Search results for: structural materials
10012 Structural Characteristics of HPDSP Concrete on Beam Column Joints
Authors: Hari Krishan Sharma, Sanjay Kumar Sharma, Sushil Kumar Swar
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Inadequate transverse reinforcement is considered as the main reason for the beam column joint shear failure observed during recent earthquakes. DSP matrix consists of cement and high content of micro-silica with low water to cement ratio while the aggregates are graded quartz sand. The use of reinforcing fibres leads not only to the increase of tensile/bending strength and specific fracture energy, but also to reduction of brittleness and, consequently, to production of non-explosive ruptures. Besides, fibre-reinforced materials are more homogeneous and less sensitive to small defects and flaws. Recent works on the freeze-thaw durability (also in the presence of de-icing salts) of fibre-reinforced DSP confirm the excellent behaviour in the expected long term service life.DSP materials, including fibre-reinforced DSP and CRC (Compact Reinforced Composites) are obtained by using high quantities of super plasticizers and high volumes of micro-silica. Steel fibres with high tensile yield strength of smaller diameter and short length in different fibre volume percentage and aspect ratio tilized to improve the performance by reducing the brittleness of matrix material. In the case of High Performance Densified Small Particle Concrete (HPDSPC), concrete is dense at the micro-structure level, tensile strain would be much higher than that of the conventional SFRC, SIFCON & SIMCON. Beam-column sub-assemblages used as moment resisting constructed using HPDSPC in the joint region with varying quantities of steel fibres, fibre aspect ratio and fibre orientation in the critical section. These HPDSPC in the joint region sub-assemblages tested under cyclic/earthquake loading. Besides loading measurements, frame displacements, diagonal joint strain and rebar strain adjacent to the joint will also be measured to investigate stress-strain behaviour, load deformation characteristics, joint shear strength, failure mechanism, ductility associated parameters, stiffness and energy dissipated parameters of the beam column sub-assemblages also evaluated. Finally a design procedure for the optimum design of HPDSPC corresponding to moment, shear forces and axial forces for the reinforced concrete beam-column joint sub-assemblage proposed. The fact that the implementation of material brittleness measure in the design of RC structures can improve structural reliability by providing uniform safety margins over a wide range of structural sizes and material compositions well recognized in the structural design and research. This lead to the development of high performance concrete for the optimized combination of various structural ratios in concrete for the optimized combination of various structural properties. The structural applications of HPDSPC, because of extremely high strength, will reduce dead load significantly as compared to normal weight concrete thereby offering substantial cost saving and by providing improved seismic response, longer spans, and thinner sections, less reinforcing steel and lower foundation cost. These cost effective parameters will make this material more versatile for use in various structural applications like beam-column joints in industries, airports, parking areas, docks, harbours, and also containers for hazardous material, safety boxes and mould & tools for polymer composites and metals.Keywords: high performance densified small particle concrete (HPDSPC), steel fibre reinforced concrete (SFRC), slurry infiltrated concrete (SIFCON), Slurry infiltrated mat concrete (SIMCON)
Procedia PDF Downloads 30310011 Shock-Induced Densification in Glass Materials: A Non-Equilibrium Molecular Dynamics Study
Authors: Richard Renou, Laurent Soulard
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Lasers are widely used in glass material processing, from waveguide fabrication to channel drilling. The gradual damage of glass optics under UV lasers is also an important issue to be addressed. Glass materials (including metallic glasses) can undergo a permanent densification under laser-induced shock loading. Despite increased interest on interactions between laser and glass materials, little is known about the structural mechanisms involved under shock loading. For example, the densification process in silica glasses occurs between 8 GPa and 30 GPa. Above 30 GPa, the glass material returns to the original density after relaxation. Investigating these unusual mechanisms in silica glass will provide an overall better understanding in glass behaviour. Non-Equilibrium Molecular Dynamics simulations (NEMD) were carried out in order to gain insight on the silica glass microscopic structure under shock loading. The shock was generated by the use of a piston impacting the glass material at high velocity (from 100m/s up to 2km/s). Periodic boundary conditions were used in the directions perpendicular to the shock propagation to model an infinite system. One-dimensional shock propagations were therefore studied. Simulations were performed with the STAMP code developed by the CEA. A very specific structure is observed in a silica glass. Oxygen atoms around Silicon atoms are organized in tetrahedrons. Those tetrahedrons are linked and tend to form rings inside the structure. A significant amount of empty cavities is also observed in glass materials. In order to understand how a shock loading is impacting the overall structure, the tetrahedrons, the rings and the cavities were thoroughly analysed. An elastic behaviour was observed when the shock pressure is below 8 GPa. This is consistent with the Hugoniot Elastic Limit (HEL) of 8.8 GPa estimated experimentally for silica glasses. Behind the shock front, the ring structure and the cavity distribution are impacted. The ring volume is smaller, and most cavities disappear with increasing shock pressure. However, the tetrahedral structure is not affected. The elasticity of the glass structure is therefore related to a ring shrinking and a cavity closing. Above the HEL, the shock pressure is high enough to impact the tetrahedral structure. An increasing number of hexahedrons and octahedrons are formed with the pressure. The large rings break to form smaller ones. The cavities are however not impacted as most cavities are already closed under an elastic shock. After the material relaxation, a significant amount of hexahedrons and octahedrons is still observed, and most of the cavities remain closed. The overall ring distribution after relaxation is similar to the equilibrium distribution. The densification process is therefore related to two structural mechanisms: a change in the coordination of silicon atoms and a cavity closing. To sum up, non-equilibrium molecular dynamics were carried out to investigate silica behaviour under shock loading. Analysing the structure lead to interesting conclusions upon the elastic and the densification mechanisms in glass materials. This work will be completed with a detailed study of the mechanism occurring above 30 GPa, where no sign of densification is observed after the material relaxation.Keywords: densification, molecular dynamics simulations, shock loading, silica glass
Procedia PDF Downloads 22210010 Good Practices for Model Structure Development and Managing Structural Uncertainty in Decision Making
Authors: Hossein Afzali
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Increasingly, decision analytic models are used to inform decisions about whether or not to publicly fund new health technologies. It is well noted that the accuracy of model predictions is strongly influenced by the appropriateness of model structuring. However, there is relatively inadequate methodological guidance surrounding this issue in guidelines developed by national funding bodies such as the Australian Pharmaceutical Benefits Advisory Committee (PBAC) and The National Institute for Health and Care Excellence (NICE) in the UK. This presentation aims to discuss issues around model structuring within decision making with a focus on (1) the need for a transparent and evidence-based model structuring process to inform the most appropriate set of structural aspects as the base case analysis; (2) the need to characterise structural uncertainty (If there exist alternative plausible structural assumptions (or judgements), there is a need to appropriately characterise the related structural uncertainty). The presentation will provide an opportunity to share ideas and experiences on how the guidelines developed by national funding bodies address the above issues and identify areas for further improvements. First, a review and analysis of the literature and guidelines developed by PBAC and NICE will be provided. Then, it will be discussed how the issues around model structuring (including structural uncertainty) are not handled and justified in a systematic way within the decision-making process, its potential impact on the quality of public funding decisions, and how it should be presented in submissions to national funding bodies. This presentation represents a contribution to the good modelling practice within the decision-making process. Although the presentation focuses on the PBAC and NICE guidelines, the discussion can be applied more widely to many other national funding bodies that use economic evaluation to inform funding decisions but do not transparently address model structuring issues e.g. the Medical Services Advisory Committee (MSAC) in Australia or the Canadian Agency for Drugs and Technologies in Health.Keywords: decision-making process, economic evaluation, good modelling practice, structural uncertainty
Procedia PDF Downloads 18410009 Study of the Influence of Eccentricity Due to Configuration and Materials on Seismic Response of a Typical Building
Authors: A. Latif Karimi, M. K. Shrimali
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Seismic design is a critical stage in the process of design and construction of a building. It includes strategies for designing earthquake-resistant buildings to ensure health, safety, and security of the building occupants and assets. Hence, it becomes very important to understand the behavior of structural members precisely, for construction of buildings that can yield a better response to seismic forces. This paper investigates the behavior of a typical structure when subjected to ground motion. The corresponding mode shapes and modal frequencies are studied to interpret the response of an actual structure using different fabricated models and 3D visual models. In this study, three different structural configurations are subjected to horizontal ground motion, and the effect of “stiffness eccentricity” and placement of infill walls are checked to determine how each parameter contributes in a building’s response to dynamic forces. The deformation data from lab experiments and the analysis on SAP2000 software are reviewed to obtain the results. This study revealed that seismic response in a building can be improved by introducing higher deformation capacity in the building. Also, proper design of infill walls and maintaining a symmetrical configuration in a building are the key factors in building stability during the earthquake.Keywords: eccentricity, seismic response, mode shape, building configuration, building dynamics
Procedia PDF Downloads 20010008 Design, Analysis and Simulation of a Lightweight Fire-Resistant Door
Authors: Zainab Fadhil Al Toki, Nader Ghareeb
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This study investigates how lightweight a fire resistance door will perform with under types of insulation materials. Data is initially collected from various websites, scientific books and research papers. Results show that different layers of insulation in a single door can perform better than one insulator. Furthermore, insulation materials that are lightweight, high strength and low thermal conductivity are the most preferred for fire-rated doors. Whereas heavy weight, low strength, and high thermal conductivity are least preferred for fire resistance doors. Fire-rated door specifications, theoretical test methodology, structural analysis, and comparison between five different models with diverse layers insulations are presented. Five different door models are being investigated with different insulation materials and arrangements. Model 1 contains an air gap between door layers. Model 2 includes phenolic foam, mild steel and polyurethane. Model 3 includes phenolic foam and glass wool. Model 4 includes polyurethane and glass wool. Model 5 includes only rock wool between the door layers. It is noticed that model 5 is the most efficient model, and its design is simple compared to other models. For this model, numerical calculations are performed to check its efficiency and the results are compared to data from experiments for validation. Good agreement was noticed.Keywords: fire resistance, insulation, strength, thermal conductivity, lightweight, layers
Procedia PDF Downloads 5110007 Writing a Parametric Design Algorithm Based on Recreation and Structural Analysis of Patkane Model: The Case Study of Oshtorjan Mosque
Authors: Behnoush Moghiminia, Jesus Anaya Diaz
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The current study attempts to present the relationship between the structure development and Patkaneh as one of the Iranian geometric patterns and parametric algorithms by introducing two practical methods. While having a structural function, Patkaneh is also used as an ornamental element. It can be helpful in the scientific and practical review of Patkaneh. The current study aims to use Patkaneh as a parametric form generator based on the algorithm. The current paper attempts to express how can a more complete algorithm of this covering be obtained based on the parametric study and analysis of a sample of a Patkaneh and also investigate the relationship between the development of the geometrical pattern of Patkaneh as a structural-decorative element of Iranian architecture and digital design. In this regard, to achieve the research purposes, researchers investigated the oldest type of Patkaneh in the architecture history of Iran, such as the Northern Entrance Patkaneh of Oshtorjan Jame’ Mosque. An accurate investigation was done on the history of the background to answer the questions. Then, by investigating the structural behavior of Patkaneh, the decorative or structural-decorative role of Patkaneh was investigated to eliminate the ambiguity. Then, the geometrical structure of Patkaneh was analyzed by introducing two practical methods. The first method is based on the constituent units of Patkaneh (Square and diamond) and investigating the interactive relationships between them in 2D and 3D. This method is appropriate for cases where there are rational and regular geometrical relationships. The second method is based on the separation of the floors and the investigation of their interrelation. It is practical when the constituent units are not geometrically regular and have numerous diversity. Finally, the parametric form algorithm of these methods was codified.Keywords: geometric properties, parametric design, Patkaneh, structural analysis
Procedia PDF Downloads 15110006 Non Destructive Ultrasound Testing for the Determination of Elastic Characteristics of AlSi7Zn3Cu2Mg Foundry Alloy
Authors: A. Hakem, Y. Bouafia
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Characterization of materials used for various mechanical components is of great importance in their design. Several studies were conducted by various authors in order to improve their physical and/or chemical properties in general and mechanical or metallurgical properties in particular. The foundry alloy AlSi7Zn3Cu2Mg is one of the main components constituting the various mechanisms for the implementation of applications and various industrial projects. Obtaining a reliable product is not an easy task; several results proposed by different authors show sometimes results that can contradictory. Due to their high mechanical characteristics, these alloys are widely used in engineering. Silicon improves casting properties and magnesium allows heat treatment. It is thus possible to obtain various degrees of hardening and therefore interesting compromise between tensile strength and yield strength, on one hand, and elongation, on the other hand. These mechanical characteristics can be further enhanced by a series of mechanical treatments or heat treatments. Their light weight coupled with high mechanical characteristics, aluminum alloys are very much used in cars and aircraft industry. The present study is focused on the influence of heat treatments which cause significant micro structural changes, usually hardening by variation of annealing temperatures by increments of 10°C and 20°C on the evolution of the main elastic characteristics, the resistance, the ductility and the structural characteristics of AlSi7Zn3Cu2Mg foundry alloy cast in sand by gravity. These elastic properties are determined in three directions for each specimen of dimensions 200x150x20 mm³ by the ultrasonic method based on acoustic or elastic waves. The hardness, the micro hardness and the structural characteristics are evaluated by a non-destructive method. The aim of this work is to study the hardening ability of AlSi7Zn3Cu2Mg alloy by considering ten states. To improve the mechanical properties obtained with the raw casting, one should use heat treatment for structural hardening; the addition of magnesium is necessary to increase the sensitivity to this specific heat treatment: Treatment followed by homogenization which generates a diffusion of atoms in a substitution solid solution inside a hardening furnace at 500°C during 8h, followed immediately by quenching in water at room temperature 20 to 25°C, then an ageing process for 17h at room temperature and at different annealing temperature (150, 160, 170, 180, 190, 240, 200, 220 and 240°C) for 20h in an annealing oven. The specimens were allowed to cool inside the oven.Keywords: aluminum, foundry alloy, magnesium, mechanical characteristics, silicon
Procedia PDF Downloads 26410005 Identification of Damage Mechanisms in Interlock Reinforced Composites Using a Pattern Recognition Approach of Acoustic Emission Data
Authors: M. Kharrat, G. Moreau, Z. Aboura
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The latest advances in the weaving industry, combined with increasingly sophisticated means of materials processing, have made it possible to produce complex 3D composite structures. Mainly used in aeronautics, composite materials with 3D architecture offer better mechanical properties than 2D reinforced composites. Nevertheless, these materials require a good understanding of their behavior. Because of the complexity of such materials, the damage mechanisms are multiple, and the scenario of their appearance and evolution depends on the nature of the exerted solicitations. The AE technique is a well-established tool for discriminating between the damage mechanisms. Suitable sensors are used during the mechanical test to monitor the structural health of the material. Relevant AE-features are then extracted from the recorded signals, followed by a data analysis using pattern recognition techniques. In order to better understand the damage scenarios of interlock composite materials, a multi-instrumentation was set-up in this work for tracking damage initiation and development, especially in the vicinity of the first significant damage, called macro-damage. The deployed instrumentation includes video-microscopy, Digital Image Correlation, Acoustic Emission (AE) and micro-tomography. In this study, a multi-variable AE data analysis approach was developed for the discrimination between the different signal classes representing the different emission sources during testing. An unsupervised classification technique was adopted to perform AE data clustering without a priori knowledge. The multi-instrumentation and the clustered data served to label the different signal families and to build a learning database. This latter is useful to construct a supervised classifier that can be used for automatic recognition of the AE signals. Several materials with different ingredients were tested under various solicitations in order to feed and enrich the learning database. The methodology presented in this work was useful to refine the damage threshold for the new generation materials. The damage mechanisms around this threshold were highlighted. The obtained signal classes were assigned to the different mechanisms. The isolation of a 'noise' class makes it possible to discriminate between the signals emitted by damages without resorting to spatial filtering or increasing the AE detection threshold. The approach was validated on different material configurations. For the same material and the same type of solicitation, the identified classes are reproducible and little disturbed. The supervised classifier constructed based on the learning database was able to predict the labels of the classified signals.Keywords: acoustic emission, classifier, damage mechanisms, first damage threshold, interlock composite materials, pattern recognition
Procedia PDF Downloads 15510004 Structural Identification for Layered Composite Structures through a Wave and Finite Element Methodology
Authors: Rilwan Kayode Apalowo, Dimitrios Chronopoulos
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An approach for identifying the geometric and material characteristics of layered composite structures through an inverse wave and finite element methodology is proposed. These characteristics are obtained through multi-frequency single shot measurements. However, it is established that the frequency regime of the measurements does not matter, meaning that both ultrasonic and structural dynamics frequency spectra can be employed. Taking advantage of a full FE (finite elements) description of the periodic composite, the scheme is able to account for arbitrarily complex structures. In order to demonstrate the robustness of the presented scheme, it is applied to a sandwich composite panel and results are compared with that of experimental characterization techniques. Excellent agreement is obtained with the experimental measurements.Keywords: structural identification, non-destructive evaluation, finite elements, wave propagation, layered structures, ultrasound
Procedia PDF Downloads 14310003 Risk Based Inspection and Proactive Maintenance for Civil and Structural Assets in Oil and Gas Plants
Authors: Mohammad Nazri Mustafa, Sh Norliza Sy Salim, Pedram Hatami Abdullah
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Civil and structural assets normally have an average of more than 30 years of design life. Adding to this advantage, the assets are normally subjected to slow degradation process. Due to the fact that repair and strengthening work for these assets are normally not dependent on plant shut down, the maintenance and integrity restoration of these assets are mostly done based on “as required” and “run to failure” basis. However unlike other industries, the exposure in oil and gas environment is harsher as the result of corrosive soil and groundwater, chemical spill, frequent wetting and drying, icing and de-icing, steam and heat, etc. Due to this type of exposure and the increasing level of structural defects and rectification in line with the increasing age of plants, assets integrity assessment requires a more defined scope and procedures that needs to be based on risk and assets criticality. This leads to the establishment of risk based inspection and proactive maintenance procedure for civil and structural assets. To date there is hardly any procedure and guideline as far as integrity assessment and systematic inspection and maintenance of civil and structural assets (onshore) are concerned. Group Technical Solutions has developed a procedure and guideline that takes into consideration credible failure scenario, assets risk and criticality from process safety and structural engineering perspective, structural importance, modeling and analysis among others. Detailed inspection that includes destructive and non-destructive tests (DT & NDT) and structural monitoring is also being performed to quantify defects, assess severity and impact on integrity as well as identify the timeline for integrity restoration. Each defect and its credible failure scenario is assessed against the risk on people, environment, reputation and production loss. This technical paper is intended to share on the established procedure and guideline and their execution in oil & gas plants. In line with the overall roadmap, the procedure and guideline will form part of specialized solutions to increase production and to meet the “Operational Excellence” target while extending service life of civil and structural assets. As the result of implementation, the management of civil and structural assets is now more systematically done and the “fire-fighting” mode of maintenance is being gradually phased out and replaced by a proactive and preventive approach. This technical paper will also set the criteria and pose the challenge to the industry for innovative repair and strengthening methods for civil & structural assets in oil & gas environment, in line with safety, constructability and continuous modification and revamp of plant facilities to meet production demand.Keywords: assets criticality, credible failure scenario, proactive and preventive maintenance, risk based inspection
Procedia PDF Downloads 40410002 Analysis of School Burnout and Academic Motivation through Structural Equation Modeling
Authors: Ismail Seçer
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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
Procedia PDF Downloads 32410001 Structural Performance Evaluation of Concrete Beams Reinforced with Recycled and Virgin Plastic Fibres
Authors: Vighnesh Daas, David B. Tann, Mahmood Datoo
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The incorporation of recycled plastic fibres in concrete as reinforcement is a potential sustainable alternative for replacement of ordinary steel bars. It provides a scope for waste reduction and re-use of plastics in the construction industry on a large scale. Structural use of fibre reinforced concrete is limited to short span members and low reliability classes. In this study, recycled carpet fibres made of 95% polypropylene with length of 45mm were used for experimental investigations. The performance of recycled polypropylene fibres under structural loading has been compared with commercially available virgin fibres at low volume fractions of less than 1%. A series of 100 mm cubes and 125x200x2000 mm beams were used to conduct strength tests in bending and compression to measure the influence of type and volume of fibres on the structural behaviour of fibre reinforced concrete beams. The workability of the concrete mix decreased as a function of fibre content and resulted in a modification of the mix design. The beams failed in a pseudo-ductile manner with an enhanced bending capacity. The specimens showed significant improvement in the post-cracking behaviour and load carrying ability as compared to conventional reinforced concrete members. This was associated to the binding properties of the fibres in the concrete matrix. With the inclusion of fibres at low volumes of 0-0.5%, there was reduction in crack sizes and deflection. This study indicates that the inclusion of recycled polypropylene fibres at low volumes augments the structural behaviour of concrete as compared to conventional reinforced concrete as well as virgin fibre reinforced concrete.Keywords: fibre reinforced concrete, polypropylene, recycled, strength
Procedia PDF Downloads 24710000 Analyzing Students' Writing in an English Code-Mixing Context in Nepali: An Ecological and Systematic Functional Approach
Authors: Binod Duwadi
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This article examines the language and literacy practices of English Code-mixing in Nepalese Classroom. Situating the study within an ecological framework, a systematic functional linguistic (SFL) approach was used to analyze students writing in two Neplease schools. Data collection included interviews with teachers, classroom observations, instructional materials, and focal students’ writing samples. Data analyses revealed vastly different language ecologies between the schools owing to sharp socioeconomic stratification, the structural organization of schools, and the pervasiveness of standard language ideology, with stigmatizes English code mixing (ECM) and privileges Standard English in schools. Functional analysis of students’ writing showed that the nature of the writing tasks at the schools created different affordances for exploiting lexicogrammatically choices for meaning making-enhancing them in the case of one school but severely restricting them in the case of another- perpetuating the academic disadvantage for code mixing speakers. Recommendations for structural and attitudinal changes through teacher training and implementation of approaches that engage students’ bidialectal competence for learning are made as important first steps towards addressing educational inequities in Nepalese schools.Keywords: code-mixing, ecological perspective, systematic functional approach, language and identity
Procedia PDF Downloads 1249999 Structural Analysis of Hydro-Turbine Head Cover Using Ansys
Authors: Surjit Angra, Manisha Kumari, Vinod Kumar
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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
Procedia PDF Downloads 5359998 Study of Mechanical Behavior of Unidirectional Composite Laminates According
Authors: Deliou Adel, Saadalah Younes, Belkaid Khmissi, Dehbi Meriem
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Composite materials, in the most common sense of the term, are a set of synthetic materials designed and used mainly for structural applications; the mechanical function is dominant. The mechanical behaviors of the composite, as well as the degradation mechanisms leading to its rupture, depend on the nature of the constituents and on the architecture of the fiber preform. The profile is required because it guides the engineer in designing structures with precise properties in relation to the needs. This work is about studying the mechanical behavior of unidirectional composite laminates according to different failure criteria. Varying strength parameter values make it possible to compare the ultimate mechanical characteristics obtained by the criteria of Tsai-Hill, Fisher and maximum stress. The laminate is subjected to uniaxial tensile membrane forces. Estimates of their ultimate strengths and the plotting of the failure envelope constitute the principal axis of this study. Using the theory of maximum stress, we can determine the various modes of damage of the composite. The different components of the deformation are presented for different orientations of fibers.Keywords: unidirectional kevlar/epoxy composite, failure criterion, membrane stress, deformations, failure envelope
Procedia PDF Downloads 889997 Resources and Strategies towards the Development of a Sustainable Construction Materials Industry in Botswana
Authors: G. Malumbela, E. U. Masuku
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The economy of Botswana has increased extensively since its independence. In contrast to this increase, the construction industry which is one of the key indicators of a developing nation continues to be highly dependent on imported building material products from the neighbouring countries of South Africa, Namibia, Zimbabwe, and Zambia. Only two companies in the country currently blend cement. Even then, the overwhelming majority of raw materials used in the blends are imported. Furthermore, there are no glass manufacturers in Botswana. The ceramic industry is limited to the manufacture of clay bricks notwithstanding a few studios on crockery and sanitary ware which nonetheless use imported clay. This paper presents natural resources and industrial waste products in Botswana that can be used for the development of sustainable building materials. It also investigates at the distribution and cost of other widely used building materials in the country. Finally, the present paper looks at projects and national strategies aimed at a country-wide development of a sustainable building materials industry together with their successes and hitches.Keywords: Botswana construction industry, construction materials, natural resources, sustainable materials
Procedia PDF Downloads 3019996 Systematic Study of Mutually Inclusive Influence of Temperature and Substitution on the Coordination Geometry of Co(II) in a Series of Coordination Polymer and Their Properties
Authors: Manasi Roy, Raju Mondal
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During last two decades the synthesis and design of MOFs or novel coordination polymers (CPs) has flourished as an emerging area of research due to their role as functional materials. Accordingly, ten new cobalt-based MOFs have been synthesized using a simple bispyrazole ligand, 4,4′-methylene-bispyrazole (H2MBP), and isophthalic acid (H2IPA) and its four 5-substituted derivatives R-H2IPA (R = COOH, OH, tBu, NH2). The major aim of this study was to validate the mutual influence of temperature and substitutions on the final structural self-assembly. Five different isophthalic acid derivatives were used to study the influence of substituents while each reaction was carried out at two different temperatures to assess the temperature effect. A clear correlation was observed between the reaction temperature and the coordination number of the cobalt atoms which consequently changes the self assembly pattern. Another fact that the periodical change in coordination number did bring about some systematic changes in the structural network via secondary building unit selectivity. With the presence of a tunable cavity inside the network, and unsaturated metal centers, MOFs show highly encouraging photocatalytic degradation of toxic dye with a potential application in waste water purification. Another fascinating aspect of this work is the construction of magnetic coordination polymers with the occurrence of a not-so-common MCE behavior of cobalt-based MOF.Keywords: MOFs, temperature effect, MCE, dye degradation
Procedia PDF Downloads 1369995 Evaluation of Expected Annual Loss Probabilities of RC Moment Resisting Frames
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
Procedia PDF Downloads 3979994 Mechanistic Structural Insights into the UV Induced Apoptosis via Bcl-2 proteins
Authors: Akash Bera, Suraj Singh, Jacinta Dsouza, Ramakrishna V. Hosur, Pushpa Mishra
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Ultraviolet C (UVC) radiation induces apoptosis in mammalian cells and it is suggested that the mechanism by which this occurs is the mitochondrial pathway of apoptosis through the release of cytochrome c from the mitochondria into the cytosol. The Bcl-2 family of proteins pro-and anti-apoptotic is the regulators of the mitochondrial pathway of apoptosis. Upon UVC irradiation, the proliferation of apoptosis is enhanced through the downregulation of the anti-apoptotic protein Bcl-xl and up-regulation of Bax. Although the participation of the Bcl-2 family of proteins in apoptosis appears responsive to UVC radiation, to the author's best knowledge, it is unknown how the structure and, effectively, the function of these proteins are directly impacted by UVC exposure. In this background, we present here a structural rationale for the effect of UVC irradiation in restoring apoptosis using two of the relevant proteins, namely, Bid-FL and Bcl-xl ΔC, whose solution structures have been reported previously. Using a variety of biophysical tools such as circular dichroism, fluorescence and NMR spectroscopy, we show that following UVC irradiation, the structures of Bcl-xlΔC and Bid-FL are irreversibly altered. Bcl-xLΔC is found to be more sensitive to UV exposure than Bid-FL. From the NMR data, dramatic structural perturbations (α-helix to β-sheet) are seen to occur in the BH3 binding region, a crucial segment of Bcl-xlΔC which impacts the efficacy of its interactions with pro-apoptotic tBid. These results explain the regulation of apoptosis by UVC irradiation. Our results on irradiation dosage dependence of the structural changes have therapeutic potential for the treatment of cancer.Keywords: Bid, Bcl-xl, UVC, apoptosis
Procedia PDF Downloads 1279993 Multifield Problems in 3D Structural Analysis of Advanced Composite Plates and Shells
Authors: Salvatore Brischetto, Domenico Cesare
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Major improvements in future aircraft and spacecraft could be those dependent on an increasing use of conventional and unconventional multilayered structures embedding composite materials, functionally graded materials, piezoelectric or piezomagnetic materials, and soft foam or honeycomb cores. Layers made of such materials can be combined in different ways to obtain structures that are able to fulfill several structural requirements. The next generation of aircraft and spacecraft will be manufactured as multilayered structures under the action of a combination of two or more physical fields. In multifield problems for multilayered structures, several physical fields (thermal, hygroscopic, electric and magnetic ones) interact each other with different levels of influence and importance. An exact 3D shell model is here proposed for these types of analyses. This model is based on a coupled system including 3D equilibrium equations, 3D Fourier heat conduction equation, 3D Fick diffusion equation and electric and magnetic divergence equations. The set of partial differential equations of second order in z is written using a mixed curvilinear orthogonal reference system valid for spherical and cylindrical shell panels, cylinders and plates. The order of partial differential equations is reduced to the first one thanks to the redoubling of the number of variables. The solution in the thickness z direction is obtained by means of the exponential matrix method and the correct imposition of interlaminar continuity conditions in terms of displacements, transverse stresses, electric and magnetic potentials, temperature, moisture content and transverse normal multifield fluxes. The investigated structures have simply supported sides in order to obtain a closed form solution in the in-plane directions. Moreover, a layerwise approach is proposed which allows a 3D correct description of multilayered anisotropic structures subjected to field loads. Several results will be proposed in tabular and graphical formto evaluate displacements, stresses and strains when mechanical loads, temperature gradients, moisture content gradients, electric potentials and magnetic potentials are applied at the external surfaces of the structures in steady-state conditions. In the case of inclusions of piezoelectric and piezomagnetic layers in the multilayered structures, so called smart structures are obtained. In this case, a free vibration analysis in open and closed circuit configurations and a static analysis for sensor and actuator applications will be proposed. The proposed results will be useful to better understand the physical and structural behaviour of multilayered advanced composite structures in the case of multifield interactions. Moreover, these analytical results could be used as reference solutions for those scientists interested in the development of 3D and 2D numerical shell/plate models based, for example, on the finite element approach or on the differential quadrature methodology. The correct impositions of boundary geometrical and load conditions, interlaminar continuity conditions and the zigzag behaviour description due to transverse anisotropy will be also discussed and verified.Keywords: composite structures, 3D shell model, stress analysis, multifield loads, exponential matrix method, layer wise approach
Procedia PDF Downloads 679992 Assessment of the Properties of Microcapsules with Different Polymeric Shells Containing a Reactive Agent for their Suitability in Thermoplastic Self-healing Materials
Authors: Małgorzata Golonka, Jadwiga Laska
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Self-healing polymers are one of the most investigated groups of smart materials. As materials engineering has recently focused on the design, production and research of modern materials and future technologies, researchers are looking for innovations in structural, construction and coating materials. Based on available scientific articles, it can be concluded that most of the research focuses on the self-healing of cement, concrete, asphalt and anticorrosion resin coatings. In our study, a method of obtaining and testing the properties of several types of microcapsules for use in self-healing polymer materials was developed. A method to obtain microcapsules exhibiting various mechanical properties, especially compressive strength was developed. The effect was achieved by using various polymer materials to build the shell: urea-formaldehyde resin (UFR), melamine-formaldehyde resin (MFR), melamine-urea-formaldehyde resin (MUFR). Dicyclopentadiene (DCPD) was used as the core material due to the possibility of its polymerization according to the ring-opening olefin metathesis (ROMP) mechanism in the presence of a solid Grubbs catalyst showing relatively high chemical and thermal stability. The ROMP of dicyclopentadiene leads to a polymer with high impact strength, high thermal resistance, good adhesion to other materials and good chemical and environmental resistance, so it is potentially a very promising candidate for the self-healing of materials. The capsules were obtained by condensation polymerization of formaldehyde with urea, melamine or copolymerization with urea and melamine in situ in water dispersion, with different molar ratios of formaldehyde, urea and melamine. The fineness of the organic phase dispersed in water, and consequently the size of the microcapsules, was regulated by the stirring speed. In all cases, to establish such synthesis conditions as to obtain capsules with appropriate mechanical strength. The microcapsules were characterized by determining the diameters and their distribution and measuring the shell thickness using digital optical microscopy and scanning electron microscopy, as well as confirming the presence of the active substance in the core by FTIR and SEM. Compression tests were performed to determine mechanical strength of the microcapsules. The highest repeatability of microcapsule properties was obtained for UFR resin, while the MFR resin had the best mechanical properties. The encapsulation efficiency of MFR was much lower compared to UFR, though. Therefore, capsules with a MUFR shell may be the optimal solution. The chemical reaction between the active substance present in the capsule core and the catalyst placed outside the capsules was confirmed by FTIR spectroscopy. The obtained autonomous repair systems (microcapsules + catalyst) were introduced into polyethylene in the extrusion process and tested for the self-repair of the material.Keywords: autonomic self-healing system, dicyclopentadiene, melamine-urea-formaldehyde resin, microcapsules, thermoplastic materials
Procedia PDF Downloads 459991 Microstructural and Magnetic Properties of Ni50Mn39Sn11 and Ni50Mn36Sn14 Heusler Alloys
Authors: Mst Nazmunnahar, Juan del Val, Alena Vimmrova, Blanca Hernando, Julian González
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We report the microstructural and magnetic properties of Ni50Mn39Sn11 and Ni50Mn36Sn14 ribbon Heusler alloys. Experimental results were obtained by differential scanning calorymetry, X-ray diffraction and vibrating sample magnetometry techniques. The Ni-Mn-Sn system undergoes a martensitic structural transformation in a wide temperature range. For example, for Ni50Mn39Sn11 the start and finish temperatures of the martensitic and austenite phase transformation for ribbon alloy were Ms = 336K , Mf = 328K, As = 335K and Af = 343K whereas no structural transformation is observed for Ni50Mn36Sn14 alloys. Magnetic measurements show the typical ferromagnetic behavior with Curie temperature 207K at low applied field of 50 Oe. The complex behavior exhibited by these Heusler alloys should be ascribed to the strong coupling between magnetism and structure, being their magnetic behavior determined by the distance between Mn atoms.Keywords: as-cast ribbon, Heusler alloys, magnetic properties, structural transformation
Procedia PDF Downloads 4569990 Structural Damage Detection via Incomplete Model Data Using Output Data Only
Authors: Ahmed Noor Al-qayyim, Barlas Özden Çağlayan
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Structural failure is caused mainly by damage that often occurs on structures. Many researchers focus on obtaining very efficient tools to detect the damage in structures in the early state. In the past decades, a subject that has received considerable attention in literature is the damage detection as determined by variations in the dynamic characteristics or response of structures. This study presents a new damage identification technique. The technique detects the damage location for the incomplete structure system using output data only. The method indicates the damage based on the free vibration test data by using “Two Points - Condensation (TPC) technique”. This method creates a set of matrices by reducing the structural system to two degrees of freedom systems. The current stiffness matrices are obtained from optimization of the equation of motion using the measured test data. The current stiffness matrices are compared with original (undamaged) stiffness matrices. High percentage changes in matrices’ coefficients lead to the location of the damage. TPC technique is applied to the experimental data of a simply supported steel beam model structure after inducing thickness change in one element. Where two cases are considered, the method detects the damage and determines its location accurately in both cases. In addition, the results illustrate that these changes in stiffness matrix can be a useful tool for continuous monitoring of structural safety using ambient vibration data. Furthermore, its efficiency proves that this technique can also be used for big structures.Keywords: damage detection, optimization, signals processing, structural health monitoring, two points–condensation
Procedia PDF Downloads 3659989 Structural Optimization Using Catenary and Other Natural Shapes
Authors: Mitchell Gohnert
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This paper reviews some fundamental concepts of structural optimization, which is focused on the shape of the structure. Bending stresses produce high peak stresses at each face of the member, and therefore, substantially more material is required to resist bending. The shape of the structure has a profound effect on stress levels. Stress may be reduced dramatically by simply changing the shape to accommodate natural stress flow. The main objective of structural optimization is to direct the thrust line along the axis of the member. Optimal shapes include the catenary arch or dome, triangular shapes, and columns. If the natural flow of stress matches the shape of the structures, the most optimal shape is determined. Structures, however, must resist multiple load patterns. An optimal shape is still possible by ensuring that the thrust lines fall within the middle third of the member.Keywords: optimization, natural structures, shells, catenary, domes, arches
Procedia PDF Downloads 439988 The Role of Structural Poverty in the Know-How and Moral Economy of Doctors in Africa: An Anthropological Perspective
Authors: Isabelle Gobatto
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Based on an anthropological approach, this paper explores the medical profession and the construction of medical practices by considering the multiform articulations between structural poverty and the production of care from a low-resource francophone West African country, Burkina Faso. This country is considered in its exemplary dimension of culturally differentiated countries of the African continent that share the same situation of structural poverty. The objective is to expose the effects of structural poverty on the ways of constructing professional knowledge and thinking about the sense of the medical profession. If doctors are trained to have the same capacities in South and West countries, which are to treat and save lives whatever the cultural contexts of the practice of medicine, the ways of investing their role and of dealing with this context of action fracture the homogenization of the medical profession. In the line of anthropology of biomedicine, this paper outlines the complex effects of structural poverty on health care, care relations, and the moral economy of doctors. The materials analyzed are based on an ethnography including two temporalities located thirty years apart (1990-1994 and 2020-2021), based on long-term observations of care practices conducted in healthcare institutions, interviews coupled with the life histories of physicians. The findings reveal that disabilities faced by doctors to deliver care are interpreted as policy gaps, but they are also considered by physicians as constitutive of the social and cultural characteristics of patients, making their capacities and incapacities in terms of accompanying caregivers in the production of care. These perceptions have effects on know-how, structured around the need to act even when diagnoses are not made so as not to see patients desert health structures if the costs of care are too high for them. But these interpretations of highly individualizing dimensions of these difficulties place part of the blame on patients for the difficulties in using learned knowledge and delivering effective care. These situations challenge the ethics of caregivers but also of ethnologists. Firstly because the interpretations of disabilities prevent caregivers from considering vulnerabilities of care as constituting a common condition shared with their patients in these health systems, affecting them in an identical way although in different places in the production of care. Correlatively, these results underline that these professional conceptions prevent the emergence of a figure of victim, which could be shared between patients and caregivers who, together, undergo working and care conditions at the limit of the acceptable. This dimension directly involves politics. Secondly, structural poverty and its effects on care challenge the ethics of the anthropologist who observes caregivers producing, without intent to arm, experiences of care marked by an ordinary violence, by not giving them the care they need. It is worth asking how anthropologists could get doctors to think in this light in west-African societies.Keywords: Africa, care, ethics, poverty
Procedia PDF Downloads 699987 Enhanced Magnetoelastic Response near Morphotropic Phase Boundary in Ferromagnetic Materials: Experimental and Theoretical Analysis
Authors: Murtaza Adil, Sen Yang, Zhou Chao, Song Xiaoping
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The morphotropic phase boundary (MPB) recently has attracted constant interest in ferromagnetic systems for obtaining enhanced large magnetoelastic response. In the present study, structural and magnetoelastic properties of MPB involved ferromagnetic Tb1-xGdxFe2 (0≤x≤1) system has been investigated. The change of easy magnetic direction from <111> to <100> with increasing x up MPB composition of x=0.9 is detected by step-scanned [440] synchrotron X-ray diffraction reflections. The Gd substitution for Tb changes the composition for the anisotropy compensation near MPB composition of x=0.9, which was confirmed by the analysis of detailed scanned XRD, magnetization curves and the calculation of the first anisotropy constant K1. The spin configuration diagram accompanied with different crystal structures for Tb1-xGdxFe2 was designed. The calculated first anisotropy constant K1 shows a minimum value at MPB composition of x=0.9. In addition, the large ratio between magnetostriction, and the absolute values of the first anisotropy constant │λS∕K1│ appears at MPB composition, which makes it a potential material for magnetostrictive application. Based on experimental results, a theoretically approach was also proposed to signify that the facilitated magnetization rotation and enhanced magnetoelastic effect near MPB composition are a consequence of the anisotropic flattening of free energy of ferromagnetic crystal. Our work specifies the universal existence of MPB in ferromagnetic materials which is important for substantial improvement of magnetic and magnetostrictive properties and may provide a new route to develop advanced functional materials.Keywords: free energy, magnetic anisotropy, magnetostriction, morphotropic phase boundary (MPB)
Procedia PDF Downloads 2759986 Aeroelastic Analysis of Nonlinear All-Movable Fin with Freeplay in Low-Speed
Authors: Laith K. Abbas, Xiaoting Rui, Pier Marzocca
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Aerospace systems, generally speaking, are inherently nonlinear. These nonlinearities may modify the behavior of the system. However, nonlinearities in an aeroelastic system can be divided into structural and aerodynamic. Structural nonlinearities can be subdivided into distributed and concentrated ones. Distributed nonlinearities are spread over the whole structure representing the characteristic of materials and large motions. Concentrated nonlinearities act locally, representing loose of attachments, worn hinges of control surfaces, and the presence of external stores. The concentrated nonlinearities can be approximated by one of the classical structural nonlinearities, namely, cubic, free-play and hysteresis, or by a combination of these, for example, a free-play and a cubic one. Compressibility, aerodynamic heating, separated flows and turbulence effects are important aspects that result in nonlinear aerodynamic behavior. An issue related to the low-speed flutter and its catastrophic/benign character represented by Limit Cycle Oscillation (LCO) of all-movable fin, as well to their control is addressed in the present work. To the approach of this issue: (1) Quasi-Steady (QS) Theory and Computational Fluid Dynamics (CFD) of subsonic flow are implemented, (2) Flutter motion equations of a two-dimensional typical section with cubic nonlinear stiffness in the pitching direction and free play gap are established, (3) Uncoupled bending/torsion frequencies of the selected fin are computed using recently developed Transfer Matrix Method of Multibody System Dynamics (MSTMM), and (4) Time simulations are carried out to study the bifurcation behavior of the aeroelastic system. The main objective of this study is to investigate how the LCO and chaotic behavior are influenced by the coupled aeroelastic nonlinearities and intend to implement a control capability enabling one to control both the flutter boundary and its character. By this way, it may expand the operational envelop of the aerospace vehicle without failure.Keywords: aeroelasticity, CFD, MSTMM, flutter, freeplay, fin
Procedia PDF Downloads 3699985 On the Homology Modeling, Structural Function Relationship and Binding Site Prediction of Human Alsin Protein
Authors: Y. Ruchi, A. Prerna, S. Deepshikha
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Amyotrophic lateral sclerosis (ALS), also known as “Lou Gehrig’s disease”. It is a neurodegenerative disease associated with degeneration of motor neurons in the cerebral cortex, brain stem, and spinal cord characterized by distal muscle weakness, atrophy, normal sensation, pyramidal signs and progressive muscular paralysis reflecting. ALS2 is a juvenile autosomal recessive disorder, slowly progressive, that maps to chromosome 2q33 and is associated with mutations in the alsin gene, a putative GTPase regulator. In this paper we have done homology modeling of alsin2 protein using multiple templates (3KCI_A, 4LIM_A, 402W_A, 4D9S_A, and 4DNV_A) designed using the Prime program in Schrödinger software. Further modeled structure is used to identify effective binding sites on the basis of structural and physical properties using sitemap program in Schrödinger software, structural and function analysis is done by using Prosite and ExPASy server that gives insight into conserved domains and motifs that can be used for protein classification. This paper summarizes the structural, functional and binding site property of alsin2 protein. These binding sites can be potential drug target sites and can be used for docking studies.Keywords: ALS, binding site, homology modeling, neuronal degeneration
Procedia PDF Downloads 3899984 Molecular Dynamics Simulations of the Structural, Elastic and Thermodynamic Properties of Cubic GaBi
Authors: M. Zemouli, K. Amara, M. Elkeurti, Y. Benallou
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We present the molecular dynamic simulations results of the structural and dynamical properties of the zinc-blende GaBi over a wide range of temperature (300-1000) K. Our simulation where performed in the framework of the three-body Tersoff potential, which accurately reproduces the lattice constants and elastic constants of the GaBi. A good agreement was found between our calculated results and the available theoretical data of the lattice constant, the bulk modulus and the cohesive energy. Our study allows us to predict the thermodynamic properties such as the specific heat and the lattice thermal expansion. In addition, this method allows us to check its ability to predict the phase transition of this compound. In particular, the transition pressure to the rock-salt phase is calculated and the results are compared with other available works.Keywords: Gallium compounds, molecular dynamics simulations, interatomic potential thermodynamic properties, structural phase transition
Procedia PDF Downloads 4459983 Structural Fluxionality of Luminescent Coordination Compounds with Lanthanide Ions
Authors: Juliana A. B. Silva, Caio H. T. L. Albuquerque, Leonardo L. dos Santos, Cristiane K. Oliveira, Ivani Malvestiti, Fernando Hallwass, Ricardo L. Longo
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Complexes with lanthanide ions have been extensively studied due to their applications as luminescent, magnetic and catalytic materials as molecular or extended crystals, thin films, glasses, polymeric matrices, ionic liquids, and in solution. NMR chemical shift data in solution have been reported and suggest fluxional structures in a wide range of coordination compounds with rare earth ions. However, the fluxional mechanisms for these compounds are still not established. This structural fluxionality may affect the photophysical, catalytic and magnetic properties in solution. Thus, understanding the structural interconversion mechanisms may aid the design of coordination compounds with, for instance, improved (electro)luminescence, catalytic and magnetic behaviors. The [Eu(btfa)₃bipy] complex, where btfa= 4,4,4-trifluoro-1-phenyl-1,3-butanedionate and bipy= 2,2’-bipiridyl, has a well-defined X-ray crystallographic structure and preliminary 1H NMR data suggested a structural fluxionality. Thus, we have investigated a series of coordination compounds with lanthanide ions [Ln(btfa)₃L], where Ln = La, Eu, Gd or Yb and L= bipy or phen (phen=1,10-phenanthroline) using a combined theoretical-experimental approach. These complexes were synthesized and fully characterized, and detailed NMR measurements were obtained. They were also studied by quantum chemical computational methods (DFT-PBE0). The aim was to determine the relevant factors in the structure of these compounds that favor or not the fluxional behavior. Measurements of the 1H NMR signals at variable temperature in CD₂Cl₂ of the [Eu(btfa)₃L] complexes suggest that these compounds have a fluxional structure, because the crystal structure has non-equivalent btfa ligands that should lead to non-equivalent hydrogen atoms and thus to more signals in the NMR spectra than those obtained at room temperature, where all hydrogen atoms of the btfa ligands are equivalent, and phen ligand has an effective vertical symmetry plane. For the [Eu(btfa)₃bipy] complex, the broadening of the signals at –70°C provides a lower bound for the coalescence temperature, which indicates the energy barriers involved in the structural interconversion mechanisms are quite small. These barriers and, consequently, the coalescence temperature are dependent upon the radii of the lanthanide ion as well as to their paramagnetic effects. The PBE0 calculated structures are in very good agreement with the crystallographic data and, for the [Eu(btfa)₃bipy] complex, this method provided several distinct structures with almost the same energy. However, the energy barrier for structural interconversion via dissociative pathways were found to be quite high and could not explain the experimental observations. Whereas the pseudo-rotation pathways, involving the btfa and bipy ligands, have very small activation barriers, in excellent agreement with the NMR data. The results also showed an increase in the activation barrier along the lanthanide series due to the decrease of the ionic radii and consequent increase of the steric effects. TD-DFT calculations showed a dependence of the ligand donor state energy with different structures of the complex [Eu(btfa)₃phen], which can affect the energy transfer rates and the luminescence. The energy required to promote the structural fluxionality may also enhance the luminescence quenching in solution. These results can aid in the design of more luminescent compounds and more efficient devices.Keywords: computational chemistry, lanthanide-based compounds, NMR, structural fluxionality
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