Search results for: elastic scattering of protons on 10B nuclei
973 Iterative Solver for Solving Large-Scale Frictional Contact Problems
Authors: Thierno Diop, Michel Fortin, Jean Deteix
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Since the precise formulation of the elastic part is irrelevant for the description of the algorithm, we shall consider a generic case. In practice, however, we will have to deal with a non linear material (for instance a Mooney-Rivlin model). We are interested in solving a finite element approximation of the problem, leading to large-scale non linear discrete problems and, after linearization, to large linear systems and ultimately to calculations needing iterative methods. This also implies that penalty method, and therefore augmented Lagrangian method, are to be banned because of their negative effect on the condition number of the underlying discrete systems and thus on the convergence of iterative methods. This is in rupture to the mainstream of methods for contact in which augmented Lagrangian is the principal tool. We shall first present the problem and its discretization; this will lead us to describe a general solution algorithm relying on a preconditioner for saddle-point problems which we shall describe in some detail as it is not entirely standard. We will propose an iterative approach for solving three-dimensional frictional contact problems between elastic bodies, including contact with a rigid body, contact between two or more bodies and also self-contact.Keywords: frictional contact, three-dimensional, large-scale, iterative method
Procedia PDF Downloads 209972 Non-linear Model of Elasticity of Compressive Strength of Concrete
Authors: Charles Horace Ampong
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Non-linear models have been found to be useful in modeling the elasticity (measure of degree of responsiveness) of a dependent variable with respect to a set of independent variables ceteris paribus. This constant elasticity principle was applied to the dependent variable (Compressive Strength of Concrete in MPa) which was found to be non-linearly related to the independent variable (Water-Cement ratio in kg/m3) for given Ages of Concrete in days (3, 7, 28) at different levels of admixtures Superplasticizer (in kg/m3), Blast Furnace Slag (in kg/m3) and Fly Ash (in kg/m3). The levels of the admixtures were categorized as: S1=Some Plasticizer added & S0=No Plasticizer added; B1=some Blast Furnace Slag added & B0=No Blast Furnace Slag added; F1=Some Fly Ash added & F0=No Fly Ash added. The number of observations (samples) used for the research was one-hundred and thirty-two (132) in all. For Superplasticizer, it was found that Compressive Strength of Concrete was more elastic with regards to Water-Cement ratio at S1 level than at S0 level for the given ages of concrete 3, 7and 28 days. For Blast Furnace Slag, Compressive Strength with regards to Water-Cement ratio was more elastic at B0 level than at B1 level for concrete ages 3, 7 and 28 days. For Fly Ash, Compressive Strength with regards to Water-Cement ratio was more elastic at B0 level than at B1 level for Ages 3, 7 and 28 days. The research also tested for different combinations of the levels of Superplasticizer, Blast Furnace Slag and Fly Ash. It was found that Compressive Strength elasticity with regards to Water-Cement ratio was lowest (Elasticity=-1.746) with a combination of S0, B0 and F0 for concrete age of 3 days. This was followed by Elasticity of -1.611 with a combination of S0, B0 and F0 for a concrete of age 7 days. Next, the highest was an Elasticity of -1.414 with combination of S0, B0 and F0 for a concrete age of 28 days. Based on preceding outcomes, three (3) non-linear model equations for predicting the output elasticity of Compressive Strength of Concrete (in %) or the value of Compressive Strength of Concrete (in MPa) with regards to Water to Cement was formulated. The model equations were based on the three different ages of concrete namely 3, 7 and 28 days under investigation. The three models showed that higher elasticity translates into higher compressive strength. And the models revealed a trend of increasing concrete strength from 3 to 28 days for a given amount of water to cement ratio. Using the models, an increasing modulus of elasticity from 3 to 28 days was deduced.Keywords: concrete, compressive strength, elasticity, water-cement
Procedia PDF Downloads 291971 Concept of a Pseudo-Lower Bound Solution for Reinforced Concrete Slabs
Authors: M. De Filippo, J. S. Kuang
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In construction industry, reinforced concrete (RC) slabs represent fundamental elements of buildings and bridges. Different methods are available for analysing the structural behaviour of slabs. In the early ages of last century, the yield-line method has been proposed to attempt to solve such problem. Simple geometry problems could easily be solved by using traditional hand analyses which include plasticity theories. Nowadays, advanced finite element (FE) analyses have mainly found their way into applications of many engineering fields due to the wide range of geometries to which they can be applied. In such cases, the application of an elastic or a plastic constitutive model would completely change the approach of the analysis itself. Elastic methods are popular due to their easy applicability to automated computations. However, elastic analyses are limited since they do not consider any aspect of the material behaviour beyond its yield limit, which turns to be an essential aspect of RC structural performance. Furthermore, their applicability to non-linear analysis for modeling plastic behaviour gives very reliable results. Per contra, this type of analysis is computationally quite expensive, i.e. not well suited for solving daily engineering problems. In the past years, many researchers have worked on filling this gap between easy-to-implement elastic methods and computationally complex plastic analyses. This paper aims at proposing a numerical procedure, through which a pseudo-lower bound solution, not violating the yield criterion, is achieved. The advantages of moment distribution are taken into account, hence the increase in strength provided by plastic behaviour is considered. The lower bound solution is improved by detecting over-yielded moments, which are used to artificially rule the moment distribution among the rest of the non-yielded elements. The proposed technique obeys Nielsen’s yield criterion. The outcome of this analysis provides a simple, yet accurate, and non-time-consuming tool of predicting the lower-bound solution of the collapse load of RC slabs. By using this method, structural engineers can find the fracture patterns and ultimate load bearing capacity. The collapse triggering mechanism is found by detecting yield-lines. An application to the simple case of a square clamped slab is shown, and a good match was found with the exact values of collapse load.Keywords: computational mechanics, lower bound method, reinforced concrete slabs, yield-line
Procedia PDF Downloads 177970 Ground States of Structure of Even ¹⁰⁴-¹⁰⁶ Ru Isotopes
Authors: I. Hossain, Huda H. Kassim, Fadhil I. Sharrad, Said A. Mansour
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In this conference, we apply the interacting boson model-1 (IBM-1) formula for U(5) symmetry in order to calculate the energy levels and reduced transition probabilities for a few yrast transitions in Ru with neutron N=60, 62. The neutron rich even-even isotopes of Ru are very interesting to investigate using IBM-1, because even 104,106Ru isotopes are great consequence due to excited near the magic number 50. The calculation of ground state band and B(E2) values using IBM-1 for Z=44 are not calculated to describe the valuable information of nuclear structure by U(5) limit. The parameters in the formula are deduced based on the experimental energy level and value of B(E2, 2+->0+). The yrast states and transition strength B(E2) from 1st 4+ to 1st 2+, 1st 6+ to 1st 4+ and 1st 8+ to 1st 6+ states of Ru for even N= 60, 62 were calculated. The quadrupole moments, deformation parameters and U(5) limit were discussed for those nuclei.Keywords: B(E2), energy level, ¹⁰⁴Ru, ¹⁰⁶Ru
Procedia PDF Downloads 347969 Modeling of Particle Reduction and Volatile Compounds Profile during Chocolate Conching by Electronic Nose and Genetic Programming (GP) Based System
Authors: Juzhong Tan, William Kerr
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Conching is one critical procedure in chocolate processing, where special flavors are developed, and smooth mouse feel the texture of the chocolate is developed due to particle size reduction of cocoa mass and other additives. Therefore, determination of the particle size and volatile compounds profile of cocoa bean is important for chocolate manufacturers to ensure the quality of chocolate products. Currently, precise particle size measurement is usually done by laser scattering which is expensive and inaccessible to small/medium size chocolate manufacturers. Also, some other alternatives, such as micrometer and microscopy, can’t provide good measurements and provide little information. Volatile compounds analysis of cocoa during conching, has similar problems due to its high cost and limited accessibility. In this study, a self-made electronic nose system consists of gas sensors (TGS 800 and 2000 series) was inserted to a conching machine and was used to monitoring the volatile compound profile of chocolate during the conching. A model correlated volatile compounds profiles along with factors including the content of cocoa, sugar, and the temperature during the conching to particle size of chocolate particles by genetic programming was established. The model was used to predict the particle size reduction of chocolates with different cocoa mass to sugar ratio (1:2, 1:1, 1.5:1, 2:1) at 8 conching time (15min, 30min, 1h, 1.5h, 2h, 4h, 8h, and 24h). And the predictions were compared to laser scattering measurements of the same chocolate samples. 91.3% of the predictions were within the range of later scatting measurement ± 5% deviation. 99.3% were within the range of later scatting measurement ± 10% deviation.Keywords: cocoa bean, conching, electronic nose, genetic programming
Procedia PDF Downloads 253968 Micromechanism of Ionization Effects on Metal/Gas Mixing Instabilty at Extreme Shock Compressing Conditions
Authors: Shenghong Huang, Weirong Wang, Xisheng Luo, Xinzhu Li, Xinwen Zhao
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Understanding of material mixing induced by Richtmyer-Meshkov instability (RMI) at extreme shock compressing conditions (high energy density environment: P >> 100GPa, T >> 10000k) is of great significance in engineering and science, such as inertial confinement fusion(ICF), supersonic combustion, etc. Turbulent mixing induced by RMI is a kind of complex fluid dynamics, which is closely related with hydrodynamic conditions, thermodynamic states, material physical properties such as compressibility, strength, surface tension and viscosity, etc. as well as initial perturbation on interface. For phenomena in ordinary thermodynamic conditions (low energy density environment), many investigations have been conducted and many progresses have been reported, while for mixing in extreme thermodynamic conditions, the evolution may be very different due to ionization as well as large difference of material physical properties, which is full of scientific problems and academic interests. In this investigation, the first principle based molecular dynamic method is applied to study metal Lithium and gas Hydrogen (Li-H2) interface mixing in micro/meso scale regime at different shock compressing loading speed ranging from 3 km/s to 30 km/s. It's found that, 1) Different from low-speed shock compressing cases, in high-speed shock compresing (>9km/s) cases, a strong acceleration of metal/gas interface after strong shock compression is observed numerically, leading to a strong phase inverse and spike growing with a relative larger linear rate. And more specially, the spike growing rate is observed to be increased with shock loading speed, presenting large discrepancy with available empirical RMI models; 2) Ionization is happened in shock font zone at high-speed loading cases(>9km/s). An additional local electric field induced by the inhomogeneous diffusion of electrons and nuclei after shock font is observed to occur near the metal/gas interface, leading to a large acceleration of nuclei in this zone; 3) In conclusion, the work of additional electric field contributes to a mechanism of RMI in micro/meso scale regime at extreme shock compressing conditions, i.e., a Rayleigh-Taylor instability(RTI) is induced by additional electric field during RMI mixing process and thus a larger linear growing rate of interface spike.Keywords: ionization, micro/meso scale, material mixing, shock
Procedia PDF Downloads 224967 Relative Study of the Effect of the Temperature Gradient on Free Vibrations of Clamped Visco-Elastic Rectangular Plates with Linearly and Exponentially Thickness Variations Respectively in Two Directions
Authors: Harvinder Kaur
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Rayleigh–Ritz method is a broadly used classical method for the calculation of the natural vibration frequency of a structure in the second or higher order. Here it is used to construct a mathematical model of relative study of the thermal effect on free transverse vibrations of clamped (c-c-c-c type) visco-elastic rectangular plate with linearly and exponentially thickness variations respectively in two directions. Researchers in the field of Engineering always make an effort for better designs of mechanical structures. In-depth study of the vibration behavior of tapered plates with diverse thickness variation under high temperature would ultimately help to finalize the accurate design of a structure. The perfect tapered structure saves weight and as well as expenses. In the present paper, the comparison has been done for deflection and time period corresponding to the first two modes of vibrations of clamped plate for various values of aspect ratio, thermal constants, and taper constants of both the cases.Keywords: Rayleigh-Ritz Method, tapered plates, transverse vibration, thermal constant, visco-elasticity
Procedia PDF Downloads 228966 On Cold Roll Bonding of Polymeric Films
Authors: Nikhil Padhye
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Recently a new phenomenon for bonding of polymeric films in solid-state, at ambient temperatures well below the glass transition temperature of the polymer, has been reported. This is achieved by bulk plastic compression of polymeric films held in contact. Here we analyze the process of cold-rolling of polymeric films via finite element simulations and illustrate a flexible and modular experimental rolling-apparatus that can achieve bonding of polymeric films through cold-rolling. Firstly, the classical theory of rolling a rigid-plastic thin-strip is utilized to estimate various deformation fields such as strain-rates, velocities, loads etc. in rolling the polymeric films at the specified feed-rates and desired levels of thickness-reduction(s). Predicted magnitudes of slow strain-rates, particularly at ambient temperatures during rolling, and moderate levels of plastic deformation (at which Bauschinger effect can be neglected for the particular class of polymeric materials studied here), greatly simplifies the task of material modeling and allows us to deploy a computationally efficient, yet accurate, finite deformation rate-independent elastic-plastic material behavior model (with inclusion of isotropic-hardening) for analyzing the rolling of these polymeric films. The interfacial behavior between the roller and polymer surfaces is modeled using Coulombic friction; consistent with the rate-independent behavior. The finite deformation elastic-plastic material behavior based on (i) the additive decomposition of stretching tensor (D = De + Dp, i.e. a hypoelastic formulation) with incrementally objective time integration and, (ii) multiplicative decomposition of deformation gradient (F = FeFp) into elastic and plastic parts, are programmed and carried out for cold-rolling within ABAQUS Explicit. Predictions from both the formulations, i.e., hypoelastic and multiplicative decomposition, exhibit a close match. We find that no specialized hyperlastic/visco-plastic model is required to describe the behavior of the blend of polymeric films, under the conditions described here, thereby speeding up the computation process .Keywords: Polymer Plasticity, Bonding, Deformation Induced Mobility, Rolling
Procedia PDF Downloads 189965 Theoretical Method for Full Ab-Initio Calculation of Rhenium Carbide Compound
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First principles calculations are carried out to investigate the structural, electronic, and elastic properties of the utraincompressible materials, namely, noble metal carbide of Rhenium carbide (ReC) in four phases, the rocksalt (NaCl-B1), zinc blende (ZB-B2), the tungsten carbide(Bh) (WC), and the nickel arsenide (NiAs-B8).The ground state properties such as the equilibrium lattice constant, elastic constants, the bulk modulus its pressure derivate, and the hardness of ReC in these phases are systematically predicted by calculations from first–principles. The corresponding calculated bulk modulus is comparable with that of diamond, especially for the B8 –type rhenium carbide (ReC), the incompressibility along the c axis is demonstrated to exceed the linear incompressibility of diamond. Our calculations confirm in the nickel arsenide (B8) structure the ReC is found to be stable with a large bulk modulus B=440 GPa and the tungsten carbide (WC) structure becomes the most more favourable with to respect B3 and B1 structures, which ReC- WC is meta-stable. Furthermore, the highest bulk modulus values in the zinc blende (B3), rock salt (B1), tungsten carbide (WC), and the nickel arsenide (B8) structures (294GPa, 401GPa, 415GPa and 447 GPa, respectively) indicates that ReC is a hard material, and is superhard compound H(B8)= 36 GPa compared with the H(diamond)=96 GPa and H(c BN)=63.10 GPa.Keywords: DFT, FP-LMTO, mechanical properties, elasticity, high pressure, thermodynamic properties, hard material
Procedia PDF Downloads 440964 Effect of Rolling Shear Modulus and Geometric Make up on the Out-Of-Plane Bending Performance of Cross-Laminated Timber Panel
Authors: Md Tanvir Rahman, Mahbube Subhani, Mahmud Ashraf, Paul Kremer
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Cross-laminated timber (CLT) is made from layers of timber boards orthogonally oriented in the thickness direction, and due to this, CLT can withstand bi-axial bending in contrast with most other engineered wood products such as laminated veneer lumber (LVL) and glued laminated timber (GLT). Wood is cylindrically anisotropic in nature and is characterized by significantly lower elastic modulus and shear modulus in the planes perpendicular to the fibre direction, and is therefore classified as orthotropic material and is thus characterized by 9 elastic constants which are three elastic modulus in longitudinal direction, tangential direction and radial direction, three shear modulus in longitudinal tangential plane, longitudinal radial plane and radial tangential plane and three Poisson’s ratio. For simplification, timber materials are generally assumed to be transversely isotropic, reducing the number of elastic properties characterizing it to 5, where the longitudinal plane and radial planes are assumed to be planes of symmetry. The validity of this assumption was investigated through numerical modelling of CLT with both orthotropic mechanical properties and transversely isotropic material properties for three softwood species, which are Norway spruce, Douglas fir, Radiata pine, and three hardwood species, namely Victorian ash, Beech wood, and Aspen subjected to uniformly distributed loading under simply supported boundary condition. It was concluded that assuming the timber to be transversely isotropic results in a negligible error in the order of 1 percent. It was also observed that along with longitudinal elastic modulus, ratio of longitudinal shear modulus (GL) and rolling shear modulus (GR) has a significant effect on a deflection for CLT panels of lower span to depth ratio. For softwoods such as Norway spruce and Radiata pine, the ratio of longitudinal shear modulus, GL to rolling shear modulus GR is reported to be in the order of 12 to 15 times in literature. This results in shear flexibility in transverse layers leading to increased deflection under out-of-plane loading. The rolling shear modulus of hardwoods has been found to be significantly higher than those of softwoods, where the ratio between longitudinal shear modulus to rolling shear modulus as low as 4. This has resulted in a significant rise in research into the manufacturing of CLT from entirely from hardwood, as well as from a combination of softwood and hardwoods. The commonly used beam theory to analyze the performance of CLT panels under out-of-plane loads are the Shear analogy method, Gamma method, and k-method. The shear analogy method has been found to be the most effective method where shear deformation is significant. The effect of the ratio of longitudinal shear modulus and rolling shear modulus of cross-layer on the deflection of CLT under uniformly distributed load with respect to its length to depth ratio was investigated using shear analogy method. It was observed that shear deflection is reduced significantly as the ratio of the shear modulus of the longitudinal layer and rolling shear modulus of cross-layer decreases. This indicates that there is significant room for improvement of the bending performance of CLT through developing hybrid CLT from a mix of softwood and hardwood.Keywords: rolling shear modulus, shear deflection, ratio of shear modulus and rolling shear modulus, timber
Procedia PDF Downloads 125963 Impact of Unusual Dust Event on Regional Climate in India
Authors: Kanika Taneja, V. K. Soni, Kafeel Ahmad, Shamshad Ahmad
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A severe dust storm generated from a western disturbance over north Pakistan and adjoining Afghanistan affected the north-west region of India between May 28 and 31, 2014, resulting in significant reductions in air quality and visibility. The air quality of the affected region degraded drastically. PM10 concentration peaked at a very high value of around 1018 μgm-3 during dust storm hours of May 30, 2014 at New Delhi. The present study depicts aerosol optical properties monitored during the dust days using ground based multi-wavelength Sky radiometer over the National Capital Region of India. High Aerosol Optical Depth (AOD) at 500 nm was observed as 1.356 ± 0.19 at New Delhi while Angstrom exponent (Alpha) dropped to 0.287 on May 30, 2014. The variation in the Single Scattering Albedo (SSA) and real n(λ) and imaginary k(λ) parts of the refractive index indicated that the dust event influences the optical state to be more absorbing. The single scattering albedo, refractive index, volume size distribution and asymmetry parameter (ASY) values suggested that dust aerosols were predominant over the anthropogenic aerosols in the urban environment of New Delhi. The large reduction in the radiative flux at the surface level caused significant cooling at the surface. Direct Aerosol Radiative Forcing (DARF) was calculated using a radiative transfer model during the dust period. A consistent increase in surface cooling was evident, ranging from -31 Wm-2 to -82 Wm-2 and an increase in heating of the atmosphere from 15 Wm-2 to 92 Wm-2 and -2 Wm-2 to 10 Wm-2 at top of the atmosphere.Keywords: aerosol optical properties, dust storm, radiative transfer model, sky radiometer
Procedia PDF Downloads 375962 Response of Pavement under Temperature and Vehicle Coupled Loading
Authors: Yang Zhong, Mei-Jie Xu
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To study the dynamic mechanics response of asphalt pavement under the temperature load and vehicle loading, asphalt pavement was regarded as multilayered elastic half-space system, and theory analysis was conducted by regarding dynamic modulus of asphalt mixture as the parameter. Firstly, based on the dynamic modulus test of asphalt mixture, function relationship between the dynamic modulus of representative asphalt mixture and temperature was obtained. In addition, the analytical solution for thermal stress in the single layer was derived by using Laplace integral transformation and Hankel integral transformation respectively by using thermal equations of equilibrium. The analytical solution of calculation model of thermal stress in asphalt pavement was derived by transfer matrix of thermal stress in multilayer elastic system. Finally, the variation of thermal stress in pavement structure was analyzed. The result shows that there is an obvious difference between the thermal stress based on dynamic modulus and the solution based on static modulus. Therefore, the dynamic change of parameter in asphalt mixture should be taken into consideration when the theoretical analysis is taken out.Keywords: asphalt pavement, dynamic modulus, integral transformation, transfer matrix, thermal stress
Procedia PDF Downloads 500961 Development of Boro-Tellurite Glasses Enhanced with HfO2 for Radiation Shielding: Examination of Optical and Physical Characteristics
Authors: Sleman Yahya Rasul
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Due to their transparency, various types of glass are utilized in numerous applications where clear visibility is essential. One such application involves environments where radiography, radiotherapy, and X-ray devices are used, all of which involve exposure to radiation. As is well-known, radiation can be lethal to humans. Consequently, there is a need for glass that can absorb and block these harmful rays in such settings. Effective protection from radiation typically requires materials with high atomic numbers and densities. Currently, lead oxide-infused glasses are commonly used for this purpose, but due to the toxicity of lead oxide, there is a demand for safer alternatives. HfO2 has been selected as an additive for boro-tellurite (M1-M2-M3) glasses intended for radiation shielding because it has a high atomic number, high density, and is non-toxic. In this study, new glasses will be developed as alternatives to leaded glasses by incorporating x mol% HfO2 into the boro-tellurite glass structure. The glass compositions will be melted and quenched using the traditional method in an alumina crucible at temperatures between 900–1100°C. The resulting glasses will be evaluated for their elastic properties (including elastic modulus, shear modulus, bulk modulus, and Poisson ratio), density, hardness, and fracture toughness. X-ray diffraction (XRD) will be used to examine the amorphous nature of the glasses, while Differential Thermal Analysis (DTA) will provide thermal analysis. Optical properties will be assessed through UV-Vis and Photoluminescence Spectroscopy, and structural properties will be studied using Raman spectroscopy and FTIR spectroscopy. Additionally, the radiation shielding capabilities will be investigated by measuring parameters such as mass attenuation coefficient, half-value thickness, mean free path, effective atomic number (Z_eff), and effective electron density (N_e). The aim of this study is to develop new, lead-free glasses with excellent optical properties and high mechanical strength to replace the leaded glasses currently used for radiation shielding.Keywords: boro-tellurite glasses, hfo2, radiation shielding, mechanical properties, elastic properties, optical properties
Procedia PDF Downloads 41960 Subsurface Elastic Properties Determination for Site Characterization Using Seismic Refraction Tomography at the Pwalugu Dam Area
Authors: Van-Dycke Sarpong Asare, Vincent Adongo
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Field measurement of subsurface seismic p-wave velocities was undertaken through seismic refraction tomography. The aim of this work is to obtain a model of the shallow subsurface material elastic properties relevant for geotechnical site characterization. The survey area is at Pwalugu in Northern Ghana, where a multipurpose dam, for electricity generation, irrigation, and potable water delivery, is being planned. A 24-channel seismograph and 24, 10 Hz electromagnetic geophones, deployed 5 m apart constituted the acquisition hardware. Eleven (2-D) seismic refraction profiles, nine of which ran almost perpendicular and two parallel to the White Volta at Pwalugu, were acquired. The refraction tomograms of the thirteen profiles revealed a subsurface model consisting of one minor and one major acoustic impedance boundaries – the top dry/loose sand and the variably weathered sandstone contact, and the overburden-sandstones bedrock contact respectively. The p-wave velocities and by inference, with a priori values of poison ratios, the s-wave velocities, assisted in characterizing the geotechnical conditions of the proposed site and also in evaluating the dynamic properties such as the maximum shear modulus, the bulk modulus, and the Young modulus.Keywords: tomography, characterization, consolidated, Pwalugu and seismograph
Procedia PDF Downloads 124959 Sparse Modelling of Cancer Patients’ Survival Based on Genomic Copy Number Alterations
Authors: Khaled M. Alqahtani
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Copy number alterations (CNA) are variations in the structure of the genome, where certain regions deviate from the typical two chromosomal copies. These alterations are pivotal in understanding tumor progression and are indicative of patients' survival outcomes. However, effectively modeling patients' survival based on their genomic CNA profiles while identifying relevant genomic regions remains a statistical challenge. Various methods, such as the Cox proportional hazard (PH) model with ridge, lasso, or elastic net penalties, have been proposed but often overlook the inherent dependencies between genomic regions, leading to results that are hard to interpret. In this study, we enhance the elastic net penalty by incorporating an additional penalty that accounts for these dependencies. This approach yields smooth parameter estimates and facilitates variable selection, resulting in a sparse solution. Our findings demonstrate that this method outperforms other models in predicting survival outcomes, as evidenced by our simulation study. Moreover, it allows for a more meaningful interpretation of genomic regions associated with patients' survival. We demonstrate the efficacy of our approach using both real data from a lung cancer cohort and simulated datasets.Keywords: copy number alterations, cox proportional hazard, lung cancer, regression, sparse solution
Procedia PDF Downloads 44958 Modified Plastic-Damage Model for FRP-Confined Repaired Concrete Columns
Authors: I. A Tijani, Y. F Wu, C.W. Lim
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Concrete Damaged Plasticity Model (CDPM) is capable of modeling the stress-strain behavior of confined concrete. Nevertheless, the accuracy of the model largely depends on its parameters. To date, most research works mainly focus on the identification and modification of the parameters for fiber reinforced polymer (FRP) confined concrete prior to damage. And, it has been established that the FRP-strengthened concrete behaves differently to FRP-repaired concrete. This paper presents a modified plastic damage model within the context of the CDPM in ABAQUS for modelling of a uniformly FRP-confined repaired concrete under monotonic loading. The proposed model includes infliction damage, elastic stiffness, yield criterion and strain hardening rule. The distinct feature of damaged concrete is elastic stiffness reduction; this is included in the model. Meanwhile, the test results were obtained from a physical testing of repaired concrete. The dilation model is expressed as a function of the lateral stiffness of the FRP-jacket. The finite element predictions are shown to be in close agreement with the obtained test results of the repaired concrete. It was observed from the study that with necessary modifications, finite element method is capable of modeling FRP-repaired concrete structures.Keywords: Concrete, FRP, Damage, Repairing, Plasticity, and Finite element method
Procedia PDF Downloads 134957 Natural Interaction Game-Based Learning of Elasticity with Kinect
Authors: Maryam Savari, Mohamad Nizam Ayub, Ainuddin Wahid Abdul Wahab
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Game-based Learning (GBL) is an alternative that provides learners with an opportunity to experience a volatile environment in a safe and secure place. A volatile environment requires a different technique to facilitate learning and prevent injury and other hazards. Subjects involving elasticity are always considered hazardous and can cause injuries,for instance a bouncing ball. Elasticity is a topic that necessitates hands-on practicality for learners to experience the effects of elastic objects. In this paper the scope is to investigate the natural interaction between learners and elastic objects in a safe environment using GBL. During interaction, the potentials of natural contact in the process of learning were explored and gestures exhibited during the learning process were identified. GBL was developed using Kinect technology to teach elasticity to primary school children aged 7 to 12. The system detects body gestures and defines the meanings of motions exhibited during the learning process. The qualitative approach was deployed to constantly monitor the interaction between the student and the system. Based on the results, it was found that Natural Interaction GBL (Ni-GBL) is engaging for students to learn, making their learning experience more active and joyful.Keywords: elasticity, Game-Based Learning (GBL), kinect technology, natural interaction
Procedia PDF Downloads 482956 Isolation and Structural Elucidation of 20 Hydroxyecdystone from Vitex doniana Sweet Stem Bark
Authors: Mustapha A. Tijjani, Fanna I. Abdulrahman, Irfan Z. Khan, Umar K. Sandabe, Cong Li
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Air dried sample V. doniana after collection and identification was extracted with ethanol and further partition with chloroform, ethyl acetate and n-butanol. Ethanolic extract (11.9g) was fractionated on a silica gel accelerated column chromatography using solvents such as n-hexane, ethyl acetate and methanol. Each eluent fractions (150ml aliquots) were collected and monitored with thin layer chromatography. Fractions with similar Rf values from same solvents system were pooled together. Phytochemical test of all the fractions were performed using standard procedure. Complete elution yielded 48 fractions (150ml/fraction) which were pooled to 24 fractions base on the Rf values. It was further recombined and 12 fractions were obtained on the basis on Rf values and coded Vd1 to Vd12 fractions. Vd8 was further eluted with ethylacetate and methanol and gave fourteen sub fractions Vd8-a, -Vd8-m. Fraction Vd8-a (56mg) gave a white crystal compound coded V1. It was further checked on TLC and observed under ultraviolet lamp and was found to give a single spot. The Rf values were calculated to be 0.433. The melting point was determined using Gallenkamp capillary melting point apparatus and found to be 241-243°C uncorrected. Characterization of the isolated compound coded V1 was done using FT-infra-red spectroscopy, HNMR, 13CNMR(1and 2D) and HRESI-MS. The IR spectrum of compound V1 shows prominent peaks that corresponds to OHstr (3365cm-1) and C=0 (1652cm-1) etc. This spectrum suggests that among the functional moiety in compound V1 are the carbonyl and hydroxyl group. The 1H NMR (400 MHz) spectrum of compound V1 in DMSO-d6 displayed five singlet signals at δ 0.72 (3H, s, H-18), 0.79 (3H, s, H-19), 1.03 (3H, s, H-21), 1.04 (3H, s, H-26), 1.06 (3H, s, H-27) each integrating for three protons indicating the five methyl functional groups present in the compound. It further showed a broad singlet at δ 5.58 integrated for 1 H due to an olefinic H-atom adjacent to the carbonyl carbon atom. Three signals at δ 3.10 (d, J = 9.0 Hz, H-22), 3.59 (m, 1H, 2H-a) and 3.72 (m, 1H, 3H-e), each integrating for one proton is due to oxymethine protons indicating that three oxymethine H-atoms are present in the compound. These all signals are characteristic to the ecdysteroid skeletons. The 13C-NMR spectrum showed the presence of 27 carbon atoms, suggesting that may be steroid skeleton. The DEPT-135 experiment showed the presence of five CH3, eight CH2, and seven CH groups, and seven quaternary C-atoms. The molecular formula was established as C27H44O7 by high resolution electron spray ionization-mass spectroscopy (HRESI-MS) positive ion mode m/z 481.3179. The signals in mass spectrum are 463, 445, and 427 peaks corresponding to losses of one, two, three, or four water molecules characteristic for ecdysterone skeleton reported in the literature. Based on the spectral analysis (HNMR, 13CNMR, DEPT, HMQC, IR, HRESI-MS) the compound V1 is thus concluded to have ecdysteriod skeleton and conclusively conforms with 2β, 3β 14α, 20R, 22R, 25-hexahydroxy-5 β cholest-7-ene-6- one, or 2, 3, 14, 20, 22, 25 hexahydroxy cholest-7-ene-6-one commonly known as 20-hydroxyecdysone.Keywords: vitex, phytochemical, purification, isolation, chromatography, spectroscopy
Procedia PDF Downloads 354955 Constitutive Modeling of Different Types of Concrete under Uniaxial Compression
Authors: Mostafa Jafarian Abyaneh, Khashayar Jafari, Vahab Toufigh
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The cost of experiments on different types of concrete has raised the demand for prediction of their behavior with numerical analysis. In this research, an advanced numerical model has been presented to predict the complete elastic-plastic behavior of polymer concrete (PC), high-strength concrete (HSC), high performance concrete (HPC) along with different steel fiber contents under uniaxial compression. The accuracy of the numerical response was satisfactory as compared to other conventional simple models such as Mohr-Coulomb and Drucker-Prager. In order to predict the complete elastic-plastic behavior of specimens including softening behavior, disturbed state concept (DSC) was implemented by nonlinear finite element analysis (NFEA) and hierarchical single surface (HISS) failure criterion, which is a failure surface without any singularity.Keywords: disturbed state concept (DSC), hierarchical single surface (HISS) failure criterion, high performance concrete (HPC), high-strength concrete (HSC), nonlinear finite element analysis (NFEA), polymer concrete (PC), steel fibers, uniaxial compression test
Procedia PDF Downloads 310954 A Study on Accident Result Contribution of Individual Major Variables Using Multi-Body System of Accident Reconstruction Program
Authors: Donghun Jeong, Somyoung Shin, Yeoil Yun
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A large-scale traffic accident refers to an accident in which more than three people die or more than thirty people are dead or injured. In order to prevent a large-scale traffic accident from causing a big loss of lives or establish effective improvement measures, it is important to analyze accident situations in-depth and understand the effects of major accident variables on an accident. This study aims to analyze the contribution of individual accident variables to accident results, based on the accurate reconstruction of traffic accidents using PC-Crash’s Multi-Body, which is an accident reconstruction program, and simulation of each scenario. Multi-Body system of PC-Crash accident reconstruction program is used for multi-body accident reconstruction that shows motions in diverse directions that were not approached previously. MB System is to design and reproduce a form of body, which shows realistic motions, using several bodies. Targeting the 'freight truck cargo drop accident around the Changwon Tunnel' that happened in November 2017, this study conducted a simulation of the freight truck cargo drop accident and analyzed the contribution of individual accident majors. Then on the basis of the driving speed, cargo load, and stacking method, six scenarios were devised. The simulation analysis result displayed that the freight car was driven at a speed of 118km/h(speed limit: 70km/h) right before the accident, carried 196 oil containers with a weight of 7,880kg (maximum load: 4,600kg) and was not fully equipped with anchoring equipment that could prevent a drop of cargo. The vehicle speed, cargo load, and cargo anchoring equipment were major accident variables, and the accident contribution analysis results of individual variables are as follows. When the freight car only obeyed the speed limit, the scattering distance of oil containers decreased by 15%, and the number of dropped oil containers decreased by 39%. When the freight car only obeyed the cargo load, the scattering distance of oil containers decreased by 5%, and the number of dropped oil containers decreased by 34%. When the freight car obeyed both the speed limit and cargo load, the scattering distance of oil containers fell by 38%, and the number of dropped oil containers fell by 64%. The analysis result of each scenario revealed that the overspeed and excessive cargo load of the freight car contributed to the dispersion of accident damage; in the case of a truck, which did not allow a fall of cargo, there was a different type of accident when driven too fast and carrying excessive cargo load, and when the freight car obeyed the speed limit and cargo load, there was the lowest possibility of causing an accident.Keywords: accident reconstruction, large-scale traffic accident, PC-Crash, MB system
Procedia PDF Downloads 198953 Non-Linear Free Vibration Analysis of Laminated Composite Beams Resting on Non-Linear Pasternak Elastic Foundation: A Homogenization Procedure
Authors: Merrimi El Bekkaye, El Bikri Khalid, Benamar Rhali
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In the present paper, the problem of geometrically non-linear free vibration of symmetrically and asymmetrically laminated composite beams (LCB) resting on nonlinear Pasternak elastic Foundation with immovable ends is studied. A homogenization procedure has been performed to reduce the problem under consideration to that of the isotropic homogeneous beams with effective bending stiffness and axial stiffness parameters. This simple formulation is developed using the governing axial equation of the beam in which the axial inertia and damping are ignored. The theoretical model is based on Hamilton’s principle and spectral analysis. Iterative form solutions are presented to calculate the fundamental nonlinear frequency parameters which are found to be in a good agreement with the published results. On the other hand, the influence of the foundation parameters on the nonlinear frequency to the linear frequency ratio of the LCB has been studied. The non-dimensional curvatures associated to the fundamental mode are also given in the case of clamped-clamped symmetrically and asymmetrically laminated composite beams.Keywords: large vibration amplitudes, laminated composite beam, Pasternak foundation, composite beams
Procedia PDF Downloads 528952 Cellulose Acetate/Polyacrylic Acid Filled with Nano-Hydroxapatite Composites: Spectroscopic Studies and Search for Biomedical Applications
Authors: E. M. AbdelRazek, G. S. ElBahy, M. A. Allam, A. M. Abdelghany, A. M. Hezma
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Polymeric biocomposite of hydroxyapatite/polyacrylic acid were prepared and their thermal and mechanical properties were improved by addition of cellulose acetate. FTIR spectroscopy technique and X-ray diffraction analysis were employed to examine the physical and chemical characteristics of the biocomposites. Scanning electron microscopy shows a uniform distribution of HAp nano-particles through the polymeric matrix of two organic/inorganic composites weight ratios (60/40 and 70/30), at which the material crystallinity reaches a considerable value appropriate for the needed applications were studied and revealed that the HAp nano-particles are uniformly distributed in the polymeric matrix. Kinetic parameters were determined from the weight loss data using non isothermal thermogravimetric analysis (TGA). Also, the main degradation steps were described and discussed. The mechanical properties of composites were evaluated by measuring tensile strength and elastic modulus. The data indicate that the addition of cellulose acetate can make homogeneous composites scaffold significantly resistant to higher stress. Elastic modulus of the composites was also improved by the addition of cellulose acetate, making them more appropriate for bioapplications.Keywords: biocomposite, chemical synthesis, infrared spectroscopy, mechanical properties
Procedia PDF Downloads 455951 A Multipurpose Inertial Electrostatic Magnetic Confinement Fusion for Medical Isotopes Production
Authors: Yasser R. Shaban
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A practical multipurpose device for medical isotopes production is most wanted for clinical centers and researches. Unfortunately, the major supply of these radioisotopes currently comes from aging sources, and there is a great deal of uneasiness in the domestic market. There are also many cases where the cost of certain radioisotopes is too high for their introduction on a commercial scale even though the isotopes might have great benefits for society. The medical isotopes such as radiotracers PET (Positron Emission Tomography), Technetium-99 m, and Iodine-131, Lutetium-177 by is feasible to be generated by a single unit named IEMC (Inertial Electrostatic Magnetic Confinement). The IEMC fusion vessel is the upgrading unit of the Inertial Electrostatic Confinement IEC fusion vessel. Comprehensive experimental works on IEC were carried earlier with promising results. The principle of inertial electrostatic magnetic confinement IEMC fusion is based on forcing the binary fuel ions to interact in the opposite directions in ions cyclotrons orbits with different kinetic energies in order to have equal compression (forces) and with different ion cyclotron frequency ω in order to increase the rate of intersection. The IEMC features greater fusion volume than IEC by several orders of magnitude. The particles rate from the IEMC approach are projected to be 8.5 x 10¹¹ (p/s), ~ 0.2 microampere proton, for D/He-3 fusion reaction and 4.2 x 10¹² (n/s) for D/T fusion reaction. The projected values of particles yield (neutrons and protons) are suitable for medical isotope productions on-site by a single unit without any change in the fusion vessel but only the fuel gas. The PET radiotracers are usually produced on-site by medical ion accelerator whereas Technetium-99m (Tc-99m) is usually produced off-site from the irradiation facilities of nuclear power plants. Typically, hospitals receive molybdenum-99 isotope container; the isotope decays to Tc-99mwith half-life time 2.75 days. Even though the projected current from IEMC is lesser than the proton current from the medical ion accelerator but still the IEMC vessel is simpler, and reduced in components and power consumption which add a new value of populating the PET radiotracers in most clinical centers. On the other hand, the projected neutrons flux from the IEMC is lesser than the thermal neutron flux at the irradiation facilities of nuclear power plants, but in the IEMC case the productions of Technetium-99m is suggested to be at the resonance region of which the resonance integral cross section is two orders of magnitude higher than the thermal flux. Thus it can be said the net activity from both is evened. Besides, the particle accelerator cannot be considered a multipurpose particles production unless a significant change is made to the accelerator to change from neutrons mode to protons mode or vice versa. In conclusion, the projected fusion yield from IEMC is a straightforward since slightly change in the primer IEC and ion source is required.Keywords: electrostatic versus magnetic confinement fusion vessel, ion source, medical isotopes productions, neutron activation
Procedia PDF Downloads 342950 Exploration Of The Nonlinear Viscoelastic Behavior Of Yogurt Using Lissajous Curves
Authors: Hugo Espinosa-Andrews
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Introduction: Yogurt is widely accepted worldwide due to its high nutritional value, consistency, and texture. Their rheological properties play a significant role in consumer acceptance and are related to the manufacturing process and formulation. Typically, the viscoelastic characteristics of yogurts are studied using the small amplitude oscillatory shear test; however, the initial stages of flow and oral processing are described in the nonlinear zone, in which a large amplitude oscillatory stress test is applied. The objective of this work was to analyze the nonlinear viscoelastic behavior of commercial yogurts using Lissajous curves. Methods: Two commercial yogurts were purchased in a local store in Guadalajara Jalisco Mexico: a natural Greek-style yogurt and a low-fat traditional yogurt. Viscoelastic properties were evaluated using a large amplitude oscillatory stress procedure (LAOS). A crosshatch geometry of 40 mm and a truncation of 1000 µm were used. Stress sweeps were performed at 6.28 rad/s from 1 to 250 Pa at 5°C. The nonlinear viscoelastic properties were analyzed using the Lissajous curves. Results: The yogurts showed strain-viscoelastic behavior related to deformation-dependent materials. In the low-strain region, the elastic modulus predominated over the viscous modulus, showing gel-elastic properties. The sol-gel transitions were observed at approximately 66.5 Pa for the Greek yogurt, double that detected for traditional yogurt. The viscoelastic behavior of the yogurts was characteristic of weak excess deformation: behavior indicating a stable molecular structure at rest, and moderate structure at medium shear-forces. The normalized Lissajous curves characterized viscoelastic transitions of the yogurt as the stress increased. Greater viscoelasticity deformation was observed in Greek yogurt than in traditional yogurt, which is related to the presence of a protein network with a greater degree of crosslinking. Conclusions: The yogurt composition influences the viscoelastic properties of the material. Yogurt with the higher percentage of protein has greater viscoelastic and viscous properties, which describe a product of greater consistency and creaminess.Keywords: yogurt, viscoelastic properties, LAOS, elastic modulus
Procedia PDF Downloads 20949 The Numerical and Experimental Analysis of Compressed Composite Plate in Asymmetrical Arrangement of Layers
Authors: Katarzyna Falkowicz
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The work focused on the original concept of a thin-walled plate element with a cut-out, for use as a spring or load-bearing element. The subject of the study were rectangular plates with a cut-out with variable geometrical parameters and with a variable angle of fiber arrangement, made of a carbon-epoxy composite with high strength properties in an asymmetrical arrangement, subjected to uniform compression. The influence of geometrical parameters of the cut-out and the angle of fiber arrangement on the value of critical load of the structure and buckling form was investigated. Uniform thin plates are relatively cheap to manufacture, however due to their low bending stiffness; they can carry relatively small loads. The lowest form of loss of plate stability, which is the bending form, leads to its rapid destruction due to high deflection increases, with a slight increase in compressive load - low rigidity of the structure. However, the stiffness characteristics of the structure change significantly when the work of plate is forcing according to the higher flexural-torsional form of buckling. The plate is able to carry a much higher compressive load while maintaining much stiffer work characteristics in the post-critical range. The calculations carried out earlier show that plates with forced higher form of buckling are characterized by stable, progressive paths of post-critical equilibrium, enabling their use as elastic elements. The characteristics of such elements can be designed in a wide range by changing the geometrical parameters of the cut-out, i.e. height and width as well as by changing the angle of fiber arrangement The commercial ABAQUS program using the finite element method was used to develop the discrete model and perform numerical calculations. The obtained results are of significant practical importance in the design of structures with elastic elements, allowing to achieve the required maintenance characteristics of the device.Keywords: buckling mode, numerical method, unsymmetrical laminates, thin-walled elastic elements
Procedia PDF Downloads 103948 Assessment of Material Type, Diameter, Orientation and Closeness of Fibers in Vulcanized Reinforced Rubbers
Authors: Ali Osman Güney, Bahattin Kanber
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In this work, the effect of material type, diameter, orientation and closeness of fibers on the general performance of reinforced vulcanized rubbers are investigated using finite element method with experimental verification. Various fiber materials such as hemp, nylon, polyester are used for different fiber diameters, orientations and closeness. 3D finite element models are developed by considering bonded contact elements between fiber and rubber sheet interfaces. The fibers are assumed as linear elastic, while vulcanized rubber is considered as hyper-elastic. After an experimental verification of finite element results, the developed models are analyzed under prescribed displacement that causes tension. The normal stresses in fibers and shear stresses between fibers and rubber sheet are investigated in all models. Large deformation of reinforced rubber sheet also represented with various fiber conditions under incremental loading. A general assessment is achieved about best fiber properties of reinforced rubber sheets for tension-load conditions.Keywords: reinforced vulcanized rubbers, fiber properties, out of plane loading, finite element method
Procedia PDF Downloads 345947 Nondestructive Monitoring of Atomic Reactions to Detect Precursors of Structural Failure
Authors: Volodymyr Rombakh
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This article was written to substantiate the possibility of detecting the precursors of catastrophic destruction of a structure or device and stopping operation before it. Damage to solids results from breaking the bond between atoms, which requires energy. Modern theories of strength and fracture assume that such energy is due to stress. However, in a letter to W. Thomson (Lord Kelvin) dated December 18, 1856, J.C. Maxwell provided evidence that elastic energy cannot destroy solids. He proposed an equation for estimating a deformable body's energy, equal to the sum of two energies. Due to symmetrical compression, the first term does not change, but the second term is distortion without compression. Both types of energy are represented in the equation as a quadratic function of strain, but Maxwell repeatedly wrote that it is not stress but strain. Furthermore, he notes that the nature of the energy causing the distortion is unknown to him. An article devoted to theories of elasticity was published in 1850. Maxwell tried to express mechanical properties with the help of optics, which became possible only after the creation of quantum mechanics. However, Maxwell's work on elasticity is not cited in the theories of strength and fracture. The authors of these theories and their associates are still trying to describe the phenomena they observe based on classical mechanics. The study of Faraday's experiments, Maxwell's and Rutherford's ideas, made it possible to discover a previously unknown area of electromagnetic radiation. The properties of photons emitted in this reaction are fundamentally different from those of photons emitted in nuclear reactions and are caused by the transition of electrons in an atom. The photons released during all processes in the universe, including from plants and organs in natural conditions; their penetrating power in metal is millions of times greater than that of one of the gamma rays. However, they are not non-invasive. This apparent contradiction is because the chaotic motion of protons is accompanied by the chaotic radiation of photons in time and space. Such photons are not coherent. The energy of a solitary photon is insufficient to break the bond between atoms, one of the stages of which is ionization. The photographs registered the rail deformation by 113 cars, while the Gaiger Counter did not. The author's studies show that the cause of damage to a solid is the breakage of bonds between a finite number of atoms due to the stimulated emission of metastable atoms. The guarantee of the reliability of the structure is the ratio of the energy dissipation rate to the energy accumulation rate, but not the strength, which is not a physical parameter since it cannot be measured or calculated. The possibility of continuous control of this ratio is due to the spontaneous emission of photons by metastable atoms. The article presents calculation examples of the destruction of energy and photographs due to the action of photons emitted during the atomic-proton reaction.Keywords: atomic-proton reaction, precursors of man-made disasters, strain, stress
Procedia PDF Downloads 91946 Modeling Anisotropic Damage Algorithms of Metallic Structures
Authors: Bahar Ayhan
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The present paper is concerned with the numerical modeling of the inelastic behavior of the anisotropically damaged ductile materials, which are based on a generalized macroscopic theory within the framework of continuum damage mechanics. Kinematic decomposition of the strain rates into elastic, plastic and damage parts is basis for accomplishing the structure of continuum theory. The evolution of the damage strain rate tensor is detailed with the consideration of anisotropic effects. Helmholtz free energy functions are constructed separately for the elastic and inelastic behaviors in order to be able to address the plastic and damage process. Additionally, the constitutive structure, which is based on the standard dissipative material approach, is elaborated with stress tensor, a yield criterion for plasticity and a fracture criterion for damage besides the potential functions of each inelastic phenomenon. The finite element method is used to approximate the linearized variational problem. Stress and strain outcomes are solved by using the numerical integration algorithm based on operator split methodology with a plastic and damage (multiplicator) variable separately. Numerical simulations are proposed in order to demonstrate the efficiency of the formulation by comparing the examples in the literature.Keywords: anisotropic damage, finite element method, plasticity, coupling
Procedia PDF Downloads 205945 An Effective Modification to Multiscale Elastic Network Model and Its Evaluation Based on Analyses of Protein Dynamics
Authors: Weikang Gong, Chunhua Li
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Dynamics plays an essential role in function exertion of proteins. Elastic network model (ENM), a harmonic potential-based and cost-effective computational method, is a valuable and efficient tool for characterizing the intrinsic dynamical properties encoded in biomacromolecule structures and has been widely used to detect the large-amplitude collective motions of proteins. Gaussian network model (GNM) and anisotropic network model (ANM) are the two often-used ENM models. In recent years, many ENM variants have been proposed. Here, we propose a small but effective modification (denoted as modified mENM) to the multiscale ENM (mENM) where fitting weights of Kirchhoff/Hessian matrixes with the least square method (LSM) is modified since it neglects the details of pairwise interactions. Then we perform its comparisons with the original mENM, traditional ENM, and parameter-free ENM (pfENM) on reproducing dynamical properties for the six representative proteins whose molecular dynamics (MD) trajectories are available in http://mmb.pcb.ub.es/MoDEL/. In the results, for B-factor prediction, mENM achieves the best performance among the four ENM models. Additionally, it is noted that with the weights of the multiscale Kirchhoff/Hessian matrixes modified, interestingly, the modified mGNM/mANM still has a much better performance than the corresponding traditional ENM and pfENM models. As to dynamical cross-correlation map (DCCM) calculation, taking the data obtained from MD trajectories as the standard, mENM performs the worst while the results produced by the modified mENM and pfENM models are close to those from MD trajectories with the latter a little better than the former. Generally, ANMs perform better than the corresponding GNMs except for the mENM. Thus, pfANM and the modified mANM, especially the former, have an excellent performance in dynamical cross-correlation calculation. Compared with GNMs (except for mGNM), the corresponding ANMs can capture quite a number of positive correlations for the residue pairs nearly largest distances apart, which is maybe due to the anisotropy consideration in ANMs. Furtherly, encouragingly the modified mANM displays the best performance in capturing the functional motional modes, followed by pfANM and traditional ANM models, while mANM fails in all the cases. This suggests that the consideration of long-range interactions is critical for ANM models to produce protein functional motions. Based on the analyses, the modified mENM is a promising method in capturing multiple dynamical characteristics encoded in protein structures. This work is helpful for strengthening the understanding of the elastic network model and provides a valuable guide for researchers to utilize the model to explore protein dynamics.Keywords: elastic network model, ENM, multiscale ENM, molecular dynamics, parameter-free ENM, protein structure
Procedia PDF Downloads 120944 Reformulation of Theory of Critical Distances to Predict the Strength of Notched Plain Concrete Beams under Quasi Static Loading
Authors: Radhika V., J. M. Chandra Kishen
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The theory of critical distances (TCD), due to its appealing characteristics, has been successfully used in the past to predict the strength of brittle as well as ductile materials, weakened by the presence of stress risers under both static and fatigue loading. By utilising most of the TCD's unique features, this paper summarises an attempt for a reformulation of the point method of the TCD to predict the strength of notched plain concrete beams under mode I quasi-static loading. A zone of micro cracks, which is responsible for the non-linearity of concrete, is taken into account considering the concept of an effective elastic crack. An attempt is also made to correlate the value of the material characteristic length required for the application of TCD with the maximum aggregate size in the concrete mix, eliminating the need for any extensive experimentation prior to the application of TCD. The devised reformulation and the proposed power law based relationship is found to yield satisfactory predictions for static strength of notched plain concrete beams, with geometric dimensions of the beam, tensile strength, and maximum aggregate size of the concrete mix being the only needed input parameters.Keywords: characteristic length, effective elastic crack, inherent material strength, modeI loading, theory of critical distances
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