Search results for: structural analysis

Authors: N. Benkhettoua, Y. Barkata

Abstract:

We present first-principles studies of structural and thermodynamic properties of MnNi According to the calculated total energies, by using an all-electron full-potential linear muffin–tin orbital method (FP-LMTO) within LDA and the quasi-harmonic Debye model implemented in the Gibbs program is used for the temperature effect on structural and calorific properties.

Keywords: magnetic materials, structural properties, thermodynamic properties, metallurgical and materials engineering

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Authors: Tolulope Babawarun, Harry Ngwangwa

Abstract:

The wind turbine blade may sustain structural damage from external loads such as high winds or collisions, which could compromise its aerodynamic efficiency. The wind turbine blade vibrates at significant intensities and amplitudes under these conditions. The effect of these vibrations on the dynamic flow field surrounding the blade changes the forces operating on it. The structural dynamic analysis of a small wind turbine blade is considered in this study. It entails creating a finite element model, validating the model, and doing structural analysis on the verified finite element model. The analysis is based on the structural reaction of a small-scale wind turbine blade to various loading sources. Although there are many small-scale off-shore wind turbine systems in use, only preliminary structural analysis is performed during design phases; these systems' performance under various loading conditions as they are encountered in real-world situations has not been properly researched. This will allow us to record the same Equivalent von Mises stress and deformation that the blade underwent. A higher stress contour was found to be more concentrated near the middle span of the blade under the various loading scenarios studied. The highest stress that the blade in this study underwent is within the range of the maximum stress that blade material can withstand. The maximum allowable stress of the blade material is 1,770 MPa. The deformation of the blade was highest at the blade tip. The critical speed of the blade was determined to be 4.3 Rpm with a rotor speed range of 0 to 608 Rpm. The blade's mode form under loading conditions indicates a bending mode, the most prevalent of which is flapwise bending.

Keywords: ANSYS, finite element analysis, static loading, dynamic analysis

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Authors: E. Dehghan, R. Dehghan

Abstract:

Generally, the slender structural walls have flexural behavior. Since behavior of bending members can be explained by moment–curvature relation, therefore, an analytical model is proposed based on moment–curvature relation for slender structural walls. The moment–curvature relationships of RC sections are constructed through section analysis. Governing equations describing the bond-slip behavior in walls are derived and applied to moment–curvature relations. For the purpose of removing the imprecision in analytical results, the plastic hinge length is included in the finite element modeling. Finally, correlation studies between analytical and experimental results are conducted with the objective to establish the validity of the proposed algorithms. The results show that bond-slip effect is more significant in walls subjected to larger axial compression load. Moreover, preferable results are obtained when ultimate strain of concrete is assumed conservatively.

Keywords: nonlinear analysis, slender structural walls, moment-curvature relation, bond-slip, plastic hinge length

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Authors: Tuğrul Aksoy, Hüseyin Karabıyık

Abstract:

Reloading vehicles are the vehicles which are generally equipped with a crane and used to carry a stowage from a point and locate onto the vehicle or vice versa. In this study, structural analysis of a reloading vehicle was performed under the loads which are predicted to be exposed under operating conditions via the finite element method. Among the finite element analysis results, the stress and displacement distributions of the vehicle and the contact pressure distributions of the guide rings within the stabilization legs were examined. Vehicle design was improved by strengthening certain parts according to the analysis results. The analyses performed for the final design were verified by the experiments involving strain gauge measurements.

Keywords: structural analysis, reloading vehicle, crane, strain gauge

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Authors: Muhammad Fawad

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Monitoring and structural health assessment are the primary requirements for the performance evaluation of damaged bridges. This paper highlights the case study of a damaged Reinforced Concrete (RC) bridge structure where the Finite element (FE) modelling of this structure was done using the material properties extracted by the in-situ testing. Analysis was carried out to evaluate the bridge damage. On the basis of FE analysis results, this study proposes a proper Structural Health Monitoring (SHM) system that will extend the life cycle of the bridge with minimal repair costs and reduced risk of failure. This system is based on the installation of three different types of sensors: Liquid Levelling sensors (LLS) for measurement of vertical displacement, Distributed Fiber Optic Sensors (DFOS) for crack monitoring, and Weigh in Motion (WIM) devices for monitoring of moving loads on the bridge.

Keywords: bridges, reinforced concrete, finite element method, structural health monitoring, sensors

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Authors: Mohamad Saberi, Arash Sohrabi

Abstract:

Tuned liquid damper is one the passive structural control ways which has been used since mid-1980 decade for seismic control in civil engineering. This system is made of one or many tanks filled with fluid, mostly water that installed on top of the high raised structure and used to prevent structure vibration. In this article we will show how to make seismic table contain TLD system and analysis the result of using this system in our structure. Results imply that when frequency ratio approaches 1 this system can perform its best in both dissipate energy and increasing structural damping. And also results of these serial experiments are proved compatible with Hunzer linear theory behaviour.

Keywords: TLD, seismic table, structural system, Hunzer linear behaviour

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Authors: Byeong-Sam Kim, Kyeongwoo Park

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In this study, induced structural optimization is performed to compare the trade-off between wing weight and induced drag for wing panel extensions, construction of wing panel and winglets. The aerostructural optimization problem consists of parameters with strength condition, and two maneuver conditions using residual stresses in panel production. The results of kinematic motion analysis presented a homogenization based theory for 3D beams and 3D shells for wing panel. This theory uses a kinematic description of the beam based on normalized displacement moments. The displacement of the wing is a significant design consideration as large deflections lead to large stresses and increased fatigue of components cause residual stresses. The stresses in the wing panel are small compared to the yield stress of aluminum alloy. This study describes the implementation of a large wing panel, aerostructural analysis and structural parameters optimization framework that couples a three-dimensional panel method.

Keywords: wing panel, aerostructural optimization, FEM, structural analysis

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Authors: Mohamed M. El Gendy, Ibrahim A. El Arabi, Rafeek W. Abdel-Missih, Omar A. Kandil

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Nonlinear analysis is one of the most important design and safety tools in structural engineering. Based on the finite-element method, a geometrical and material nonlinear analysis of large span reinforced concrete arches is carried out considering soil-structure interaction. The concrete section details and reinforcement distribution are taken into account. The behavior of soil is considered via Winkler's and continuum models. A computer program (NARC II) is specially developed in order to follow the structural behavior of large span reinforced concrete arches up to failure. The results obtained by the proposed model are compared with available literature for verification. This work confirmed that the geometrical and material nonlinearities, as well as soil structure interaction, have considerable influence on the structural response of reinforced concrete arches.

Keywords: nonlinear analysis, reinforced concrete arched structure, soil-structure interaction, geotechnical engineering

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Authors: Ismail Seçer

Abstract:

The purpose of this study is to analyze the relationship between school burnout and academic motivation in high school students. The working group of the study consists of 455 students from the high schools in Erzurum city center, selected with appropriate sampling method. School Burnout Scale and Academic Motivation Scale were used in the study to collect data. Correlation analysis and structural equation modeling were used in the analysis of the data collected through the study. As a result of the study, it was determined that there are significant and negative relations between school burnout and academic motivation, and the school burnout has direct and indirect significant effects on the getting over himself, using knowledge and exploration dimension through the latent variable of academic motivation. Lastly, it was determined that school burnout is a significant predictor of academic motivation.

Keywords: school burnout, motivation, structural equation modeling, university

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Authors: Surjit Angra, Manisha Kumari, Vinod Kumar

Abstract:

The objective of the Hydro Turbine Head Cover is to support the guide bearing, guide vane regulating mechanism and even in some design for generator thrust bearing support. Mechanical design of head cover deals with high static as well as fluctuating load acting on the structure. In the present work structural analysis of hydro turbine Head-cover using ANSYS software is carried out. Finite element method is used to calculate stresses on head cover. These calculations were done for the maximum possible loading under operating condition “LCI Quick Shut Down”. The results for equivalent Von-Mises stress, total deformation and directional deformation have been plotted and compared with the existing results whether the design is safe or not.

Keywords: ANSYS, head cover, hydro-turbine, structural analysis, total deformation, Von-Mises stress

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Authors: Mohamad Saberi, Arash Sohrabi

Abstract:

Tuned liquid damper is one the passive structural control ways which has been used since mid-1980 decade for seismic control in civil engineering. This system is made of one or many tanks filled with fluid, mostly water that installed on top of the high raised structure and used to prevent structure vibration. In this article, we will show how to make seismic table contain TLD system and analysis the result of using this system in our structure. Results imply that when frequency ratio approaches 1 this system can perform its best in both dissipate energy and increasing structural damping. And also results of these serial experiments are proved compatible with Hunzer linear theory behaviour.

Keywords: TLD, seismic table, structural system, Hunzer linear behaviour

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Authors: M. Momoh, S. Abdullahi, A. U. Moreh

Abstract:

Zinc oxide (ZnO) thin films were prepared on corning (7059) glass substrates at a thickness of 75.5 and 130.5 nm by RF sputtering technique. The deposition was carried out at room temperature after which the samples were annealed in open air at 150°C. The electrical and structural properties of these films were studied. The electrical properties of the films were monitored by four-point probe method while the structural properties were studied by X-ray diffraction (XRD). It was found that the electrical resistance of the films decreases with increase in the thickness of the films. The XRD analysis of the films showed that the films have a peak located at 34.31°-34.35° with hkl (002). Other parameters calculated include the stress (σ) and the grain size (D).

Keywords: electrical properties, film thickness, structural properties, zinc oxide

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Authors: Ubaidillah Zuhdi, Shunsuke Mori, Kazuhisa Kamegai

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The purpose of this study is to forecast the influences of Information and Communication Technology (ICT) on the structural changes of Japanese economies based on Leontief Input-Output (IO) coefficients. This study establishes a statistical analysis to predict the future interrelationships among industries. We employ the Constrained Multivariate Regression (CMR) model to analyze the historical changes of input-output coefficients. Statistical significance of the model is then tested by Likelihood Ratio Test (LRT). In our model, ICT is represented by two explanatory variables, i.e. computers (including main parts and accessories) and telecommunications equipment. A previous study, which analyzed the influences of these variables on the structural changes of Japanese industrial sectors from 1985-2005, concluded that these variables had significant influences on the changes in the business circumstances of Japanese commerce, business services and office supplies, and personal services sectors. The projected future Japanese economic structure based on the above forecast generates the differentiated direct and indirect outcomes of ICT penetration.

Keywords: forecast, ICT, industrial structural changes, statistical analysis

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Authors: Perminder JitKaur, Santosh Satya, K. K. Pant, S. N. Naik

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Bamboo is extensively used in construction industry. Low durability of bamboo due to fungus infestation and termites attack under storage puts certain constrains for it usage as modern structural material. Looking at many chemical formulations for bamboo treatment leading to severe harmful environment effects, research on eco-friendly preservatives for bamboo treatment has been initiated world-over. In the present studies, eco-friendly preservative for bamboo treatment has been developed. To validate its application for structural purposes, investigation of effect of treatment on compressive strength has been investigated. Neem oil(25%) integrated with copper naphthenate (0.3%) on dilution with kerosene oil impregnated into bamboo culm at 2 bar pressure, has shown weight loss of only 3.15% in soil block analysis method. The results of compressive strength analysis using The results from compressive strength analysis using HEICO Automatic Compression Testing Machine, reveal that preservative treatment has not altered the structural properties of bamboo culms. Compressive strength of control (11.72 N/mm2) and above treated samples (11.71 N/mm2) was found to be comparable.

Keywords: D. strictus, bamboo, neem oil, presure treatment, compressive strength

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Authors: Xinjian Kou, Linlin Li, Yongju Zhou, Jimian Song

Abstract:

We introduce the redundancy matrix that expresses clearly the geometrical/topological configuration of the structure. With the matrix, the redundancy of the structure is resolved into redundant components and assigned to each member or rigid joint. The values of the diagonal elements in the matrix indicates the importance of the corresponding members or rigid joints, and the geometrically correlations can be shown with the non-diagonal elements. If a member or rigid joint failures, reassignment of the redundant components can be calculated with the recursive method given in the paper. By combining the indexes of reliability and redundancy components, we define an index concerning the structural robustness. To further explain the properties of the redundancy matrix, we cited several examples of statically indeterminate structures, including two trusses and a rigid frame. With the examples, some simple results and the properties of the matrix are discussed. The examples also illustrate that the redundancy matrix and the relevant concepts are valuable in structural safety analysis.

Keywords: Structural Robustness, Structural Reliability, Redundancy Component, Redundancy Matrix

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Authors: Jakub Bartus

Abstract:

In general, composite steel and concrete structures present an effective structural solution utilizing full potential of both materials. As they have a numerous advantages on the construction side, they can reduce greatly the overall cost of construction, which is the main objective of the last decade, highlighted by the current economic and social crisis. The study represents not only an analysis of composite beams’ behaviour having web openings but emphasizes the influence of these openings on the total strain distribution at the level of steel bottom flange as well. The major investigation was focused on a change of structural performance with respect to various layouts of openings. Examining this structural modification, an improvement of load carrying capacity of composite beams was a prime object. The study is devided into analytical and numerical part. The analytical part served as an initial step into the design process of composite beam samples, in which optimal dimensions and specific levels of utilization in individual stress states were taken into account. The numerical part covered description of imposed structural issue in a form of a finite element model (FEM) using strut and shell elements accounting for material non-linearities. As an outcome, a number of conclusions were drawn describing and explaining an effect of web opening presence on the structural performance of composite beams.

Keywords: composite beam, web opening, steel flange, totalstrain, finite element analysis

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Authors: Mohammad Befkin, Alireza Momtaz

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Structural design is the challenging aspect of every project due to limitations in dimensions, functionality of the structure, and more importantly, the allocated budget for construction. This research study aims to investigate the optimized design for three steel moment frame buildings with different number of stories using genetic algorithm code. The number and length of spans, and height of each floor were constant in all three buildings. The design of structures are carried out according to AISC code within the provisions of plastic design with allowable stress values. Genetic code for optimization is produced using MATLAB program, while buildings modeled in Opensees program and connected to the MATLAB code to perform iterations in optimization steps. In the end designs resulted from genetic algorithm code were compared with the analysis of buildings in ETABS program. The results demonstrated that suggested structural elements by the code utilize their full capacity, indicating the desirable efficiency of produced code.

Keywords: genetic algorithm, structural analysis, steel moment frame, structural design

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Authors: Reza Behboodian

Abstract:

Monitoring the structural health and diagnosing their damage in the early stages has always been one of the topics of concern. Nowadays, research on structural damage detection methods based on vibration analysis is very extensive. Moreover, these methods can be used as methods of permanent and timely inspection of structures and prevent further damage to structures. Non-destructive methods are the low-cost and economical methods for determining the damage of structures. In this research, a non-destructive method for detecting and identifying the failure location in structures based on dynamic responses resulting from time history analysis is proposed. When the structure is damaged due to the reduction of stiffness, and due to the applied loads, the displacements in different parts of the structure were increased. In the proposed method, the damage position is determined based on the calculation of the strain energy difference in each member of the damaged structure and the healthy structure at any time. Defective members of the structure are indicated by the amount of strain energy relative to the healthy state. The results indicated that the proper accuracy and performance of the proposed method for identifying failure in structures.

Keywords: failure, time history analysis, dynamic response, strain energy

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Authors: Rims Janeliukstis, Deniss Mironovs, Andrejs Kovalovs

Abstract:

Operational Modal Analysis (OMA) is widely applied as a method for Structural Health Monitoring for structural damage identification and assessment by tracking the changes of the identified modal parameters over time. Unfortunately, modal parameters also depend on such external factors as temperature and loads. Any structural condition assessment using modal parameters should be done taking into consideration those external factors, otherwise there is a high chance of false positives. A method of structural reliability assessment based on anomaly detection technique called Machalanobis Squared Distance (MSD) is proposed. It requires a set of reference conditions to learn healthy state of a structure, which all future parameters are compared to. In this study, structural modal parameters (natural frequency and mode shape), as well as ambient temperature and loads acting on the structure are used as features. Numerical tests were performed on a finite element model of a carbon fibre reinforced polymer composite beam with delamination damage at various locations and of various severities. The advantages of the demonstrated approach include relatively few computational steps, ability to distinguish between healthy and damaged conditions and discriminate between different damage severities. It is anticipated to be promising in reliability assessment of massively produced structural parts.

Keywords: operational modal analysis, reliability assessment, anomaly detection, damage, mahalanobis squared distance

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Authors: İsmail Ay

Abstract:

In this study, it was aimed to determine the relations between need for psychological help and psychological symptoms. The sample of the study consists of 530 university students getting educated in University of Atatürk in 2015-2016 academic years. Need for Psychological Help Scale and Brief Symptom Inventory were used to collect data in the study. In data analysis, correlation analysis and structural equation model with latent variables were used. Normality and homogeneity analyses were used to analyze the basic conditions of parametric tests. The findings obtained from the study show that as the psychological symptoms increase, need for psychological help also increases. The findings obtained through the study were approached according to the literature.

Keywords: psychological symptoms, need for psychological help, structural equation model, correlation

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Authors: Montaceur Zaghdoud, Mohamed Moussaoui, Jalel Akaichi

Abstract:

Frequent subgraph mining refers usually to graph matching and it is widely used in when analyzing big data with large graphs. A lot of research works dealt with structural exact or inexact graph matching but a little attention is paid to semantic matching when graph vertices and/or edges are attributed and typed. Therefore, it seems very interesting to integrate background knowledge into the analysis and that extracted frequent subgraphs should become more pruned by applying a new semantic filter instead of using only structural similarity in graph matching process. Consequently, this paper focuses on developing a new hybrid approximate structuralsemantic graph matching to discover a set of frequent subgraphs. It uses simultaneously an approximate structural similarity function based on graph edit distance function and a possibilistic vertices similarity function based on affinity function. Both structural and semantic filters contribute together to prune extracted frequent set. Indeed, new hybrid structural-semantic frequent subgraph mining approach searches will be suitable to be applied to several application such as community detection in social networks.

Keywords: approximate graph matching, hybrid frequent subgraph mining, graph mining, possibility theory

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Authors: Sireen Irsheid, Stephanie Keeney Parks, Michael A. Lindsey

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The medical and mental health field have been organized as reactive systems to respond to symptoms of mental health problems and disability. This becomes problematic particularly for those harmed by structural violence and racism, typically pushing us in the direction of alleviating symptoms and personalizing structural problems. The current paper examines how we assess, diagnose, and treat mental health and disability challenges in clinical spaces. We provide the readers with some context to think about the problem of racism and mental health/disability, ways to deconstruct the problem through the lens of structural violence, and recommendations to critically engage in clinical assessments, diagnosis, and treatment for young people impacted by structural violence and racism.

Keywords: mental health, disability, race and ethnicity, structural violence, structural racism, young people

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Authors: George D. Hatzigeorgiou, Nikos G. Pnevmatikos

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This study examines the inelastic behavior of adjacent planar reinforced concrete (R.C.) frames subjected to strong ground motions. The investigation focuses on the effects of vertical ground motion on the seismic pounding. The examined structures are modeled and analyzed by RUAUMOKO dynamic nonlinear analysis program using reliable hysteretic models for both structural members and contact elements. It is found that the vertical ground motion mildly affects the seismic response of adjacent buildings subjected to structural pounding and, for this reason, it can be ignored from the displacement and interstorey drifts assessment. However, the structural damage is moderately affected by the vertical component of earthquakes.

Keywords: nonlinear seismic behavior, reinforced concrete structures, structural pounding, vertical ground motions

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Authors: Daniel Y. Abebe, Jeonghyun Jang, Jaehyouk Choi

Abstract:

This study aims to evaluate the effective size, section and structural characteristics of circular hollow steel (CHS) damper. CHS damper is among steel dampers which are used widely for seismic energy dissipation because they are easy to install, maintain and are inexpensive. CHS damper dissipates seismic energy through metallic deformation due to the geometrical elasticity of circular shape and fatigue resistance around connection part. After calculating the effective size, which is found to be height to diameter ratio of √("3"), nonlinear FE analyses were carried out to evaluate the structural characteristics and effective section (diameter-to-ratio).

Keywords: circular hollow steel damper, structural characteristics, effective size, effective section, large deformation, FE analysis

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Authors: Haffaf Hafid

Abstract:

Hypergraphs, after being used to model the structural organization of System of Sytems (SoS) at macroscopic level, has recent trends towards generalizing this powerful representation at different stages of complex system modelling. In this paper, we first describe different applications of hypergraph theory, and step by step, introduce multilevel modeling of SoS by means of integrating Constraint Programming Langages (CSP) dealing with engineering system reconfiguration strategy. As an application, we give an A.C.T Terminal controlled by a set of Intelligent Automated Vehicle.

Keywords: hypergraph model, structural analysis, bipartite graph, monitoring, system of systems, reconfiguration analysis, hypernetwork

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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: James Kinyua Gitonga, Toshio Fujimi

Abstract:

Vulnerability assessment and analysis is essential to solving the degree of damage and loss as a result of natural disasters. Urban flooding causes a major economic loss and casualties, at Mathare residential area in Nairobi, Kenya. High population caused by rural-urban migration, Unemployment, and unplanned urban development are among factors that increase flood vulnerability in Mathare area. This study aims to analyse flood risk physical vulnerabilities in Mathare based on scientific data, research data that includes the Rainfall data, River Mathare discharge rate data, Water runoff data, field survey data and questionnaire survey through sampling of the study area have been used to develop the risk curves. Three structural types of building were identified in the study area, vulnerability and risk curves were made for these three structural types by plotting the relationship between flood depth and damage for each structural type. The results indicate that the structural type with mud wall and mud floor is the most vulnerable building to flooding while the structural type with stone walls and concrete floor is least vulnerable. The vulnerability of building contents is mainly determined by the number of floors, where households with two floors are least vulnerable, and households with a one floor are most vulnerable. Therefore more than 80% of the residential buildings including the property in the building are highly vulnerable to floods consequently exposed to high risk. When estimating the potential casualties/injuries we discovered that the structural types of houses were major determinants where the mud/adobe structural type had casualties of 83.7% while the Masonry structural type had casualties of 10.71% of the people living in these houses. This research concludes that flood awareness, warnings and observing the building codes will enable reduce damage to the structural types of building, deaths and reduce damage to the building contents.

Keywords: flood loss, Mathare Nairobi, risk curve analysis, vulnerability

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Authors: Naser Alenezi, Ibrahim Alsakkaf, Osama Eid

Abstract:

The main objective of this study is to develop an independent reliability based code for reinforced concrete (R/C) structural components and elements solely for the State of Kuwait and its neighboring countries. The proposed code will take into account the harsh Kuwait’s harsh environment, loading conditions and material strengths. The method for developing such a code is based on structural reliability theory that takes into accounts the specific geographical and the various prescribed societal environment of the Kuwait region. These methods were developed according to the following four components: (1) loads, (2) structural strength, (3) reliability analysis, and (4) achieving target reliability levels (reliability index ’s ). The final product from this study will be a design code for R/C structural elements that include beams and columns, and some other structural members. This reliability-based LRFD design code will provide appropriate, easy, fast, and economical approach for designing R/C structural elements such as, beams and columns, for both houses and bridges, and other concrete structures. In addition, this reliability-based codified design of R/C beams, columns, and, possibly, concrete slabs will improve the design and serviceability of R/C bridge and building systems in Kuwait and neighboring GCC countries. Also, it has the potential to reduce the cost of new concrete structures, as fewer materials are used with more design efficiency.

Keywords: live laod, design, evaluation, structural building

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Authors: Lamla Thungathaa, Conrad Mahlasea, Lisa Ngcebesha

Abstract:

1,4-Diamino-3,6-dinitropyrazolo[4,3-c]pyrazole (LLM-119) and its structural isomer 3,6-dinitropyrazolo[3,4-c]pyrazole-1,4(6H)-diamine were designed by structural reorientation of the fused pyrazole rings and their respective substituents (-NO2 and -NH2). Structural reorientation involves structural rearrangement which result in different structural isomers, employing this approach, six structural isomers of LLM-119 were achieved. The effect of structural reorientation (isomerisation and derivatives) on the enthalpy of formation, detonation properties, impact sensitivity, and density of these molecules is studied Computationally. The computational method used are detailed in the document and they yielded results that are close to the literature values with a relative error of 2% for enthalpy of formation, 2% for density, 0.05% for detonation velocity, and 4% for detonation pressure. The correlation of the structural reorientation to the calculated thermochemical and detonation properties of the molecules indicated that molecules with a -NO2 group attached to a Carbon atom and -NH2 connected to a Nitrogen atom maximize the enthalpy of formation and detonation velocity. The joining of pyrazole molecules has less effect on these parameters. It was seen that density and detonation pressure improved when both –NO2 or -NH2 functional groups were on the same side of the molecular structure. The structural reorientation gave rise to 3,4-dinitropyrazolo[3,4-c]pyrazole-1,6-diamine which exhibited optimal density and detonation performance compared to other molecules.

Keywords: LLM-119, fused rings, azole, structural isomers, detonation properties

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Authors: Angel G. De Leon Hernandez

Abstract:

A structure is defined as a physical system or, in certain cases, an arrangement of connected elements, capable of bearing certain loads. The structures are presented in every part of the daily life, e.g., in the designing of buildings, vehicles and mechanisms. The main goal of a structure designer is to develop a secure, aesthetic and maintainable system, considering the constraint imposed to every case. With the advances in the technology during the last decades, the capabilities of solving engineering problems have increased enormously. Nowadays the computers, play a critical roll in the structural analysis, pitifully, for university students the vast majority of these software are inaccessible due to the high complexity and cost they represent, even when the software manufacturers offer student versions. This is exactly the reason why the idea of developing a more reachable and easy-to-use computing tool. This program is designed as a tool for the university students enrolled in courser related to the structures analysis and designs, as a complementary instrument to achieve a better understanding of this area and to avoid all the tedious calculations. Also, the program can be useful for graduated engineers in the field of structural design and analysis. A graphical user interphase is included in the program to make it even simpler to operate it and understand the information requested and the obtained results. In the present document are included the theoretical basics in which the program is based to solve the structural analysis, the logical path followed in order to develop the program, the theoretical results, a discussion about the results and the validation of those results.

Keywords: stiffness matrix method, structural analysis, Matlab® applications, programming

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