Search results for: elastic collision

Authors: K. Shimazaki, M. Mishina, A. Fujii

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In a previous study, we developed a hazard-perception training tool for drivers using a tablet device and verified its effectiveness. Accident movies recorded by drive recorders were separated into scenes before and after the collision. The scene before the collision is presented to the driver. The driver then touches the screen to point out where he/she feels danger. After the screen is touched, the tool presents the collision scene and tells the driver if what he/she pointed out is correct. Various effects were observed such as this tool increased the discovery rate of collision targets and reduced the reaction time. In this study, we optimized this tool for the smartphone and verified its effectiveness. Verifying in the same way as in the previous study on tablet devices clarified that the same effect can be obtained on the smartphone screen.

Keywords: hazard perception, smartphone, tablet devices, driver education

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Authors: E. Güler, M. Güler

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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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Authors: Anuta Mukherjee, Saswati Mukherjee

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Data is growing everyday. Social networking sites such as Twitter are becoming an integral part of our daily lives, contributing a large increase in the growth of data. It is a rich source especially for sentiment detection or mining since people often express honest opinion through tweets. However, although sentiment analysis is a well-researched topic in text, this analysis using Twitter data poses additional challenges since these are unstructured data with abbreviations and without a strict grammatical correctness. We have employed collision theory to achieve sentiment analysis in Twitter data. We have also incorporated discourse analysis in the collision theory based model to detect accurate sentiment from tweets. We have also used the retweet field to assign weights to certain tweets and obtained the overall weightage of a topic provided in the form of a query. Hadoop has been exploited for speed. Our experiments show effective results.

Keywords: sentiment analysis, twitter, collision theory, discourse analysis

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

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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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Authors: M. Madigoe, R. Modiba

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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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Authors: Conner Side, Hunter Pearce

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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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Authors: Hyungoo Kang, Minsung Kim, Jinkoo Kim

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This study investigates the performance of a 2D and 3D steel moment frame subjected to vehicle collision at a first story column using LS-DYNA. The finite element models of vehicles provided by the National Crash Analysis Center (NCAC) are used for numerical analysis. Nonlinear dynamic time history analysis of the 2D and 3D model structures are carried out based on the arbitrary column removal scenario, and the vertical displacement of the damaged structures are compared with that obtained from collision analysis. The analysis results show that the model structure remains stable when the speed of the vehicle is 40km/h. However, at the speed of 80 and 120km/h both the 2D and 3D structures collapse by progressive collapse. The vertical displacement of the damaged joint obtained from collision analysis is significantly larger than the displacement computed based on the arbitrary column removal scenario.

Keywords: vehicle collision, progressive collapse, FEM, LS-DYNA

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Authors: Klara Krizova, Rudolf Hela

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

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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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Authors: L. Achou, A. Doghmane

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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 (D_wire ≤ 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 (D_wire > 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 ≤ D_wire ≤ 100 nm lead to similar exponential variations, for all elastic parameters, of the from: A = a + b exp(-D_wire/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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Authors: Zhen Peng, Baifeng Wu

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Modern computing technology enters the era of parallel computing with the trend of sustainable and scalable parallelism. Single Instruction Multiple Data (SIMD) is an important way to go along with the trend. It is able to gather more and more computing ability by increasing the number of processor cores without the need of modifying the program. Meanwhile, in the field of scientific computing and engineering design, many computation intensive applications are facing the challenge of increasingly large amount of data. Data parallel computing will be an important way to further improve the performance of these applications. In this paper, we take the accurate collision detection in building information modeling as an example. We demonstrate a model for constructing a data parallel algorithm. According to the model, a complex object is decomposed into the sets of simple objects; collision detection among complex objects is converted into those among simple objects. The resulting algorithm is a typical SIMD algorithm, and its advantages in parallelism and scalability is unparalleled in respect to the traditional algorithms.

Keywords: data parallelism, collision detection, single instruction multiple data, building information modeling, continuous scalability

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Authors: Won Mog Choi, Seong Kyeong Hong, Seok Young Jeong

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The stress on the buried pipeline under pavement is significantly affected by vehicle loads and elastic modulus of the soil surrounding the pipeline. The correct elastic modulus of soil has to be applied to the finite element model to investigate the effect of the vehicle loads on the buried pipeline using finite element analysis. The purpose of this study is to establish the approach to calculating the correct elastic modulus of soil using the optimization process. The optimal elastic modulus of soil, which minimizes the difference between the strain measured from vehicle driving test at the velocity of 35km/h and the strain calculated from finite element analyses, was calculated through the optimization process using multi-response surface methodology. Three elastic moduli of soil (road layer, original soil, dense sand) surrounding the pipeline were defined as the variables for the optimization. Further analyses with the optimal elastic modulus at the velocities of 4.27km/h, 15.47km/h, 24.18km/h were performed and compared to the test results to verify the applicability of multi-response surface methodology. The results indicated that the strain of the buried pipeline was mostly affected by the elastic modulus of original soil, followed by the dense sand and the load layer, as well as the results of further analyses with optimal elastic modulus of soil show good agreement with the test.

Keywords: pipeline, optimization, elastic modulus of soil, response surface methodology

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Authors: Reza Ziaie Moayed, Javad Shamsi Soosahab

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Helical piles are being used extensively in engineering applications all over the world. There are insufficient studies on the helical piles' behavior in anisotropic soils. In this paper, numerical modeling was adopted to investigate the effect of elastic modulus anisotropy on helical pile behavior resting on anisotropic sand by using a finite element limit analysis. The load-displacement behavior of helical piles under compression and tension loads is investigated in different relative densities of soils, and the effect of the ratio of horizontal elastic modulus with respect to vertical elastic modulus (EH/EV) is evaluated. The obtained results illustrate that in sandy soils, the anisotropic ratio of elastic modulus (EH/EV) has notable effect on bearing capacity of helical piles in different relative density. Therefore, it may be recommended that the effect of anisotropic condition of soil elastic modulus should be considered in helical piles behavior.

Keywords: helical piles, bearing capacity, numerical modeling, soil anisotropy

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Authors: Muhammad Muzamal, Anders Rasmuson

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Wood material is extensively considered as a raw material for the production of bio-polymers, bio-fuels and value-added chemicals. However, the shortcoming in using wood as raw material is that the enzymatic hydrolysis of wood material is difficult because the accessibility of enzymes to hemicelluloses and cellulose is hindered by complex chemical and physical structure of the wood. The steam explosion (SE) pre-treatment improves the digestion of wood material by creating both chemical and physical modifications in wood. In this process, first, wood chips are treated with steam at high pressure and temperature for a certain time in a steam treatment vessel. During this time, the chemical linkages between lignin and polysaccharides are cleaved and stiffness of material decreases. Then the steam discharge valve is rapidly opened and the steam and wood chips exit the vessel at very high speed. These fast moving wood chips collide with each other and with walls of the equipment and disintegrate to small pieces. More damaged and disintegrated wood have larger surface area and increased accessibility to hemicelluloses and cellulose. The energy required for an increase in specific surface area by same value is 70 % more in conventional mechanical technique, i.e. attrition mill as compared to steam explosion process. The mechanism of wood disintegration during the SE pre-treatment is very little studied. In this study, we have simulated collision and impact of wood chips (dimension 20 mm x 20 mm x 4 mm) with each other and with walls of the vessel. The wood chips are simulated as a 3D orthotropic material. Damage and fracture in the wood material have been modelled using 3D Hashin’s damage model. This has been accomplished by developing a user-defined subroutine and implementing it in the FE software ABAQUS. The elastic and strength properties used for simulation are of spruce wood at 12% and 30 % moisture content and at 20 and 160 OC because the impacted wood chips are pre-treated with steam at high temperature and pressure. We have simulated several cases to study the effects of elastic and strength properties of wood, velocity of moving chip and orientation of wood chip at the time of impact on the damage in the wood chips. The disintegration patterns captured by simulations are very similar to those observed in experimentally obtained steam exploded wood. Simulation results show that the wood chips moving with higher velocity disintegrate more. Moisture contents and temperature decreases elastic properties and increases damage. Impact and collision in specific directions cause easy disintegration. This model can be used to efficiently design the steam explosion equipment.

Keywords: dynamic simulation, disintegration of wood, impact, steam explosion pretreatment

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Authors: Guebli Abdelkader, Zerf Mohammed, Mekkades Moulay Idriss, BenGoua Ali, Atouti Nouredinne, Habchi Nawel

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The paper aims to show the influence of angles in the results of triple jump. Whereas our background confirms that a series of motions are characterized by complex angles in the properties phase (hop, step, and jump) as a combination of the pushed phase on ultimate phases in the result. For the purpose, our results are obtained from the National Athletics Championship 2013, which was filmed and analysis by the software kinovea. Based on the statistical analysis we confirm: there is a positive relationship between angle of the leg, hip angle, angle of the trunk in the collision during (hop, step, and jump), and there is a negative correlation to the angle of the knee relationship in a collision during.

Keywords: kinematics variables, the triple jump, the finale results, digital achievement

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Authors: Arturo Ayala-Hernandez, Humberto Hijar

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We propose a new alternative method for imposing fluid-solid boundary conditions in simulations of Multiparticle Collision Dynamics. Our method is based on the introduction of an explicit potential force acting between the fluid particles and a surface representing a solid boundary. We show that our method can be used in simulations of plane Poiseuille flows. Important quantities characterizing the flow and the fluid-solid interaction like the slip coefficient at the solid boundary and the effective viscosity of the fluid, are measured in terms of the set of independent parameters defining the numerical implementation. We find that our method can be used to simulate the correct hydrodynamic flow within a wide range of values of these parameters.

Keywords: Multiparticle Collision Dynamics, fluid-solid, boundary conditions, molecular dynamics

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Authors: Ergun Guntekin

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Elastic constants of Fir wood (Abies cilicica) have been investigated by means of ultrasound and compression tests. Three modulus of elasticity in principal directions (EL, ER, ET), six Poisson’s ratios (ʋLR, ʋLT, ʋRT, ʋTR, ʋRL, ʋTL) and three shear modules (GLR, GRT, GLT) were determined. 20 x 20 x 60 mm samples were conditioned at 65 % relative humidity and 20ºC before testing. Three longitudinal and six shear wave velocities propagating along the principal axes of anisotropy, and additionally, three quasi-shear wave velocities at 45° angle with respect to the principal axes of anisotropy were measured. 2.27 MHz longitudinal and 1 MHz shear sensors were used for obtaining sound velocities. Stress-strain curves of the samples in compression tests were obtained using bi-axial extensometer in order to calculate elastic constants. Test results indicated that most of the elastic constants determined in the study are within the acceptable range. Although elastic constants determined from ultrasound are usually higher than those determined from compression tests, the values of EL and GLR determined from compression tests were higher in the study. The results of this study can be used in the numerical modeling of elements or systems under load using Fir wood.

Keywords: compression tests, elastic constants, fir wood, ultrasound

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Authors: Khalil Khanafer

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The objective of this study is to determine if there is a correlation between the biological levels of matrix metalloproteinases and tissue inhibitor of matrix metalloproteinase (TIMP) and the elastic moduli of the ascending aortic wall in patients with ascending thoracic aortic aneurysms (ATAA). Methods: Circumferential specimens from twelve patients with ATAA were obtained from the greater curvature, and their tensile properties (maximum elastic modulus) were tested uniaxially. The levels of MMP2, 3, and 9, as well as TIMP1, were determined in these aortic wall specimens using MMP/TIMP antibodies array. Direct relations were found between MMP2 and the elastic modulus of the ascending aorta wall and between MMP9 and TIMP1.

Keywords: elastic modulus, MMPs/TIMPs levels, Ascending Thoracic Aortic Aneurysm

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Authors: Hossein Kabir, Amir Hossein Hassanpour Mati-Kolaie

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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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Authors: Elena B. Cherepetskaya, Alexander A.Karabutov, Vladimir A. Makarov, Elena A. Mironova, Ivan A. Shibaev

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In our study, the object of laser ultrasonic testing was plane-parallel plate of shungit (length 41 mm, width 31 mm, height 15 mm, medium exchange density 2247 kg/m3). We used laser-ultrasonic defectoscope with wideband opto-acoustic transducer in our investigation of the velocities of longitudinal and shear elastic ultrasound waves. The duration of arising elastic pulses was less than 100 ns. Under known material thickness, the values of the velocities were determined by the time delay of the pulses reflected from the bottom surface of the sample with respect to reference pulses. The accuracy of measurement was 0.3% in the case of longitudinal wave velocity and 0.5% in the case of shear wave velocity (scanning pitch along the surface was 2 mm). On the base of found velocities of elastic waves, local elastic moduli of shungit (Young modulus, shear modulus and Poisson's ratio) were uniquely determined.

Keywords: laser ultrasonic testing , local elastic moduli, shear wave velocity, shungit

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Authors: Majed Zobairy, Fardin Kalvandi, Kamal Azizbaigi

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This research was carried out for evaluation of elastic, plyometric and resistance training on selected anaerobic factors in men volleyball players. For these reason 30 elite volleyball players of Sanandaj city randomly divided into 3 groups as follow: elastic training, plyometric training and resistance training. Pre-exercise tests which include vertical jumping, 50 yard speed running and scat test were done and data were recorded. Specific exercise protocol regimen was done for each group and then post-exercise tests again were done. Data analysis showed that there were significant increases in exercise test in each group. One way ANOVA analysis showed that increases in speed records in elastic group were significantly higher than the other groups (p<0/05),based on research data it seems that elastic training can be a useful method and new approach in improving functional test and training regimen.

Keywords: elastic training, plyometric training, strength training, anaerobic power

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Authors: Sh. Hamada

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The current work aims to study the rainbow like-structure observed in the elastic scattering of alpha particles on both ¹²C and ¹⁶O nuclei. We reanalyzed the experimental elastic scattering angular distributions data for α+¹²C and α+¹⁶O nuclear systems at different energies using both optical model and double folding potential of different interaction models such as: CDM3Y1, DDM3Y1, CDM3Y6 and BDM3Y1. Potential created by BDM3Y1 interaction model has the shallowest depth which reflects the necessity to use higher renormalization factor (N_r). Both optical model and double folding potential of different interaction models fairly reproduce the experimental data.

Keywords: density distribution, double folding, elastic scattering, nuclear rainbow, optical model

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Authors: Mojtaba Aghamiri Esfahani, Mohammad Karkon, Seyed Majid Hosseini Nezhad, Reza Hosseini-Ara

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In this study, the effect of uncertainty in elastic modulus of a plate on free vibration response is investigated. For this purpose, the elastic modulus of the plate is modeled as stochastic variable with normal distribution. Moreover, the distance autocorrelation function is used for stochastic field. Then, by applying the finite element method and Monte Carlo simulation, stochastic finite element relations are extracted. Finally, with a numerical test, the effect of uncertainty in the elastic modulus on free vibration response of a plate is studied. The results show that the effect of uncertainty in elastic modulus of the plate cannot play an important role on the free vibration response.

Keywords: stochastic finite elements, plate bending, free vibration, Monte Carlo, Neumann expansion method.

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Authors: Bakur Gulua

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

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

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Authors: Idowu Ibikunle Albert, Atilade Adesanya Oluwafemi, Okedeyi Abiodun Sikiru, Mustapha Rilwan Adewale

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These present-day all areas of transport have experienced large advances characterized by increases in the speeds and weight of vehicles. As a result, this paper considered the Transverse Vibration of an Elastic Beam Resting on a Variable Elastic Foundation Subjected to a moving Load. The beam is presumed to be uniformly distributed and has simple support at both ends. The moving distributed moving mass is assumed to move with constant velocity. The governing equations, which are fourth-order partial differential equations, were reduced to second-order partial differential equations using an analytical method in terms of series solution and solved by a numerical method using mathematical software (Maple). Results show that an increase in the values of beam parameters, moving Mass M, and k-stiffness K, significantly reduces the deflection profile of the vibrating beam. In the results, it was equally found that moving mass is greater than moving force.

Keywords: elastic beam, moving load, response of structure, variable elastic foundation

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Authors: Danish Farooq, Janos Juhasz

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Car-motorcycle accidents have been observed higher in recent years, which caused mainly riders’ fatalities and serious injuries. In-depth crash investigation methods aim to investigate the main factors which are likely involved in fatal road accidents and injury outcomes. The main objective of this study is to investigate the involved factors in car-motorcycle accidents in Budapest city. The procedure included statistical analysis and data sampling to identify car-motorcycle accidents by dominant accident types based on collision configurations. The police report was used as a data source for specified accidents, and simulation models were plotted according to scale (M 1:200). Car-motorcycle accidents were simulated in Virtual Crash software for 5 seconds before the collision. The simulation results showed that the main involved factors to car-motorcycle accidents were human behavior and view obstructions. The comprehensive, in-depth analysis also found that most of the car drivers and riders were unable to perform collision avoidance manoeuvres before the collision. This study can help the traffic safety authorities to focus on simulated involved factors to solve road safety issues in car-motorcycle accidents. The study also proposes safety measures to improve safe movements among road users.

Keywords: car motorcycle accidents, in-depth analysis, microscopic simulation, safety measures

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Authors: Adjal Yassine, Semmani Amar

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During the last decades, The risk of collision has been increased, especially in high maritime traffic. As the consequence, the demand is required for safety at sea and environmental protection. For this purpose, the consequences prediction of ship collisions is recommended in order to minimize structural failure. additionally, at the design stage of the ship, damage generated during the collision event must be taken into consideration. This structural failure, in some cases, can develop into the progressive collapse of other structural elements and generate catastrophic consequences. The present study investigates the progressive collapse of ships damaged by collisions using the Non -linear finite element method. The failure criteria are taken into account. The impacted area has a refined mesh in order to have more reliable results. Finally, a parametric study was conducted in this study to highlight the effect of the ship's speed, as well as the different impacted areas of double-bottom ships.

Keywords: collsion, strucural failure, ship, finite element analysis

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Authors: Gitanjali Pagare, Hansa Devi, S. P. Sanyal

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Full-potential linearized augmented plane wave (FLAPW) method has been employed within the generalized gradient approximation (GGA) and local spin density approximation (LSDA) as the exchange correlation potential to investigate elastic properties of LaX (X = Cd and Hg) in their B2-type (CsCl) crystal structure. The calculated ground state properties such as lattice constant (a0), bulk modulus (B) and pressure derivative of bulk modulus (B') agree well with the available experimental results. The second order elastic constants (C11, C12 and C44) have been calculated. The ductility or brittleness of these intermetallic compounds is predicted by using Pugh’s rule B/GH and Cauchy’s pressure (C12-C44). The calculated results indicate that LaHg is the ductile whereas LaCd is brittle in nature.

Keywords: ductility/brittleness, elastic constants, equation of states, FP-LAPW method, intermetallics

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Authors: N. Lebga, Kh. Bouamama, K. Kassali

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We report first-principles calculation results on the structural and elastic properties of ZnS x Se1−x alloy for which we employed the virtual crystal approximation provided with the ABINIT program. The calculations done using density functional theory within the local density approximation and employing the virtual-crystal approximation, we made a comparative study between the numerical results obtained from ab-initio calculation using ABINIT or Wien2k within the Density Functional Theory framework with either Local Density Approximation or Generalized Gradient approximation and the pseudo-potential plane-wave method with the Hartwigzen Goedecker Hutter scheme potentials. It is found that the lattice parameter, the phase transition pressure, and the elastic constants (and their derivative with respect to the pressure) follow a quadratic law in x. The variation of the elastic constants is also numerically studied and the phase transformations are discussed in relation to the mechanical stability criteria.

Keywords: density functional theory, elastic properties, ZnS, ZnSe,

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Authors: Abdennour Benmakhlouf, Abdelouahab Bentabet

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In this paper, we investigated the athermal pressure behavior of the structural and elastic properties of scheelite BaWO4 phase up to 7 GPa using the ab initio pseudo-potential method. The calculated lattice parameters pressure relation have been compared with the experimental values and found to be in good agreement with these results. Moreover, we present for the first time the investigation of the elastic properties of this compound using the density functional perturbation theory (DFPT). It is shown that this phase is mechanically stable up to 7 GPa after analyzing the calculated elastic constants. Other relevant quantities such as bulk modulus, pressure derivative of bulk modulus, shear modulus; Young’s modulus, Poisson’s ratio, anisotropy factors, Debye temperature and sound velocity have been calculated. The obtained results, which are reported for the first time to the best of the author’s knowledge, can facilitate assessment of possible applications of the title material.

Keywords: pseudo-potential method, pressure, structural and elastic properties, scheelite BaWO4 phase

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