Search results for: structural and magnetic properties
Commenced in January 2007
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Edition: International
Paper Count: 12703

Search results for: structural and magnetic properties

11353 Barclays Bank Zambia: Considerations for Raft Foundation Design on Dolomite Land

Authors: Yashved Serhun, Kim A. Timm

Abstract:

Barclays Bank has identified the need for a head office building in Lusaka, Zambia, and construction of a 7200 m2 three-storey reinforced concrete office building with a structural steel roof is currently underway. A unique characteristic of the development is that the building footprint is positioned on dolomitic land. Dolomite rock has the tendency to react with and breakdown in the presence of slightly acidic water, including rainwater. This leads to a potential for subsidence and sinkhole formation. Subsidence and the formation of sinkholes beneath a building can be detrimental during both the construction and operational phases. This paper outlines engineering principles which were considered during the structural design of the raft foundation for the Barclays head office building. In addition, this paper includes multidisciplinary considerations and the impact of these on the structural engineering design of the raft foundation. By ensuring that the design of raft foundations on dolomitic land incorporates the requirements of all disciplines and relevant design codes during the design process, the risk associated with subsidence and sinkhole formation can be effectively mitigated during the operational phase of the building.

Keywords: dolomite, dolomitic land, raft foundation, structural engineering design

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11352 Effects of Thermal Radiation on Mixed Convection in a MHD Nanofluid Flow over a Stretching Sheet Using a Spectral Relaxation Method

Authors: Nageeb A. H. Haroun, Sabyasachi Mondal, Precious Sibanda

Abstract:

The effects of thermal radiation, Soret and Dufour parameters on mixed convection and nanofluid flow over a stretching sheet in the presence of a magnetic field are investigated. The flow is subject to temperature dependent viscosity and a chemical reaction parameter. It is assumed that the nanoparticle volume fraction at the wall may be actively controlled. The physical problem is modelled using systems of nonlinear differential equations which have been solved numerically using a spectral relaxation method. In addition to the discussion on heat and mass transfer processes, the velocity, nanoparticles volume fraction profiles as well as the skin friction coefficient are determined for different important physical parameters. A comparison of current findings with previously published results for some special cases of the problem shows an excellent agreement.

Keywords: non-isothermal wedge, thermal radiation, nanofluid, magnetic field, soret and dufour effects

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11351 Experimental and Numerical Investigation on Delaminated Composite Plate

Authors: Sreekanth T. G., Kishorekumar S., Sowndhariya Kumar J., Karthick R., Shanmugasuriyan S.

Abstract:

Composites are increasingly being used in industries due to their unique properties, such as high specific stiffness and specific strength, higher fatigue and wear resistances, and higher damage tolerance capability. Composites are prone to failures or damages that are difficult to identify, locate, and characterize due to their complex design features and complicated loading conditions. The lack of understanding of the damage mechanism of the composites leads to the uncertainties in the structural integrity and durability. Delamination is one of the most critical failure mechanisms in laminated composites because it progressively affects the mechanical performance of fiber-reinforced polymer composite structures over time. The identification and severity characterization of delamination in engineering fields such as the aviation industry is critical for both safety and economic concerns. The presence of delamination alters the vibration properties of composites, such as natural frequencies, mode shapes, and so on. In this study, numerical analysis and experimental analysis were performed on delaminated and non-delaminated glass fiber reinforced polymer (GFRP) plate, and the numerical and experimental analysis results were compared, and error percentage has been found out.

Keywords: composites, delamination, natural frequency, mode shapes

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11350 Synthesis and Properties of Sulfonate Gemini Surfactants with Amide Groups

Authors: Rui Wang, Shanfa Tang, Yuanwu Dong, Siyao Wang, Zhaowen Jiang, Di Han

Abstract:

A sulfonate Gemini surfactant sodium N,N`-bis(tetradecanoyl) propanediamine dipropyl sulfonate (GNS-14) was synthesized from 1,3-propanediamine, tetradecanoyl chloride, and1,3-propanesulfonic lactone. GNS-14 was characterized by FT-IR, 1H NMR. The surface activity, interfacial activity, and emulsification properties of GNS-14 solution were systematically studied. The critical micelle concentration (CCMC) of GNS-14 surfactant was 0.056 mmol/L, and the surface tension (γCMC) was 18.2 mN/m; at 50℃, 0.5% GNS-14 solution can reduce the oil-water interfacial tension to 6.5×10−2 mN/m. GNS-14 has excellent surface activity, interfacial activity, and emulsifying properties.

Keywords: gemini surfactants, surface tension, low interfacial tension, emulsifying properties

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11349 Behaviour of Reinforced Concrete Infilled Frames under Seismic Loads

Authors: W. Badla

Abstract:

A significant portion of the buildings constructed in Algeria is structural frames with infill panels which are usually considered as non structural components and are neglected in the analysis. However, these masonry panels tend to influence the structural response. Thus, these structures can be regarded as seismic risk buildings, although in the Algerian seismic code there is little guidance on the seismic evaluation of infilled frame buildings. In this study, three RC frames with 2, 4, and 8 story and subjected to three recorded Algerian accelerograms are studied. The diagonal strut approach is adopted for modeling the infill panels and a fiber model is used to model RC members. This paper reports on the seismic evaluation of RC frames with brick infill panels. The results obtained show that the masonry panels enhance the load lateral capacity of the buildings and the infill panel configuration influences the response of the structures.

Keywords: seismic design, RC frames, infill panels, non linear dynamic analysis

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11348 Synthesis and Functionalization of MnFe₂O₄ Nano−Hollow Spheres for Optical and Catalytic Properties

Authors: Indranil Chakraborty, Kalyan Mandal

Abstract:

Herein, we synthesize MnFe₂O₄ nano−hollow spheres (NHSs) of average diameter 100 nm through a facile template free solvothermal process and carry out a time dependent morphological study to investigate their process of core excavation. Further, a surface engineering of as−synthesized MnFe₂O₄ NHSs has been executed with organic disodium tartrate dihydrate ligand and interestingly, the surface modified MnFe₂O₄ NHSs are found to capable of emerging multicolor fluorescence starting from blue, green to red. The magnetic measurements through vibrating sample magnetometer demonstrate that room temperature superparamagnetic nature of MnFe₂O₄ NHSs remains unaltered after surface modification. Moreover, functionalized MnFe₂O₄ NHSs are found to exhibit excellent reusable photocatalytic efficiency in the degradation of cationic dye, methylene blue with rate constant of 2.64×10−2 min.

Keywords: nano hollow sphere, tartrate modification, multiple fluorescence, catalytic property

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11347 Properties of Composite Materials Made from Surface Treated Particles from Annual Plants

Authors: Štěpán Hýsek, Petra Gajdačová, Milan Podlena

Abstract:

Annual plants are becoming more and more popular source of lignin and cellulose. In those days a lot of research is carried out in order to evaluate the possibility of utilization of fibres and particles from these plants in composite materials production. These lingo-cellulosic materials seem to be a great alternative to wood, however, due to waxy and silica layers on the surface of these stalks, one additional technological step is needed–erosion of the layers for the purpose of achieving better adhesion between particle and adhesive. In this research, we used several kinds of particle pre-treatment, in order to modify surface properties of these particles. Further, an adhesive was applied to the particles using laboratory blender and board were produced using laboratory press. Both physical and mechanical properties of boards were observed. It was found out that the surface modification of particles had statistically significant effect on properties of produced boards.

Keywords: annual plant, composites, mechanical properties, particleboard

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11346 Analytical Description of Disordered Structures in Continuum Models of Pattern Formation

Authors: Gyula I. Tóth, Shaho Abdalla

Abstract:

Even though numerical simulations indeed have a significant precursory/supportive role in exploring the disordered phase displaying no long-range order in pattern formation models, studying the stability properties of this phase and determining the order of the ordered-disordered phase transition in these models necessitate an analytical description of the disordered phase. First, we will present the results of a comprehensive statistical analysis of a large number (1,000-10,000) of numerical simulations in the Swift-Hohenberg model, where the bulk disordered (or amorphous) phase is stable. We will show that the average free energy density (over configurations) converges, while the variance of the energy density vanishes with increasing system size in numerical simulations, which suggest that the disordered phase is a thermodynamic phase (i.e., its properties are independent of the configuration in the macroscopic limit). Furthermore, the structural analysis of this phase in the Fourier space suggests that the phase can be modeled by a colored isotropic Gaussian noise, where any instant of the noise describes a possible configuration. Based on these results, we developed the general mathematical framework of finding a pool of solutions to partial differential equations in the sense of continuous probability measure, which we will present briefly. Applying the general idea to the Swift-Hohenberg model we show, that the amorphous phase can be found, and its properties can be determined analytically. As the general mathematical framework is not restricted to continuum theories, we hope that the proposed methodology will open a new chapter in studying disordered phases.

Keywords: fundamental theory, mathematical physics, continuum models, analytical description

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11345 An Experimental Study of Scalar Implicature Processing in Chinese

Authors: Liu Si, Wang Chunmei, Liu Huangmei

Abstract:

A prominent component of the semantic versus pragmatic debate, scalar implicature (SI) has been gaining great attention ever since it was proposed by Horn. The constant debate is between the structural and pragmatic approach. The former claims that generation of SI is costless, automatic, and dependent mostly on the structural properties of sentences, whereas the latter advocates both that such generation is largely dependent upon context, and that the process is costly. Many experiments, among which Katsos’s text comprehension experiments are influential, have been designed and conducted in order to verify their views, but the results are not conclusive. Besides, most of the experiments were conducted in English language materials. Katsos conducted one off-line and three on-line text comprehension experiments, in which the previous shortcomings were addressed on a certain extent and the conclusion was in favor of the pragmatic approach. We intend to test the results of Katsos’s experiment in Chinese scalar implicature. Four experiments in both off-line and on-line conditions to examine the generation and response time of SI in Chinese "yixie" (some) and "quanbu (dou)" (all) will be conducted in order to find out whether the structural or the pragmatic approach could be sustained. The study mainly aims to answer the following questions: (1) Can SI be generated in the upper- and lower-bound contexts as Katsos confirmed when Chinese language materials are used in the experiment? (2) Can SI be first generated, then cancelled as default view claimed or can it not be generated in a neutral context when Chinese language materials are used in the experiment? (3) Is SI generation costless or costly in terms of processing resources? (4) In line with the SI generation process, what conclusion can be made about the cognitive processing model of language meaning? Is it a parallel model or a linear model? Or is it a dynamic and hierarchical model? According to previous theoretical debates and experimental conflicts, presumptions could be made that SI, in Chinese language, might be generated in the upper-bound contexts. Besides, the response time might be faster in upper-bound than that found in lower-bound context. SI generation in neutral context might be the slowest. At last, a conclusion would be made that the processing model of SI could not be verified by either absolute structural or pragmatic approaches. It is, rather, a dynamic and complex processing mechanism, in which the interaction of language forms, ad hoc context, mental context, background knowledge, speakers’ interaction, etc. are involved.

Keywords: cognitive linguistics, pragmatics, scalar implicture, experimental study, Chinese language

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11344 Tetra Butyl Ammonium Cyanate Mediated Selective Synthesis of Sulfonyltriuret and Their Investigation towards Trypsin Protease Modulation

Authors: Amarjyoti Das Mahapatra, Umesh Kumar, Bhaskar Datta

Abstract:

A pseudo peptide can mimic the biological or structural properties of natural peptides. They have become an increasing attention in medicinal chemistry because of their interesting advantages like more bioavailability and less biodegradation than compare to the physiologically active native peptides which increase their therapeutic applications. Many biologically active compounds contain urea as functional groups, and they have improved pharmacokinetic properties because of their bioavailability and metabolic stability. Recently we have reported a single-step synthesis of sulfonyl urea and sulfonyltriuret from sulfonyl chloride and sodium cyanate. But the yield of sulfonyltriuret was less around 40-60% because of the formation of other products like sulfonamide and sulfonylureas. In the present work, we mainly focused on the selective synthesis of sulfonyltriuret using tetrabutylammonium cyanate and sulfonyl chloride. More precisely, we are interested in the controlled synthesis of oligomeric urea mainly sulfonyltriuret as a new class of pseudo peptide and their application as protease modulators. The distinctive architecture of these molecules in the form of their pseudo-peptide backbone offers promise as a potential pharmacophore. The synthesized molecules have been screened on trypsin enzyme, and we observed that these molecules are the efficient modulator of trypsin enzyme.

Keywords: pseudo peptide, pharmacophore, sulfonyltriuret, trypsin

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11343 Identification of Target Receptor Compound 10,11-Dihidroerisodin as an Anti-Cancer Candidate

Authors: Srie Rezeki Nur Endah, Richa Mardianingrum

Abstract:

Cancer is one of the most feared diseases and is considered the leading cause of death worldwide. Generally, cancer drugs are synthetic drugs with relatively more expensive prices and have harmful side effects, so many people turn to traditional medicine, for example by utilizing herbal medicine. Erythrina poeppigiana is one of the plants that can be used as a medicinal plant containing 10,11-dihidroerisodin compounds that are useful anticancer etnofarmakologi. The purpose of this study was to identify the target of 10,11 dihydroerisodin receptor compound as in silico anticancer candidate. The pure isolate was tested physicochemically by MS (Mass Spectrometry), UV-Vis (Ultraviolet – Visible), IR (Infra Red), 13C-NMR (Carbon-13 Nuclear Magnetic Resonance), 1H-NMR (Hydrogen-1 Nuclear Magnetic Resonance), to obtain the structure of 10,11-dihydroerisodin alkaloid compound then identified to target receptors in silico. From the results of the study, it was found that 10,11-dihydroerisodin compound can work on the Serine / threonine-protein kinase Chk1 receptor that serves as an anti-cancer candidate.

Keywords: anti-cancer, Erythrina poeppigiana, target receptor, 10, 11- dihidroerisodin

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11342 Structural Analysis of the Burkh Anticline in Fars Zone, in the Zagros Fold-Thrust Belt

Authors: A. Afroogh, R. Ramazani Omali, N. Hafezi Moghaddas, A. Nohegar

Abstract:

Burkh anticline is located in Southeast of Zagros fold-thrust belt in the Fars Province. Geometric analyses of the anticline have been carried out to estimate the closure of the Dehram Group in order to evaluate its potential for gas reservoirs. Geometric analyses of the Burkh anticline indicate that the fold geometry is rather similar to that of the detachment folds. Based on the data from the geometric analysis, seven structural cross section the anticlines are drawn and using the cross sections, a structural contour for Dehram Group is constructed. The calculated values for the anticline closure prohibits this structure as it is not an appropriate host to gas reservoirs.

Keywords: Burkh anticline, Zagros fold-thrust belt, geometric analyses, vertical and horizontal closure, Dehram group

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11341 Influence of BaTiO₃ on the Biological Behaviour of Hydroxyapatite: Collagen Composites

Authors: Cristina Busuioc, Georgeta Voicu, Sorin-Ion Jinga

Abstract:

The human bone presents in its dry form piezoelectric properties, which means that a mechanical stress results in electric polarization and an applied electric field causes strain. The immediate consequence was the revealing of piezoelectricity role in bone remodelling, as well as the integration of ceramic materials with piezoelectric behaviour in the composition of unitary or composite biomaterials. Thus, we prepared hydroxyapatite - collagen hybrid materials with barium titanate addition in order to achieve a better osseointegration. Barium titanate powder synthesized by a combined sol-gel-hydrothermal method, commercial hydroxyapatite and laboratory extracted collagen gel were employed as starting materials. Before the composites, fabrication, the powder with piezoelectric features was characterized in detail from the compositional, structural, morphological and electrical point of view. The next step was to elucidate the influence of barium titanate presence especially on the biological properties of the final materials. The biocompatibility of the hybrid supports without or with piezoelectric addition was investigated on mouse osteoblast cells through LDH cytotoxicity assay, LIVE/DEAD cell viability assay, and MTT cell proliferation assay. All results indicated that the analysed materials do not exert cytotoxic effects and present the ability to sustain cell survival and to promote their proliferation. In conclusion, barium titanate nanoparticles exhibit a good biocompatibility and osteoinductive properties, while the derived composite materials based on hydroxyapatite as oxide phase and collagen as polymeric phase can be successfully used for tissue engineering applications.

Keywords: barium titanate, hybrid composites, piezoelectricity, tissue engineering

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11340 The Role of Metal-Induced Gap States in the Superconducting Qubit Decoherence at Low-Dimension

Authors: Dominik Szczesniak, Sabre Kais

Abstract:

In the present communication, we analyze selected local aspects of the metal-induced gap states (MIGSs) that may be responsible for the magnetic flux noise in some of the superconducting qubit modalities at low-dimension. The presented theoretical analysis stems from the earlier bulk considerations and is aimed at further explanation of the decoherence effect by recognizing its universal character. Specifically, the analysis is carried out by using the complex band structure method for arbitrary low-dimensional junctions. This allows us to provide the most fundamental and general observations for the systems of interest. In particular, herein, we investigate in detail the MIGSs behavior in the momentum space as a function of the potential fluctuations and the electron-electron interaction magnitude at the interface. In what follows, this study is meant to provide a direct relationship between the MIGSs behavior, the discussed decoherence effect, and the intrinsic properties of the low-dimensional Josephson junctions.

Keywords: superconducting qubits, metal-induced gap states, decoherence, low-dimension

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11339 Influence of Nanomaterials on the Properties of Shape Memory Polymeric Materials

Authors: Katielly Vianna Polkowski, Rodrigo Denizarte de Oliveira Polkowski, Cristiano Grings Herbert

Abstract:

The use of nanomaterials in the formulation of polymeric materials modifies their molecular structure, offering an infinite range of possibilities for the development of smart products, being of great importance for science and contemporary industry. Shape memory polymers are generally lightweight, have high shape recovery capabilities, they are easy to process and have properties that can be adapted for a variety of applications. Shape memory materials are active materials that have attracted attention due to their superior damping properties when compared to conventional structural materials. The development of methodologies capable of preparing new materials, which use graphene in their structure, represents technological innovation that transforms low-cost products into advanced materials with high added value. To obtain an improvement in the shape memory effect (SME) of polymeric materials, it is possible to use graphene in its composition containing low concentration by mass of graphene nanoplatelets (GNP), graphene oxide (GO) or other functionalized graphene, via different mixture process. As a result, there was an improvement in the SME, regarding the increase in the values of maximum strain. In addition, the use of graphene contributes to obtaining nanocomposites with superior electrical properties, greater crystallinity, as well as resistance to material degradation. The methodology used in the research is Systematic Review, scientific investigation, gathering relevant studies on influence of nanomaterials on the properties of shape memory polymeric, using the literature database as a source and study methods. In the present study, a systematic reviewwas performed of all papers published from 2014 to 2022 regarding graphene and shape memory polymeric througha search of three databases. This study allows for easy identification of themost relevant fields of study with respect to graphene and shape memory polymeric, as well as the main gaps to beexplored in the literature. The addition of graphene showed improvements in obtaining higher values of maximum deformation of the material, attributed to a possible slip between stacked or agglomerated nanostructures, as well as an increase in stiffness due to the increase in the degree of phase separation that results in a greater amount physical cross-links, referring to the formation of shortrange rigid domains.

Keywords: graphene, shape memory, smart materials, polymers, nanomaterials

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11338 Deleterious SNP’s Detection Using Machine Learning

Authors: Hamza Zidoum

Abstract:

This paper investigates the impact of human genetic variation on the function of human proteins using machine-learning algorithms. Single-Nucleotide Polymorphism represents the most common form of human genome variation. We focus on the single amino-acid polymorphism located in the coding region as they can affect the protein function leading to pathologic phenotypic change. We use several supervised Machine Learning methods to identify structural properties correlated with increased risk of the missense mutation being damaging. SVM associated with Principal Component Analysis give the best performance.

Keywords: single-nucleotide polymorphism, machine learning, feature selection, SVM

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11337 Correlations Between Electrical Resistivity and Some Properties of Clayey Soils

Authors: F. A. Hassona, M. M. Abu-Heleika, M. A. Hassan, A. E. Sidhom

Abstract:

Application of electrical measurements to evaluate engineering properties of soils has gained a wide, promising field of research in recent years. So, understanding of the relation between in-situ electrical resistivity of clay soil, and their mechanical and physical properties consider a promising field of research. This would assist in introducing a new technique for the determination of soil properties based on electrical resistivity. In this work soil physical and mechanical properties of clayey soil have been determined by experimental tests and correlated with the in-situ electrical resistivity. The research program was conducted through measuring fifteen vertical electrical sounding stations along with fifteen selected boreholes. These samples were analyzed and subjected to experimental tests such as physical tests namely bulk density, water content, specific gravity, and grain size distribution, and Attereberg limits tests. Mechanical test was also conducted such as direct shear test. The electrical resistivity data were interpreted and correlated with each one of the measured experimental parameters. Based on this study mathematical relations were extracted and discussed. These results exhibit an excellent match with the results reported in the literature. This study demonstrates the utility of the developed methodology for determining the mechanical properties of soils easily and rapidly depending on their electrical resistivity measurements.

Keywords: electrical resistivity, clayey soil, physical properties, shear properties

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11336 Numerical Simulation of Convective Flow of Nanofluids with an Oriented Magnetic Field in a Half Circular-Annulus

Authors: M. J. Uddin, M. M. Rahman

Abstract:

The unsteady convective heat transfer flow of nanofluids in a half circular-annulus shape enclosure using nonhomogeneous dynamic model has been investigated numerically. The round upper wall of the enclosure is maintained at constant low temperature whereas the bottom wall is heated by three different thermal conditions. The enclosure is permeated by a uniform magnetic field having variable orientation. The Brownian motion and thermophoretic phenomena of the nanoparticles are taken into account in model construction. The governing nonlinear momentum, energy, and concentration equations are solved numerically using Galerkin weighted residual finite element method. To discover the best performer, the average Nusselt number is demonstrated for different types of nanofluids. The heat transfer rate for different flow parameters, positions of the annulus, thicknesses of the half circular-annulus and thermal conditions is also exhibited.

Keywords: nanofluid, convection, semicircular-annulus, nonhomogeneous dynamic model, finite element method

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11335 Hydroxyapatite from Biowaste for the Reinforcement of Polymer

Authors: John O. Akindoyo, M. D. H. Beg, Suriati Binti Ghazali, Nitthiyah Jeyaratnam

Abstract:

Regeneration of bone due to the many health challenges arising from traumatic effects of bone loss, bone tumours and other bone infections is fast becoming indispensable. Over the period of time, some approaches have been undertaken to mitigate this challenge. This includes but not limited to xenografts, allografts, autografts as well as artificial substitutions like bioceramics, synthetic cements and metals. However, most of these techniques often come along with peculiar limitation and problems such as morbidity, availability, disease transmission, collateral site damage or absolute rejection by the body as the case may be. Hydroxyapatite (HA) is very compatible and suitable for this application. However, most of the common methods for HA synthesis are expensive and environmentally unfriendly. Extraction of HA from bio-wastes have been perceived not only to be cost effective, but also environment-friendly. In this research, HA was produced from bio-waste: namely bovine bones through a combination of hydrothermal chemical processes and ordinary calcination techniques. Structure and property of the HA was carried out through different characterization techniques (such as TGA, FTIR, DSC, XRD and BET). The synthesized HA was found to possess similar properties to stoichiometric HA with highly desirable thermal, degradation, structural and porous properties. This material is unique for its potential minimal cost, environmental friendliness and property controllability. It is also perceived to be suitable for tissue and bone engineering applications.

Keywords: biomaterial, biopolymer, bone, hydroxyapatite

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11334 Study on High Performance Fiber Reinforced Concrete (HPFRC) Beams on Subjected to Cyclic Loading

Authors: A. Siva, K. Bala Subramanian, Kinson Prabu

Abstract:

Concrete is widely used construction materials all over the world. Now a day’s fibers are used in this construction due to its advantages like increase in stiffness, energy absorption, ductility and load carrying capacity. The fiber used in the concrete to increases the structural integrity of the member. It is one of the emerging techniques used in the construction industry. In this paper, the effective utilization of high-performance fiber reinforced concrete (HPFRC) beams has been experimental investigated. The experimental investigation has been conducted on different steel fibers (Hooked, Crimpled, and Hybrid) under cyclic loading. The behaviour of HPFRC beams is compared with the conventional beams. Totally four numbers of specimens were cast with different content of fiber concrete and compared conventional concrete. The fibers are added to the concrete by base volume replacement of concrete. The silica fume and superplasticizers were used to modify the properties of concrete. Single point loading was carried out for all the specimens, and the beam specimens were subjected to cyclic loading. The load-deflection behaviour of fibers is compared with the conventional concrete. The ultimate load carrying capacity, energy absorption and ductility of hybrid fiber reinforced concrete is higher than the conventional concrete by 5% to 10%.

Keywords: cyclic loading, ductility, high performance fiber reinforced concrete, structural integrity

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11333 Comparison of Different Machine Learning Algorithms for Solubility Prediction

Authors: Muhammet Baldan, Emel Timuçin

Abstract:

Molecular solubility prediction plays a crucial role in various fields, such as drug discovery, environmental science, and material science. In this study, we compare the performance of five machine learning algorithms—linear regression, support vector machines (SVM), random forests, gradient boosting machines (GBM), and neural networks—for predicting molecular solubility using the AqSolDB dataset. The dataset consists of 9981 data points with their corresponding solubility values. MACCS keys (166 bits), RDKit properties (20 properties), and structural properties(3) features are extracted for every smile representation in the dataset. A total of 189 features were used for training and testing for every molecule. Each algorithm is trained on a subset of the dataset and evaluated using metrics accuracy scores. Additionally, computational time for training and testing is recorded to assess the efficiency of each algorithm. Our results demonstrate that random forest model outperformed other algorithms in terms of predictive accuracy, achieving an 0.93 accuracy score. Gradient boosting machines and neural networks also exhibit strong performance, closely followed by support vector machines. Linear regression, while simpler in nature, demonstrates competitive performance but with slightly higher errors compared to ensemble methods. Overall, this study provides valuable insights into the performance of machine learning algorithms for molecular solubility prediction, highlighting the importance of algorithm selection in achieving accurate and efficient predictions in practical applications.

Keywords: random forest, machine learning, comparison, feature extraction

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11332 Good Practices for Model Structure Development and Managing Structural Uncertainty in Decision Making

Authors: Hossein Afzali

Abstract:

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

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11331 Effect of Graphene on the Structural and Optical Properties of Ceria:Graphene Nanocomposites

Authors: R. Udayabhaskar, R. V. Mangalaraja, V. T. Perarasu, Saeed Farhang Sahlevani, B. Karthikeyan, David Contreras

Abstract:

Bandgap engineering of CeO₂ nanocrystals is of high interest for many research groups to meet the requirement of desired applications. The band gap of CeO₂ nanostructures can be modified by varying the particle size, morphology and dopants. Anchoring the metal oxide nanostructures on graphene sheets will result in composites with improved properties than the parent materials. The presence of graphene sheets will acts a support for the growth, influences the morphology and provides external paths for electronic transitions. Thus, the controllable synthesis of ceria:graphene composites with various morphologies and the understanding of the optical properties is highly important for the usage of these materials in various applications. The development of ceria and ceria:graphene composites with low cost, rapid synthesis with tunable optical properties is still desirable. By this work, we discuss the synthesis of pure ceria (nanospheres) and ceria:graphene composites (nano-rice like morphology) by using commercial microwave oven as a cost effective and environmentally friendly approach. The influence of the graphene on the crystallinity, morphology, band gap and luminescence of the synthesized samples were analyzed. The average crystallite size obtained by using Scherrer formula of the CeO₂ nanostructures showed a decreasing trend with increasing the graphene loading. The higher graphene loaded ceria composite clearly depicted morphology of nano-rice like in shape with the diameter below 10 nm and the length over 50 nm. The presence of graphene and ceria related vibrational modes (100-4000 cm⁻¹) confirmed the successful formation of composites. We observed an increase in band gap (blue shift) with increasing loading amount of graphene. Further, the luminescence related to various F-centers was quenched in the composites. The authors gratefully acknowledge the FONDECYT Project No.: 3160142 and BECA Conicyt National Doctorado2017 No. 21170851 Government of Chile, Santiago, for the financial assistance.

Keywords: ceria, graphene, luminescence, blue shift, band gap widening

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11330 Selective Extraction of Couple Nickel(II) / Cobalt(II) by a Series of Schiff Bases in Sulfate Medium, in the Chloroforme-Water

Authors: N. Belhadj, M. Hadj Youcef, T. Benabdallah, Belbachir Ibtissem, N. Boceiri

Abstract:

This work deals with the synthesis, the structural elucidation and the exploration the extracting properties of a series of ortho-hydroxy Schiff base in sulfate medium. After the synthesis and characterization of their structures, the study of their behavior in solution was carried out by pH-metric titration in different media homogeneous and heterogeneous solution. This allowed to explore and to quantify in each of these media, some of their properties in solution such as, their acid-base behavior (determination and comparison of pKa), their distribution powers (determination and comparison of logKd), and their thermodynamic constants (determining ∆H°, ΔS° and ∆G°moy) by optimizing both the temperature and ionic strength. Study of the extraction of nickel (II) and cobalt(II) separately was undertaken in the aqueous-organic system, chloroform-water. Different extraction parameters have been thus optimized such, the pH, the concentration of extractant and the ionic strength, and the extraction constants established in each case. The extracted metal complexes have been isolated and their spatial configurations elucidated. The selective extraction of the couple cobalt (II)/nickel (II) was finally performed by our series of Schiff base in the chloroforme/water.

Keywords: selective extraction, Schiff base, distribution, cobalt(II), nickel(II)

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11329 Study of the ZnO Effect on the Properties of HDPE/ ZnO Nanocomposites

Authors: F. Z. Benabid, F. Zouai, N. Kharchi, D. Benachour

Abstract:

A HDPE/ZnO nano composites have been successfully performed using the co-mixing. The ZnO was first co-mixed with the stearic acid then added to the polymer in the plastograph. The nano composites prepared with the co-mixed ZnO were compared to those prepared with the neat TiO2. The nano composites were characterized by different techniques as the wide-angle X-ray scattering (WAXS). The micro and nano structure/properties relationships were investigated. The present study allowed establishing good correlations between the different measured properties.

Keywords: exfoliation, ZnO, nano composites, HDPE, co-mixing

Procedia PDF Downloads 328
11328 Influence of Mandrel’s Surface on the Properties of Joints Produced by Magnetic Pulse Welding

Authors: Ines Oliveira, Ana Reis

Abstract:

Magnetic Pulse Welding (MPW) is a cold solid-state welding process, accomplished by the electromagnetically driven, high-speed and low-angle impact between two metallic surfaces. It has the same working principle of Explosive Welding (EXW), i.e. is based on the collision of two parts at high impact speed, in this case, propelled by electromagnetic force. Under proper conditions, i.e., flyer velocity and collision point angle, a permanent metallurgical bond can be achieved between widely dissimilar metals. MPW has been considered a promising alternative to the conventional welding processes and advantageous when compared to other impact processes. Nevertheless, MPW current applications are mostly academic. Despite the existing knowledge, the lack of consensus regarding several aspects of the process calls for further investigation. As a result, the mechanical resistance, morphology and structure of the weld interface in MPW of Al/Cu dissimilar pair were investigated. The effect of process parameters, namely gap, standoff distance and energy, were studied. It was shown that welding only takes place if the process parameters are within an optimal range. Additionally, the formation of intermetallic phases cannot be completely avoided in the weld of Al/Cu dissimilar pair by MPW. Depending on the process parameters, the intermetallic compounds can appear as continuous layer or small pockets. The thickness and the composition of the intermetallic layer depend on the processing parameters. Different intermetallic phases can be identified, meaning that different temperature-time regimes can occur during the process. It is also found that lower pulse energies are preferred. The relationship between energy increase and melting is possibly related to multiple sources of heating. Higher values of pulse energy are associated with higher induced currents in the part, meaning that more Joule heating will be generated. In addition, more energy means higher flyer velocity, the air existing in the gap between the parts to be welded is expelled, and this aerodynamic drag (fluid friction) is proportional to the square of the velocity, further contributing to the generation of heat. As the kinetic energy also increases with the square of velocity, the dissipation of this energy through plastic work and jet generation will also contribute to an increase in temperature. To reduce intermetallic phases, porosity, and melt pockets, pulse energy should be minimized. The bond formation is affected not only by the gap, standoff distance, and energy but also by the mandrel’s surface conditions. No correlation was clearly identified between surface roughness/scratch orientation and joint strength. Nevertheless, the aspect of the interface (thickness of the intermetallic layer, porosity, presence of macro/microcracks) is clearly affected by the surface topology. Welding was not established on oil contaminated surfaces, meaning that the jet action is not enough to completely clean the surface.

Keywords: bonding mechanisms, impact welding, intermetallic compounds, magnetic pulse welding, wave formation

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11327 Association of Geomagnetic Storms with Coronal Mass Ejections during 1997-2012

Authors: O. P. Tripathi, P. L. Verma

Abstract:

Coronal Mass Ejections (CMEs) are mostly reached on Earth from 1 to 5 days from the Sun. As a consequence, slow CMEs are accelerated toward the speed of solar wind and fast CMEs are decelerated toward the speed of the solar wind. Coronal mass ejections (CMEs) are bursts of solar material i.e. clouds of plasma and magnetic fields that shoot off the sun’s surface. Other solar events include solar wind streams that come from the coronal holes on the Sun and solar energetic particles that are primarily released by CMEs. We have studied geomagnetic storms (DST ≤ - 80nT) during 1997-2012 with halo and partial halo coronal mass ejections and found that 73.28% CMEs (halo and partial halo coronal mass ejections) are associated with geomagnetic storms. The association rate of halo and partial halo coronal mass ejections are found 67.06% and 32.94% with geomagnetic storms respectively. We have also determined positive co-relation between magnitude of geomagnetic storms and speed of coronal mass ejection with correlation co-efficient 0.23.

Keywords: geomagnetic storms, coronal mass ejections (CMEs), disturbance storm time (Dst), interplanetary magnetic field (IMF)

Procedia PDF Downloads 491
11326 Interfacial Investigation and Chemical Bonding in Graphene Reinforced Alumina Ceramic Nanocomposites

Authors: Iftikhar Ahmad, Mohammad Islam

Abstract:

Thermally exfoliated graphene nanomaterial was reinforced into Al2O3 ceramic and the nanocomposites were consolidated using rapid high-frequency induction heat sintering route. The resulting nanocomposites demonstrated higher mechanical properties due to efficient GNS incorporation and chemical interaction with the Al2O3 matrix grains. The enhancement in mechanical properties is attributed to (i) uniformly-dispersed GNS in the consolidated structure (ii) ability of GNS to decorate Al2O3 nanoparticles and (iii) strong GNS/Al2O3 chemical interaction during colloidal mixing and pullout/crack bridging toughening mechanisms during mechanical testing. The GNS/Al2O3 interaction during different processing stages was thoroughly examined by thermal and structural investigation of the interfacial area. The formation of an intermediate aluminum oxycarbide phase (Al2OC) via a confined carbothermal reduction reaction at the GNS/Al2O3 interface was observed using advanced electron microscopes. The GNS surface roughness improves GNS/Al2O3 mechanical locking and chemical compatibility. The sturdy interface phase facilitates efficient load transfer and delayed failure through impediment of crack propagation. The resulting nanocomposites, therefore, offer superior toughness.

Keywords: ceramics, nanocomposites, interfaces, nanostructures, electron microscopy, Al2O3

Procedia PDF Downloads 341
11325 Biophysical Features of Glioma-Derived Extracellular Vesicles as Potential Diagnostic Markers

Authors: Abhimanyu Thakur, Youngjin Lee

Abstract:

Glioma is a lethal brain cancer whose early diagnosis and prognosis are limited due to the dearth of a suitable technique for its early detection. Current approaches, including magnetic resonance imaging (MRI), computed tomography (CT), and invasive biopsy for the diagnosis of this lethal disease, hold several limitations, demanding an alternative method. Recently, extracellular vesicles (EVs) have been used in numerous biomarker studies, majorly exosomes and microvesicles (MVs), which are found in most of the cells and biofluids, including blood, cerebrospinal fluid (CSF), and urine. Remarkably, glioma cells (GMs) release a high number of EVs, which are found to cross the blood-brain-barrier (BBB) and impersonate the constituents of parent GMs including protein, and lncRNA; however, biophysical properties of EVs have not been explored yet as a biomarker for glioma. We isolated EVs from cell culture conditioned medium of GMs and regular primary culture, blood, and urine of wild-type (WT)- and glioma mouse models, and characterized by nano tracking analyzer, transmission electron microscopy, immunogold-EM, and differential light scanning. Next, we measured the biophysical parameters of GMs-EVs by using atomic force microscopy. Further, the functional constituents of EVs were examined by FTIR and Raman spectroscopy. Exosomes and MVs-derived from GMs, blood, and urine showed distinction biophysical parameters (roughness, adhesion force, and stiffness) and different from that of regular primary glial cells, WT-blood, and -urine, which can be attributed to the characteristic functional constituents. Therefore, biophysical features can be potential diagnostic biomarkers for glioma.

Keywords: glioma, extracellular vesicles, exosomes, microvesicles, biophysical properties

Procedia PDF Downloads 128
11324 Modification of Polyurethane Adhesive for OSB/EPS Panel Production

Authors: Stepan Hysek, Premysl Sedivka, Petra Gajdacova

Abstract:

Currently, structural composite materials contain cellulose-based particles (wood chips, fibers) bonded with synthetic adhesives containing formaldehyde (urea-formaldehyde, melamine-formaldehyde adhesives and others). Formaldehyde is classified as a volatile substance with provable carcinogenic effects on live organisms, and an emphasis has been put on continual reduction of its content in products. One potential solution could be the development of an agglomerated material which does not contain adhesives releasing formaldehyde. A potential alternative to formaldehyde-based adhesives could be polyurethane adhesives containing no formaldehyde. Such adhesives have been increasingly used in applications where a few years ago formaldehyde-based adhesives were the only option. Advantages of polyurethane adhesive in comparison with others in the industry include the high elasticity of the joint, which is able to resist dynamic stress, and resistance to increased humidity and climatic effects. These properties predict polyurethane adhesives to be used in OSB/EPS panel production. The objective of this paper is to develop an adhesive for bonding of sandwich panels made of material based on wood and other materials, e.g. SIP) and optimization of input components in order to obtain an adhesive with required properties suitable for bonding of the given materials without involvement of formaldehyde. It was found that polyurethane recyclate as a filler is suitable modification of polyurethane adhesive and results have clearly revealed that modified adhesive can be used for OSB/EPS panel production.

Keywords: adhesive, polyurethane, recyclate, SIP

Procedia PDF Downloads 251