, wear resistance and other characteristics of M 300 material, it is often used as a material on aerospace precision components. The paper carried out grinding and polishing experiments by using material of M 300,to theoretically show the relationship between stress magnitude and grinding efficiency，and predict the optimal combination of grinding parameter for effective grinding, just for the high abrasion resistance features of M 300, analyzing the micro-contact of elastic ball abrasive tool (Whetstone), using mathematical methods deduce the functional relationship between residual peak removal rate and the main parameters which impact the grinding accuracy on the plane case.Thus laying the foundation for the study of elastic abrasive prediction and compensation.

Keywords: flexible abrasive tool, polishing parameters, Hertz theory, removal rate

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Authors: M. Shaban, A. Alibeigloo

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This paper studies free vibration behavior of single-walled carbon nanotubes (SWCNTs) embedded on elastic medium based on three-dimensional theory of elasticity. To accounting the size effect of carbon nanotubes, nonlocal theory is adopted to shell model. The nonlocal parameter is incorporated into all constitutive equations in three dimensions. The surrounding medium is modeled as two-parameter elastic foundation. By using Fourier series expansion in axial and circumferential direction, the set of coupled governing equations are reduced to the ordinary differential equations in thickness direction. Then, the state-space method as an efficient and accurate method is used to solve the resulting equations analytically. Comprehensive parametric studies are carried out to show the influences of the nonlocal parameter, radial and shear elastic stiffness, thickness-to-radius ratio and radius-to-length ratio.

Keywords: carbon nanotubes, embedded, nonlocal, free vibration

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Authors: Benselama Khadidja, El Meiche Noureddine

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This paper presents the effect of hybridization material on the variation of non-dimensional critical buckling load with different cross-ply laminates plate resting on elastic foundations of Winkler and Pasternak types subjected to combine uniaxial and biaxial loading by using two variable refined plate theories. Governing equations are derived from the Principle of Virtual Displacement; the formulation is based on a new function of shear deformation theory taking into account transverse shear deformation effects vary parabolically across the thickness satisfying shear stress-free surface conditions. These equations are solved analytically using the Navier solution of a simply supported. The influence of the various parameters geometric and material, the thickness ratio, and the number of layers symmetric and antisymmetric hybrid laminates material has been investigated to find the critical buckling loads. The numerical results obtained through the present study with several examples are presented to verify and compared with other models with the ones available in the literature.

Keywords: buckling, hybrid cross-ply laminates, Winkler and Pasternak, elastic foundation, two variables plate theory

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Authors: Ilker Kalkan, Saruhan Kartal

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Reinforced concrete (RC) beams rarely undergo lateral-torsional buckling (LTB), since these beams possess large lateral bending and torsional rigidities owing to their stocky cross-sections, unlike steel beams. However, the problem of LTB is becoming more and more pronounced in the last decades as the span lengths of concrete beams increase and the cross-sections become more slender with the use of pre-stressed concrete. The buckling moment of a beam mainly depends on its lateral bending rigidity and torsional rigidity. The nonhomogeneous and elastic-inelastic nature of RC complicates estimation of the buckling moments of concrete beams. Furthermore, the lateral bending and torsional rigidities of RC beams and the buckling moments are affected from different forms of concrete cracking, including flexural, torsional and restrained shrinkage cracking. The present study pertains to the effects of concrete cracking on the torsional rigidities of RC beams prone to elastic LTB. A series of tests on rather slender RC beams indicated that torsional cracking does not initiate until buckling in elastic LTB, while flexural cracking associated with lateral bending takes place even at the initial stages of loading. Hence, the present study clearly indicated that the un-cracked torsional rigidity needs to be used for estimating the buckling moments of RC beams liable to elastic LTB.

Keywords: lateral stability, post-cracking torsional rigidity, uncracked torsional rigidity, critical moment

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Authors: A. Shooshtari, A. R. Masoodi, S. Heyrani Moghaddam

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Free vibration analysis of a gabled frame with elastic support and semi-rigid connections is performed by using a program in OpenSees software. Natural frequencies and mode shape details of frame are obtained for two states, which are semi-rigid connections and elastic supports, separately. The members of this structure are analyzed as a prismatic nonlinear beam-column element in software. The mass of structure is considered as two equal lumped masses at the head of two columns in horizontal and vertical directions. Note that the degree of freedom, allocated to all nodes, is equal to three. Furthermore, the mode shapes of frame are achieved. Conclusively, the effects of connections and supports flexibility on the natural frequencies and mode shapes of structure are investigated.

Keywords: natural frequency, mode shape, gabled frame, semi-rigid connection, elastic support, OpenSees software

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Authors: Shin-Ku Lee, Ming-Tsu Ho

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A newly proposed antireflective selector with shuffled structure is reported in this paper. The proposed idea is made of two different quarter wavelength (QW) slabs and numerically supported by the one-dimensional simulation results provided by the method of characteristics (MOC) to function as an antireflective selector. These two QW slabs are characterized by dielectric constants εᵣA and εᵣB, uniformly divided into N and N+1 pieces respectively which are then shuffled to form an antireflective plate with B(AB)N structure such that there is always one εᵣA piece between two εᵣB pieces. Another is A(BA)N structure where every εᵣB piece is sandwiched by two εᵣA pieces. Both proposed structures are numerically proved to function as QW plates. In order to allow maximum transmission through the proposed structures, the two dielectric constants are chosen to have the relation of (εᵣA)² = εᵣB > 1. The advantages of the proposed structures over the traditional anti-reflection coating techniques are two components with two thicknesses and to shuffle to form new QW structures. The design wavelength used to validate the proposed idea is 71 mm corresponding to a frequency about 4.225 GHz. The computational results are shown in both time and frequency domains revealing that the proposed structures produce minimum reflections around the frequency of interest.

Keywords: method of characteristics, quarter wavelength, anti-reflective plate, propagation of electromagnetic fields

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Authors: Mark T. Hanson, Alan T. Varughese

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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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Authors: Bachir Chemani, Rachid Halfaoui, Madani Maalem

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The manufacturing technology of band cotton is very delicate and depends to choice of certain parameters such as torsion of warp yarn. The fabric elasticity is achieved without the use of any elastic material, chemical expansion, artificial or synthetic and it’s capable of creating pressures useful for therapeutic treatments.Before use, the band is subjected to treatments of specific preparation for obtaining certain elasticity, however, during its treatment, there are some regression parameters. The dependence of manufacturing parameters on the quality of the chemical treatment was confirmed. The aim of this work is to improve the properties of the fabric through the development of manufacturing technology appropriately. Finally for the treatment of the strip pancake 100% cotton, a treatment method is recommended.

Keywords: elastic, cotton, processing, torsion

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Authors: Chongyang Ye, Rong Liu

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Compression textiles such as compression stockings (CSs) have been extensively applied for the prevention and treatment of chronic venous insufficiency of lower extremities. The involvement of multiple mechanical factors such as interface pressure, frictional force, and elastic materials make the interactions between lower limb and CSs to be complex. Determination of Poisson’s ratio and elastic moduli of CS materials are critical for constructing finite element (FE) modeling to numerically simulate a complex interactive system of CS and lower limb. In this study, a mixed approach, including an analytic model based on the orthotropic Hooke’s Law and experimental study (uniaxial tension testing and pure shear testing), has been proposed to determine Young’s modulus, Poisson’s ratio, and shear modulus of CS fabrics. The results indicated a linear relationship existing between the stress and strain properties of the studied CS samples under controlled stretch ratios (< 100%). The newly proposed method and the determined key mechanical properties of elastic orthotropic CS fabrics facilitate FE modeling for analyzing in-depth the effects of compression material design on their resultant biomechanical function in compression therapy.

Keywords: elastic compression stockings, Young’s modulus, Poisson’s ratio, shear modulus, mechanical analysis

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Authors: Trevor Sabiston, Mohsen Mohammadi, Mohammed Cherkaoui, Kaan Inal

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A new micromechanics framework is developed for long fibre reinforced composites using a single fibre surrounded by a functionally graded interphase and matrix as a representative unit cell. The unit cell is formulated to represent any number of aligned fibres by a single fibre. Using this model the elastic response of long fibre composites is predicted in all directions. The model is calibrated to experimental results and shows very good agreement in the elastic regime. The differences between the proposed model and existing models are discussed.

Keywords: computational mechanics, functionally graded interphase, long fibre composites, micromechanics

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Authors: Adam Kurnicki, Bartłomiej Stanczyk, Bartosz Kania

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This paper presents development of the light-weight manipulator with series elastic actuation for medical telediagnostics (USG examination). General structure of realized impedance control algorithm was shown. It was described how to perform force measurements based mainly on elasticity of manipulator links.

Keywords: telediagnostics, elastic manipulator, impedance control, force measurement

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Authors: Hyun Joon Chang, Jae In Kim, Sungsoo Na

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Kinesin-1 (hereafter called kinesin) is a molecular motor protein that moves cargos toward the end of microtubules using the energy of adenosine triphosphate (ATP) hydrolysis. When kinesin is inactive, its tail autoinhibits the motor chain in order to prevent from reacting with the ATP by cross-linking of the tail domain to the motor domains at two positions. However, the morphological study of kinesin during autoinhibition is yet remained obscured. In this study, we report the effect of the binding site of the tail domain using the normal mode analysis of the elastic network model on kinesin in the tail-free form and tail-bind form. Considering the relationship between the connectivity of conventional network model with respect to the cutoff length and the functionality of the binding site of the tail, we revaluated the network model to observe the key role of the tail domain in its structural aspect. Contingent on the existence of the tail domain, the results suggest the morphological stability of the motor domain. Furthermore, employing the results from normal mode analysis, we have determined the strain energy of the neck linker, an essential portion of the motor domain for ATP hydrolysis. The results of the neck linker also converge to the same indication, i.e. the morphological analysis of the motor domain.

Keywords: elastic network model, Kinesin-1, autoinhibition

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Authors: Thipsupar Pureprasert, Niwat Anuwongnukroh, Surachai Dechkunakorn, Surapich Loykulanant, Chaveewan Kongkaew, Wassana Wichai

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Objective: Orthodontic elastic bands made from natural rubber continue to be commonly used due to their favorable characteristics. However, there are concerns associated cytotoxicity due to harmful components released during conventional vulcanization (sulfur-based method). With the co-operation of The National Metal and Materials Technology Center (MTEC) and Faculty of Dentistry Mahidol University, a method was introduced to reduce toxic components by leaching the orthodontic elastic bands with NaOH solution. Objectives: To evaluate the mechanical properties of Thai and commercial orthodontic elastic brands (Ormco and W&H) leached with NaOH solution. Material and methods: Three elastic brands (N =30, size ¼ inch, 4.5 oz.) were tested for mechanical properties in terms of initial extension force, residual force, force loss, breaking strength and maximum displacement using a Universal Testing Machine. Results : Force loss significantly decreased in Thai-LEACH and W&H-LEACH, whereas the values increased in Ormco-LEACH (P < 0.05). The data exhibited a significantly decrease in breaking strength with Thai-LEACH and Ormco-LEACH, whereas all 3 brands revealed a significantly decrease in maximum displacement with the leaching process (P < 0.05). Conclusion: Leaching with NaOH solution is a new method, which can remove toxic components from orthodontic latex elastic bands. However, this process can affect their mechanical properties. Leached elastic bands from Thai had comparable properties with Ormco and have potential to be developed as a promising product.

Keywords: leaching, orthodontic elastics, natural rubber latex, orthodontic

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Authors: Fouzieh Rouzmehr, Mehdi Mousavi

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Hot mix asphalt concrete (HMAC) is a mixture of aggregates and bitumen. The primary ingredient that determines the mechanical properties of HMAC is the bitumen in it, which displays viscoelastic behavior under normal service conditions. For simplicity, asphalt concrete is considered an elastic material, but this is far from reality at high service temperatures and longer loading times. Viscoelasticity means that the material's stress-strain relationship depends on the strain rate and loading duration. The goal of this paper is to simulate the mechanical response of flexible pavements using linear elastic and viscoelastic modeling of asphalt concrete and predict pavement performance. Falling Weight Deflectometer (FWD) load will be simulated and the results for elastic and viscoelastic modeling will be evaluated. The viscoelastic simulation is performed by the Prony series, which will be modeled by using ANSYS software. Inflexible pavement design, tensile strain at the bottom of the surface layer and compressive strain at the top of the last layer plays an important role in the structural response of the pavement and they will imply the number of loads for fatigue (Nf) and rutting (Nd) respectively. The differences of these two modelings are investigated on fatigue cracking and rutting problem, which are the two main design parameters in flexible pavement design. Although the differences in rutting problem between the two models were negligible, in fatigue cracking, the viscoelastic model results were more accurate. Results indicate that modeling the flexible pavement with elastic material is efficient enough and gives acceptable results.

Keywords: flexible pavement, asphalt, FEM, viscoelastic, elastic, ANSYS, modeling

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Authors: Luis Prada, Jose Gomez, Arlex Chaves, Julio Pedraza

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Polymeric liquids have been used in the oil industry, especially at enhanced oil recovery (EOR). From the rheological point of view, polymers have the particularity of being viscoelastic liquids. One of the most common and useful models to describe that behavior is the Upper Convected Maxwell model (UCM). The main characteristic of the polymer used in EOR process is the increase in viscosity which pushes the oil outside of the reservoir. The elasticity could contribute in the drag of the oil that stays in the reservoir. Studying the elastic effect on the oil drop at the pore scale, bring an explanation if the addition of elastic force could mobilize the oil. This research explores if the contraction and expansion of the polymer in the pore scale may increase the elastic behavior of this kind of fluid. For that reason, this work simplified the pore geometry and build two simple geometries with micrometer lengths. Using source terms with the user define a function this work introduces the UCM model in the ANSYS fluent simulator with the purpose of evaluating the elastic effect of the polymer in a contraction and expansion geometry. Also, using the Eulerian multiphase model, this research considers the possibility that extra elastic force will show a deformation effect on the oil; for that reason, this work considers an oil drop on the upper wall of the geometry. Finally, all the simulations exhibit that at the pore scale conditions exist extra vortices at UCM model but is not possible to deform the oil completely and push it outside of the restrictions, also this research find the conditions for the oil displacement.

Keywords: ANSYS fluent, interfacial fluids mechanics, polymers, pore scale, viscoelasticity

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Authors: David Ryan, Martin Breugst, Turlough Downes, Peter A. Byrne, Gerard P. McGlacken

Abstract:

An ambident nucleophile is a nucleophile that possesses two or more distinct nucleophilic sites that are linked through resonance and are effectively “in competition” for reaction with an electrophile. Examples include enolates, pyridone anions, and nitrite anions, among many others. Reactions of ambident nucleophiles and electrophiles are extremely prevalent at all levels of organic synthesis. The principle of hard and soft acids and bases (the “HSAB principle”) is most commonly cited in the explanation of selectivities in such reactions. Although this rationale is pervasive in any discussion on ambident reactivity, the HSAB principle has received considerable criticism. As a result, the principle’s supplantation has become an area of active interest in recent years. This project focuses on developing a model for rationalizing ambident reactivity. Presented here is an approach that incorporates computational calculations and experimental kinetic data to construct Gibbs energy profile diagrams. The preferred site of alkylation of nitrite anion with a range of ‘hard’ and ‘soft’ alkylating agents was established by ¹H NMR spectroscopy. Pseudo-first-order rate constants were measured directly by ¹H NMR reaction monitoring, and the corresponding second-order constants and Gibbs energies of activation were derived. These, in combination with computationally derived standard Gibbs energies of reaction, were sufficient to construct Gibbs energy wells. By representing the ambident system as a series of overlapping Gibbs energy wells, a more intuitive picture of ambident reactivity emerges. Here, previously unexplained switches in reactivity in reactions involving closely related electrophiles are elucidated.

Keywords: ambident, Gibbs, nucleophile, rates

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Authors: M. N. A. Abdullah, Pritha Roy, R. R. Shil, D. R. Sarker

Abstract:

Alpha-nucleus interaction is obscured because it produces enhanced cross-sections at large scattering angles known as anomaly in large angle scattering (ALAS). ALAS is prominent in the elastic scattering of α-particles as well as in non-elastic processes involving α-particles for incident energies up to 50 MeV and for targets of mass A ≤ 50. The Woods-Saxon type of optical model potential fails to describe the processes in a consistent manner. Folded potential is a good candidate and often used to construct the potential which is derived from the microscopic as well as semi-microscopic folding calculations. The present work reports the analyses of the elastic scattering of α-particles from ²⁴Mg and ²⁸Si at Eα=22-100 MeV and 14.4-120 MeV incident energies respectively in terms of the modified single-folded (MSF) potential. To derive the MSF potential, we take the view that the nucleons in the target nuclei ²⁴Mg and ²⁸Si are primarily in α-like clusters and the rest of the time in unclustered nucleonic configuration. The MSF potential, found in this study, does not need any renormalization over the whole range of incident α energies, and the renormalization factor has been found to be exactly 1 for both the targets. The best-fit parameters yield 4Aα = 21 and AN = 3 for α-²⁴Mg potential, and 4Aα = 26 and AN = 2 for α-²⁸Si potential in time-average pictures. The root-mean-square radii of both ²⁴Mg and ²⁸Si are also deduced, and the results obtained from this work agree well with the outcomes of other studies.

Keywords: elastic scattering, optical model, folded potential, renormalization

Procedia PDF Downloads 206