Search results for: moment magnitude

Authors: Vigen Arakelian

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The balancing of mechanisms is a well-known problem in the field of mechanical engineering because the variable dynamic loads cause vibrations, as well as noise, wear and fatigue of the machines. A mechanical system with unbalance shaking force and shaking moment transmits substantial vibration to the frame. Therefore, the objective of the balancing is to cancel or reduce the variable dynamic reactions transmitted to the frame. The resolution of this problem consists in the balancing of the shaking force and shaking moment. It can be fully or partially, by internal mass redistribution via adding counterweights or by modification of the mechanism's architecture via adding auxiliary structures. The balancing problems are of continue interest to researchers. Several laboratories around the world are very active in this area and new results are published regularly. However, despite its ancient history, mechanism balancing theory continues to be developed and new approaches and solutions are constantly being reported. Various surveys have been published that disclose particularities of balancing methods. The author believes that this is an appropriate moment to present a state of the art of the shaking force balancing studies completed by new research results. This paper presents an overview of methods devoted to the shaking force balancing of mechanisms, as well as the historical aspects of the origins and the evolution of the balancing theory of mechanisms.

Keywords: inertial forces, shaking forces, balancing, dynamics, mechanism design

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Authors: Guermache Ahmed Chafik, Khelfellah Ismail, Ait-Ali Takfarines

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The Savonius vertical axis wind turbine is characterized by sufficient starting torque at low wind speeds, simple design and does not require orientation to the wind direction; however, the developed power is lower than other types of wind turbines such as Darrieus. To increase these performances several studies and researches have been developed, such as optimizing blades shape, using passive controls and also minimizing power losses sources like the resisting torque due to friction. This work aims to estimate the performance of a Savonius wind turbine introducing a User Defined Function to the CFD model analyzing resisting torque. This User Defined Function is developed to simulate the action of the wind speed on the rotor; it receives the moment coefficient as an input to compute the rotational velocity that should be imposed on computational domain rotating regions. The rotational velocity depends on the aerodynamic moment applied on the turbine and the resisting torque, which is considered a linear function. Linking the implemented User Defined Function with the CFD solver allows simulating the real functioning of the Savonius turbine exposed to wind. It is noticed that the wind turbine takes a while to reach the stationary regime where the rotational velocity becomes invariable; at that moment, the tip speed ratio, the moment and power coefficients are computed. To validate this approach, the power coefficient versus tip speed ratio curve is compared with the experimental one. The obtained results are in agreement with the available experimental results.

Keywords: resistant torque modeling, Savonius wind turbine, user-defined function, vertical axis wind turbine performances

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Authors: B. Bouadjemi, S. Bentata, W. Benstaali, A. Abbad, T. Lantri, A. Zitouni

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The purpose of this study was to investigate the structural,electronic and magnetic properties of the cubic praseodymium oxides perovskites PrMnO3. It includes our calculations based on the use of the density functional theory (DFT) with both generalized gradient approximation (GGA) and GGA+U approaches, The spin polarized electronic band structures and densities of states aswellas the integer value of the magnetic moment of the unit cell (6 μB) illustrate that PrMnO3 is half-metallic ferromagnetic. The study shows that the robust half-metallicity makes the cubic PrMnO3 a promising candidate for application in spintronics.

Keywords: Perovskite, DFT, electronic properties, Magnetic moment, half-metallic

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Authors: Seyed Saeid Tabaee, Omid Bahar

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Nowadays, using energy dissipation devices has been commonly used in structures. A high rate of energy absorption during earthquakes is the benefit of using such devices, which results in damage reduction of structural elements specifically columns. The hysteretic damping capacity of energy dissipation devices is the key point that it may adversely complicate analysis and design of such structures. This effect may be generally represented by equivalent viscous damping. The equivalent viscous damping may be obtained from the expected hysteretic behavior under the design or maximum considered displacement of a structure. In this paper, the hysteretic damping coefficient of a steel moment resisting frame (MRF), which its performance is enhanced by a buckling restrained brace (BRB) system has been evaluated. Having the foresight of damping fraction between BRB and MRF is inevitable for seismic design procedures like Direct Displacement-Based Design (DDBD) method. This paper presents an approach to calculate the damping fraction for such systems by carrying out the dynamic nonlinear time history analysis (NTHA) under harmonic loading, which is tuned to the natural frequency of the system. Two steel moment frame structures, one equipped with BRB, and the other without BRB are simultaneously studied. The extensive analysis shows that proportion of each system damping fraction may be calculated by its shear story portion. In this way, the contribution of each BRB in the floors and their general contribution in the structural performance may be clearly recognized, in advance.

Keywords: buckling restrained brace, direct displacement based design, dual systems, hysteretic damping, moment resisting frames

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Authors: A. Zitouni, S. Bentata, B. Bouadjemi, T. Lantri, W. Benstaali, A. Zoubir, S. Cherid, A. Sefir

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The structural, electronic, and magnetic properties of transition metal Co and Mn doped zinc-blende semiconductor CdTe were calculated using the density functional theory (DFT) with both generalized gradient approximation (GGA). We have analyzed the structural parameters, charge and spin densities, total and partial densities of states. We find that the Co and Mn doped zinc blende CdTe show half-metallic behavior with a total magnetic moment of 6.0 and 10.0 µB, respectively.The results obtained, make the Co and Mn doped CdTe a promising candidate for application in spintronics.

Keywords: first-principles, half-metallic, diluted magnetic semiconductor, magnetic moment

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Authors: Alfredo Reyes-Salazar, Mario D. Llanes-Tizoc, Eden Bojorquez, Federico Valenzuela-Beltran, Juan Bojorquez, Jose R. Gaxiola-Camacho, Achintya Haldar

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Seismic analysis of steel buildings is usually based on the use of the concentrated mass (ML) matrix and the Rayleigh damping matrix (C). Similarly, the initial stiffness matrix (KO) and the first two modes associated with lateral vibrations are commonly used to develop matrix C. The evaluation of the accuracy of these practices for the particular case of steel buildings with moment-resisting steel frames constitutes the main objective of this research. For this, the non-linear seismic responses of three models of steel frames, representing low-, medium- and high-rise steel buildings, are considered. Results indicate that if the ML matrix is used, shears and bending moments in columns are underestimated by up to 30% and 65%, respectively when compared to the corresponding results obtained with the consistent mass matrix (MC). It is also shown that if KO is used in C instead of the tangent stiffness matrix (Kt), axial loads in columns are underestimated by up to 80%. It is concluded that the consistent mass matrix should be used in the structural modelling of moment-resisting steel frames and that the tangent stiffness matrix should be used to develop the Rayleigh damping matrix.

Keywords: moment-resisting steel frames, consistent and concentrated mass matrices, non-linear seismic response, Rayleigh damping

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Authors: K. Karuppasamy

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In this paper analysis of an infinite beam resting on multilayer tensionless extensible geosynthetic reinforced granular fill - poor soil system overlying soft soil strata under moving the load with constant velocity is presented. The beam is subjected to a concentrated load moving with constant velocity. The upper reinforced granular bed is modeled by a rough membrane embedded in Pasternak shear layer overlying a series of compressible nonlinear Winkler springs representing the underlying the very poor soil. The multilayer tensionless extensible geosynthetic layer has been assumed to deform such that at the interface the geosynthetic and the soil have some deformation. Nonlinear behavior of granular fill and the very poor soil has been considered in the analysis by means of hyperbolic constitutive relationships. Governing differential equations of the soil foundation system have been obtained and solved with the help of appropriate boundary conditions. The solution has been obtained by employing finite difference method by means of Gauss-Siedel iterative scheme. Detailed parametric study has been conducted to study the influence of various parameters on the response of soil – foundation system under consideration by means of deflection and bending moment in the beam and tension mobilized in the geosynthetic layer. These parameters include the magnitude of applied load, the velocity of the load, damping, the ultimate resistance of the poor soil and granular fill layer. The range of values of parameters has been considered as per Indian Railways conditions. This study clearly observed that the comparisons of multilayer tensionless extensible geosynthetic reinforcement with poor foundation soil and magnitude of applied load, relative compressibility of granular fill and ultimate resistance of poor soil has significant influence on the response of soil – foundation system. However, for the considered range of velocity, the response has been found to be insensitive towards velocity. The ultimate resistance of granular fill layer has also been found to have no significant influence on the response of the system.

Keywords: infinite beams, multilayer tensionless extensible geosynthetic, granular layer, moving load and nonlinear behavior of poor soil

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Authors: K. C. Apil, Keshab Sharma, Bigul Pokharel

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Kathmandu Valley, capital city of Nepal houses numerous historical monuments as well as religious structures which are as old as from the 4th century A.D. The city alone is home to seven UNESCO’s world heritage sites including various public squares and religious sanctums which are often regarded as living heritages by various historians and archeological explorers. Recently on April 25, 2015, the capital city including other nearby locations was struck with Gorkha earthquake of moment magnitude (Mw) 7.8, followed by the strongest aftershock of moment magnitude (Mw) 7.3 on May 12. This study reports structural failures and collapse of heritage structures in Kathmandu Valley during the earthquake and presents preliminary findings as to the causes of failures and collapses. Field reconnaissance was carried immediately after the main shock and the aftershock, in major heritage sites: UNESCO world heritage sites, a number of temples and historic buildings in Kathmandu Durbar Square, Patan Durbar Square, and Bhaktapur Durbar Square. Despite such catastrophe, a significant number of heritage structures stood high, performing very well during the earthquake. Preliminary reports from archeological department suggest that 721 of such structures were severely affected, whereas numbers within the valley only were 444 including 76 structures which were completely collapsed. This study presents recorded accelerograms and geology of Kathmandu Valley. Structural typology and architecture of the heritage structures in Kathmandu Valley are briefly described. Case histories of damaged heritage structures, the patterns, and the failure mechanisms are also discussed in this paper. It was observed that performance of heritage structures was influenced by the multiple factors such as structural and architecture typology, configuration, and structural deficiency, local ground site effects and ground motion characteristics, age and maintenance level, material quality etc. Most of such heritage structures are of masonry type using bricks and earth-mortar as a bonding agent. The walls' resistance is mainly compressive, thus capable of withstanding vertical static gravitational load but not horizontal dynamic seismic load. There was no definitive pattern of damage to heritage structures as most of them behaved as a composite structure. Some structures were extensively damaged in some locations, while structures with similar configuration at nearby location had little or no damage. Out of major heritage structures, Dome, Pagoda (2, 3 or 5 tiered temples) and Shikhara structures were studied with similar variables. Studying varying degrees of damages in such structures, it was found that Shikhara structures were most vulnerable one where Dome structures were found to be the most stable one, followed by Pagoda structures. The seismic performance of the masonry-timber and stone masonry structures were slightly better than that of the masonry structures. Regular maintenance and periodic seismic retrofitting seems to have played pivotal role in strengthening seismic performance of the structure. The study also recommends some key functions to strengthen the seismic performance of such structures through study based on structural analysis, building material behavior and retrofitting details. The result also recognises the importance of documentation of traditional knowledge and its revised transformation in modern technology.

Keywords: Gorkha earthquake, field observation, heritage structure, seismic performance, masonry building

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Authors: Nicholas Jensen

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As the effort to create new drugs to treat rare conditions cost-effectively intensifies, there is a need to ensure maximum efficiency in the manufacturing process. This includes the creation of ultracompact treatment forms, which can best be achieved via applications of fundamental laws of physics. This paper reports an experiment exploring the relationship between the forms of Newton's 2ⁿᵈ Law appropriate to linear motion and to transversal architraves. The moment of inertia of three discs was determined by experiments and compared with previous data derived from a theoretical relationship. The method used was to attach the discs to a moment arm. Comparing the results with those obtained from previous experiments, it is found to be consistent with the first law of thermodynamics. It was further found that Newton's 2ⁿᵈ law violates the second law of thermodynamics. The purpose of this experiment was to explore the relationship between the forms of Newton's 2nd Law appropriate to linear motion and to apply torque to a twisting force, which is determined by position vector r and force vector F. Substituting equation alpha in place of beta; angular acceleration is a linear acceleration divided by radius r of the moment arm. The nevrological analogy of Newton's 2nd Law states that these findings can contribute to a fuller understanding of thermodynamics in relation to viscosity. Implications for the pharmaceutical industry will be seen to be fruitful from these findings.

Keywords: Newtonian physics, inertia, viscosity, pharmaceutical applications

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Authors: Saemee Jun, Dong-Hyeon Shin, Tae-Sang Ahn, Hyung-Joon Kim

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Building loss estimation methodologies which have been advanced considerably in recent decades are usually used to estimate socio and economic impacts resulting from seismic structural damage. In accordance with these methods, this paper presents the evaluation of an annual loss probability of a reinforced concrete moment resisting frame designed according to Korean Building Code. The annual loss probability is defined by (1) a fragility curve obtained from a capacity spectrum method which is similar to a method adopted from HAZUS, and (2) a seismic hazard curve derived from annual frequencies of exceedance per peak ground acceleration. Seismic fragilities are computed to calculate the annual loss probability of a certain structure using functions depending on structural capacity, seismic demand, structural response and the probability of exceeding damage state thresholds. This study carried out a nonlinear static analysis to obtain the capacity of a RC moment resisting frame selected as a prototype building. The analysis results show that the probability of being extensive structural damage in the prototype building is expected to 0.004% in a year.

Keywords: expected annual loss, loss estimation, RC structure, fragility analysis

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Authors: Shumaila Ehtisham

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In Statistical Distribution Theory, considering an additional parameter to classical distributions is a usual practice. In this study, a new distribution referred to as α-Power Pareto distribution is introduced by including an extra parameter. Several properties of the proposed distribution including explicit expressions for the moment generating function, mode, quantiles, entropies and order statistics are obtained. Unknown parameters have been estimated by using maximum likelihood estimation technique. Two real datasets have been considered to examine the usefulness of the proposed distribution. It has been observed that α-Power Pareto distribution outperforms while compared to different variants of Pareto distribution on the basis of model selection criteria.

Keywords: α-power transformation, maximum likelihood estimation, moment generating function, Pareto distribution

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Authors: Ren Zuo Wang

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In this paper, in order to investigate the joint behaviors of the Dieh-Dou structure. A pushover experiment of Dieh-Dou Jia-Dong is implemented. NDI, LVDT and image measurement system are used to measure displacements of joints and deformations of Dieh-Dou Jia-Dong. In addition, joint rotation-moment relationships of column restoring force, purlin-supporting, Dou-Shu, Dou-Gong brackets, primary beam-Gua Tong, secondary beam-Gua Tong, Tertiary beam are builied. From Jia-Dong experiments, formulations of joint rotation are proposed.

Keywords: pushover experiment, Dieh-Dou timber frame, image measurement system, joint rotation-moment relationships

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Authors: N. Boukabcha, Y. Megrouss, N. Benhalima, S. Yahiaoui, A. Chouaih, F. Hamzaoui

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We present the electron density analysis of organic compound 4-methyl-N-[(5- nitrothiophen-2-ylmethylidene)] aniline with chemical formula C12H10N2O2S. Indeed, determining the electrostatic properties of nonlinear optical organic compounds requires knowledge of the distribution of the electron density with high precision. On the other hand, a structural analysis is performed. Two methods are used to obtain the structure, X-ray diffraction and theoretical calculation with density functional theory (DFT). The electron density study is performed using the Mopro program1503 based on the multipolar model of Hansen and Coppens. Electron density analysis allows determination of the value and orientation of the dipole moment. The net atomic charges, electrostatic potential and the molecular dipole moment have been determined in order to understand the nature of inter- and intramolecular charge transfer. The study reveals the nature of intermolecular interactions including charge transfer and hydrogen bonds in the title compound. Crystallographic data: monoclinic system - space group P21 / n. Celle parameters: a = 4.7606 (4) Å, b = 22.415 (2) Å, c = 10.7008 (15) Å, β = 92.566 (13) 0, V = 1140.7 (2) Å3, Z = 4, R = 0.0034 for 2693 observed reflections.

Keywords: electron density, dipole moment, electrostatic potential, DFT, Mopro

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Authors: Arturo Maldonado

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In the iron ore mining industry, the intact strength of rock units is defined using the uniaxial compressive strength (UCS). This parameter is very important for the classification of shale materials, allowing the split between rock and cohesive soils based on the magnitude of UCS. For this research, it is assumed that UCS less than or equal to 1 MPa is representative of soils. Several researchers have anticipated that the magnitude of UCS reduces with weathering progression, also since UCS is a directional property, its magnitude depends upon the rock fabric orientation. Thus, the paper presents how the UCS of shales is affected by both weathering grade and bedding orientation. The mineralogy of shales has been defined using Hyper-spectral and chemical assays to define the mineral constituents of shale and other non-shale materials. Geological classification tools have been used to define distinct lithological types, and in this manner, the author uses mineralogical datasets to recognize and isolate shales from other rock types and develop tertiary plots for fresh and weathered shales. The mineralogical classification of shales has reduced the contamination of lithology types and facilitated the study of the physical factors affecting the intact strength of shales, like anisotropic strength due to bedding orientation. The analysis of mineralogical characteristics of shales is perhaps the most important contribution of this paper to other researchers who may wish to explore similar methods.

Keywords: rock mechanics, mineralogy, shales, weathering, anisotropy

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Authors: Hamed Kalhori, Lin Ye

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In this study, an inverse method was developed to reconstruct the magnitude and duration of impact forces exerted to a rectangular carbon fibre-epoxy composite honeycomb sandwich panel. The dynamic signals captured by Piezoelectric (PZT) sensors installed on the panel remotely from the impact locations were utilized to reconstruct the impact force generated by an instrumented hammer through an extended deconvolution approach. Two discretized forms of convolution integral are considered; the traditional one with an explicit transfer function and the modified one without an explicit transfer function. Deconvolution, usually applied to reconstruct the time history (e.g. magnitude) of a stochastic force at a defined location, is extended to identify both the location and magnitude of the impact force among a number of potential impact locations. It is assumed that a number of impact forces are simultaneously exerted to all potential locations, but the magnitude of all forces except one is zero, implicating that the impact occurs only at one location. The extended deconvolution is then applied to determine the magnitude as well as location (among the potential ones), incorporating the linear superposition of responses resulted from impact at each potential location. The problem can be categorized into under-determined (the number of sensors is less than that of impact locations), even-determined (the number of sensors equals that of impact locations), or over-determined (the number of sensors is greater than that of impact locations) cases. For an under-determined case, it comprises three potential impact locations and one PZT sensor for the rectangular carbon fibre-epoxy composite honeycomb sandwich panel. Assessments are conducted to evaluate the factors affecting the precision of the reconstructed force. Truncated Singular Value Decomposition (TSVD) and the Tikhonov regularization are independently chosen to regularize the problem to find the most suitable method for this system. The selection of optimal value of the regularization parameter is investigated through L-curve and Generalized Cross Validation (GCV) methods. In addition, the effect of different width of signal windows on the reconstructed force is examined. It is observed that the impact force generated by the instrumented impact hammer is sensitive to the impact locations of the structure, having a shape from a simple half-sine to a complicated one. The accuracy of the reconstructed impact force is evaluated using the correlation co-efficient between the reconstructed force and the actual one. Based on this criterion, it is concluded that the forces reconstructed by using the extended deconvolution without an explicit transfer function together with Tikhonov regularization match well with the actual forces in terms of magnitude and duration.

Keywords: honeycomb composite panel, deconvolution, impact localization, force reconstruction

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Authors: San-Yih Lin, Hsien-Hao Teng

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In this research, we use commercial software, ANSYS CFX, to carry on the simulation the F16 aerodynamics performance flow field. The flight with a modified Leading Edge Extension (LEX) is proposed to increase the lift/drag ratio. The Shear Stress Transport turbulent model is used. The unstructured grid system is generated by the ICEM CFD. The prism grid around the wall surface is generated to simulate boundary layer viscosity flow field and Tetrahedron Mesh is used for the other computation domain. The lift, drag, and pitch moment are computed. The strong vortex structures upper the wing and vortex bursts under different sweep angle of LEX are investigated.

Keywords: LEX, lift/drag ratio, pitch moment, vortex burst

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Authors: Oscar Bautista, Jose Arcos

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In this work, we conduct a theoretical analysis of an oscillatory electroosmotic flow in a parallel-plate microchannel taking into account slippage at the microchannel walls. The governing equations given by the Poisson-Boltzmann (with the Debye-Huckel approximation) and momentum equations are nondimensionalized from which four dimensionless parameters appear; a Reynolds angular number, the ratio between the zeta potentials of the microchannel walls, the electrokinetic parameter and the dimensionless slip length which measures the competition between the Navier slip length and the half height microchannel. The principal results indicate that the slippage has a strong influence on the magnitude of the oscillatory electroosmotic flow increasing the velocity magnitude up to 50% for the numerical values used in this work.

Keywords: electroosmotic flows, oscillatory flow, slippage, microchannel

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Authors: Eman A. Al-Hilo, Hawraa H. Al-Waelly

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In this work, fractal compression (FIC) technique is introduced based on using moment features to block indexing the zero-mean range-domain blocks. The moment features have been used to speed up the IFS-matching stage. Its moments ratio descriptor is used to filter the domain blocks and keep only the blocks that are suitable to be IFS matched with tested range block. The results of tests conducted on Lena picture and Cat picture (256 pixels, resolution 24 bits/pixel) image showed a minimum encoding time (0.89 sec for Lena image and 0.78 of Cat image) with appropriate PSNR (30.01dB for Lena image and 29.8 of Cat image). The reduction in ET is about 12% for Lena and 67% for Cat image.

Keywords: fractal gray level image, fractal compression technique, iterated function system, moments feature, zero-mean range-domain block

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Authors: G. Culache, M. P. Byfield, N. S. Ferguson, A. Tyas

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Steel joints in building structures represent a weak link in the case of accidental transient loading. This type of loading can occur due to blast effects or impact with moving vehicles and will result in large deformations in the material as well as large rotations. This paper addresses the lack of experimental investigations into the response of moment resisting connections subjected to such loading. The current design philosophy was used to create test specimens with flush and extended end plates. The specimens were tested in a specially designed testing rig capable of delivering the sustained loading even beyond the point of failure. Types of failure that the authors attempted to obtain were bolt fracture, flange crushing and end plate fracture. Experimental data is presented, described and analyzed. The tests show that the strength and ductility can be significantly improved by replacing ordinary mild-steel bolts with their stainless steel equivalents. This minor modification is demonstrated to significantly improve the robustness when subjected to loading that results in high deformations and rotation, where loading is maintained during failure. Conclusions are drawn about the wider implications of this research and recommendations made on the direction of future research in this field.

Keywords: steel moment connections, high strain rates, dynamic loading, experimental testing

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Authors: Amir H. Farivarrad, Kiarash M. Dolatshahi

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During earthquake events, aftershocks can significantly increase the probability of collapse of buildings, especially for those with induced damages during the mainshock. In this paper, a practical approach is proposed for seismic rehabilitation of mainshock-damaged buildings that can be easily implemented within few days after the mainshock. To show the efficacy of the proposed method, a case study nine story steel moment frame building is chosen which was designed to pre-Northridge codes. The collapse fragility curve for the aftershock is presented for both the retrofitted and non-retrofitted structures. Comparison of the collapse fragility curves shows that the proposed method is indeed applicable to reduce the seismic collapse risk.

Keywords: aftershock, the collapse fragility curve, seismic rehabilitation, seismic retrofitting

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Authors: R. S. Malik, S. K. Madan, V. K. Sehgal

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Reinforced concrete (RCC) buildings with dual system consisting of shear walls and moment resisting frames or braces and moment resisting frames have been widely used to resist lateral forces during earthquakes. The two dual systems are designed to resist the total design lateral force in proportion to their lateral stiffness. The response of the combination of braces and shear walls has not yet been studied therefore has practically no work to refer to. The combination may prove to be more effective in lateral load resistance by employing the peculiar advantages of shear walls and braces simultaneously and may also improve the architectural appearance of structures. This concept has been applied to regular RCC buildings provided with shear walls, braces, and their combinations.

Keywords: dynamic analysis, displacement, pushover analysis, dual structures, storey drift

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Authors: Raghul Vignesh Kumar, M. Vadivel

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With the recent years many industries and companies have turned their attention in realizing how going 'green' can benefit public relations, lower cost, and reduce global emissions from industrial manufacturing. Green Computing has become an originative way on how technology and ecology converge together. It is a growing import subject that creates an urgent need to train next generation computer scientists or practitioners to think ‘green’. However, green computing has not yet been well taught in computer science or computer engineering courses as a subject. In this modern IT world it’s impossible for an organization or common man to work without hardware like servers, desktop, IT devices, smartphones etc. But it is also important to consider the harmful impact of those devices and steps to achieve energy saving and environmental protection. This paper presents the magnitude of green computing and steps to be followed to go green.

Keywords: green computing, carbon-dioxide, greenhouse gas, energy saving, environmental protection agency

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Authors: Akeel A. Shah, Tong Zhang

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Computational approaches to learning the properties of materials are commonplace, motivated by the need to screen or design materials for a given application, e.g., semiconductors and energy storage. Experimental approaches can be both time consuming and costly. Unfortunately, computational approaches such as ab-initio electronic structure calculations and classical or ab-initio molecular dynamics are themselves can be too slow for the rapid evaluation of materials, often involving thousands to hundreds of thousands of candidates. Machine learning assisted approaches have been developed to overcome the time limitations of purely physics-based approaches. These approaches, on the other hand, require large volumes of data for training (hundreds of thousands on many standard data sets such as QM7b). This means that they are limited by how quickly such a large data set of physics-based simulations can be established. At high fidelity, such as configuration interaction, composite methods such as G4, and coupled cluster theory, gathering such a large data set can become infeasible, which can compromise the accuracy of the predictions - many applications require high accuracy, for example band structures and energy levels in semiconductor materials and the energetics of charge transfer in energy storage materials. In order to circumvent this problem, multi-fidelity approaches can be adopted, for example the Δ-ML method, which learns a high-fidelity output from a low-fidelity result such as Hartree-Fock or density functional theory (DFT). The general strategy is to learn a map between the low and high fidelity outputs, so that the high-fidelity output is obtained a simple sum of the physics-based low-fidelity and correction, Although this requires a low-fidelity calculation, it typically requires far fewer high-fidelity results to learn the correction map, and furthermore, the low-fidelity result, such as Hartree-Fock or semi-empirical ZINDO, is typically quick to obtain, For high-fidelity outputs the result can be an order of magnitude or more in speed up. In this work, a new multi-fidelity approach is developed, based on a graph convolutional network (GCN) combined with semi-supervised learning. The GCN allows for the material or molecule to be represented as a graph, which is known to improve accuracy, for example SchNet and MEGNET. The graph incorporates information regarding the numbers of, types and properties of atoms; the types of bonds; and bond angles. They key to the accuracy in multi-fidelity methods, however, is the incorporation of low-fidelity output to learn the high-fidelity equivalent, in this case by learning their difference. Semi-supervised learning is employed to allow for different numbers of low and high-fidelity training points, by using an additional GCN-based low-fidelity map to predict high fidelity outputs. It is shown on 4 different data sets that a significant (at least one order of magnitude) increase in accuracy is obtained, using one to two orders of magnitude fewer low and high fidelity training points. One of the data sets is developed in this work, pertaining to 1000 simulations of quinone molecules (up to 24 atoms) at 5 different levels of fidelity, furnishing the energy, dipole moment and HOMO/LUMO.

Keywords: .materials screening, computational materials, machine learning, multi-fidelity, graph convolutional network, semi-supervised learning

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Authors: Y. Megrous, A. Chouaih, F. Hamzaoui

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The crystal structure of 4-Methyl-7-(salicylideneamino)coumarin C17H13NO3has been determined using X-ray diffraction to establish the configuration and stereochemistry of the molecule. This crystal is characterized by its nolinear activity. The molecular electron charge density distribution of the title compound is described accurately using the multipolar model of Hansen and Coppens. The net atomic charge and the molecular dipole moment in-crystal have been determined in order to understand the nature of inter-and intramolecular charge transfer. The study present the thermal motion and the structural analysis obtained from the least-square refinement on F2,this study has also allowed us to determine the electrostatic potential and therefore locate the electropositive part and the electronegative part in molecular scale of the title compound.

Keywords: electron charge density, net atomic charge, molecular dipole moment, X-ray diffraction

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Authors: Zainab A. Bu Sinnah, David I. Graham

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The Lattice Boltzmann Method has been developed and used to simulate both steady and unsteady fluid flow problems such as turbulent flows, multiphase flow and flows in the vascular system. As an example, the study of blood flow and its properties can give a greater understanding of atherosclerosis and the flow parameters which influence this phenomenon. The blood flow in the vascular system is driven by a pulsating pressure gradient which is produced by the heart. As a very simple model of this, we simulate plane channel flow under periodic forcing. This pulsatile flow is essentially the standard Poiseuille flow except that the flow is driven by the periodic forcing term. Moment boundary conditions, where various moments of the particle distribution function are specified, are applied at solid walls. We used a second-order single relaxation time model and investigated grid convergence using two distinct approaches. In the first approach, we fixed both Reynolds and Womersley numbers and varied relaxation time with grid size. In the second approach, we fixed the Womersley number and relaxation time. The expected second-order convergence was obtained for the second approach. For the first approach, however, the numerical method converged, but not necessarily to the appropriate analytical result. An explanation is given for these observations.

Keywords: Lattice Boltzmann method, single relaxation time, pulsatile flow, moment based boundary condition

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Authors: Karim Akkouche

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Many methods have been developed for characterizing the behavior of bolted joints. However, in the presence of a certain model of stiffeners, no orientation was given in relation to their modeling. To this end, multitude of coarse errors can arise in the reproduction of the propagation of efforts and in representation of the modes of deformations. Considering these particularities, a numerical investigation was carried out in our laboratory. In this paper we will present a comparative study between three types of assemblies. A non-linear 3D modeling was chosen, given that it takes into consideration geometric and material non-linearity, using the Finite Element calculation code ABAQUS. Initially, we evaluated the influence of the presence of each stiffener on the "global" behavior of the assemblies, this by analyzing their Moment-Rotation curves, also by referring to the classification system proposed by NF EN 1993- 1.8 which is based on the resisting moment Mj-Rd and the initial stiffness Sj.int. In a second step, we evaluated the "local" behavior of their components by referring to the stress-strain curves.

Keywords: assembly, post-beam, end plate, nonlinearity

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Authors: Viacheslav Shkuratskyy, Aminu Bello Usman, Michael O’Dea, Saifur Rahman Sabuj

Abstract:

This paper examines relationships between solar activity and earthquakes; it applied machine learning techniques: K-nearest neighbour, support vector regression, random forest regression, and long short-term memory network. Data from the SILSO World Data Center, the NOAA National Center, the GOES satellite, NASA OMNIWeb, and the United States Geological Survey were used for the experiment. The 23rd and 24th solar cycles, daily sunspot number, solar wind velocity, proton density, and proton temperature were all included in the dataset. The study also examined sunspots, solar wind, and solar flares, which all reflect solar activity and earthquake frequency distribution by magnitude and depth. The findings showed that the long short-term memory network model predicts earthquakes more correctly than the other models applied in the study, and solar activity is more likely to affect earthquakes of lower magnitude and shallow depth than earthquakes of magnitude 5.5 or larger with intermediate depth and deep depth.

Keywords: k-nearest neighbour, support vector regression, random forest regression, long short-term memory network, earthquakes, solar activity, sunspot number, solar wind, solar flares

Procedia PDF Downloads 73

Authors: Akash K. Walunj, Dipendu Bhunia, Samarth Gupta, Prabhat Gupta

Abstract:

Coupled shear walls consist of two shear walls connected intermittently by beams along the height. The behavior of coupled shear walls is mainly governed by the coupling beams. The coupling beams are designed for ductile inelastic behavior in order to dissipate energy. The base of the shear walls may be designed for elastic or ductile inelastic behavior. The amount of energy dissipation depends on the yield moment capacity and plastic rotation capacity of the coupling beams. In this paper, an analytical model of coupling beam was developed to calculate the rotations and moment capacities of coupling beam with conventional reinforcement.

Keywords: design studies, computational model(s), case study/studies, modelling, coupling beam

Procedia PDF Downloads 476

Authors: Mircea I. Pastrav, Cornelia Baera, Florea Dinu

Abstract:

A different concept for designing and detailing of reinforced concrete precast frame structures is analyzed in this paper. The new detailing of the joints derives from the special hybrid moment frame joints. The special reinforcements of this alternative detailing, named modified special hybrid joint, are bondless with respect to both column and beams. Full scale tests were performed on a plan model, which represents a part of 5 story structure, cropped in the middle of the beams and columns spans. Theoretical approach was developed, based on testing results on twice repaired model, subjected to lateral seismic type loading. Discussion regarding the modified special hybrid joint behavior and further on widening research needed concludes the presentation.

Keywords: modified hybrid joint, repair, seismic loading type, acceptance criteria

Procedia PDF Downloads 523

Authors: Ehsan Asgari, Meisam Afazeli, Nezhla Attarchian

Abstract:

Post-earthquake fire is considered as a major threat in seismic areas. After an earthquake, fire is possible in structures. In this research, the effect of post-earthquake fire on steel moment frames with and without fireproofing coating is investigated. For this purpose, finite element method is employed. For the verification of finite element results, the results of an experimental study carried out by previous researchers are used, and the predicted FE results are compared with the test results, and good agreement is observed. After ensuring the accuracy of the predictions of finite element models, the effect of post-earthquake fire on the frames is investigated taking into account the parameters including the presence or absence of fire protection, frame design assumptions, earthquake type and different fire scenario. Ordinary fire and post-earthquake fire effect on the frames is also studied. The plastic hinges induced by earthquake in the structure are determined in the beam to the column connection and in panel zone. These areas should be accurately considered when providing fireproofing coatings. The results of the study show that the occurrence of fire beside corner columns is the most damaging scenario that results in progressive collapse of structure. It was also concluded that the behavior of structure in fire after a strong ground motion is significantly different from that in a normal fire.

Keywords: post earthquake fire, moment frame, finite element simulation, coupled temperature-displacement analysis, fire scenario

Procedia PDF Downloads 154