Search results for: structural graph

Authors: Sinethemba Yakobi, Lindiwe Zuma, Ofentse Pooe

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Gonococcal infections present a notable public health issue, and the major approach for treatment involves using β-lactam antibiotics that specifically target penicillin-binding protein 2 (PBP2) in Neisseria gonorrhoeae. This study examines the influence of flavonoids, namely rutin, on the structural changes of PBP2 in both penicillin-resistant (FA6140) and penicillin-susceptible (FA19) strains. The research clarifies the structural effects of particular mutations, such as inserting an aspartate residue at position 345 (Asp-345a) in the PBP2 protein. The strain FA6140, which is resistant to penicillin, shows specific changes that lead to a decrease in penicillin binding. These mutations, namely P551S and F504L, significantly impact the pace at which acylation occurs and the stability of the strain under high temperatures. Molecular docking analyses investigate the antibacterial activities of rutin and other phytocompounds, emphasizing its exceptional binding affinity and potential as an inhibitor of PBP2. Quercetin and protocatechuic acid have encouraging antibacterial effectiveness, with quercetin displaying characteristics similar to those of drugs. Molecular dynamics simulations offer a detailed comprehension of the interactions between flavonoids and PBP2, highlighting rutin's exceptional antioxidant effects and strong affinity for the substrate binding site. The study's wider ramifications pertain to the pressing requirement for antiviral treatments in the context of the ongoing COVID-19 epidemic. Flavonoids have a strong affinity for binding to PBP2, indicating their potential as inhibitors to impair cell wall formation in N. gonorrhoeae. Ultimately, this study provides extensive knowledge on the interactions between proteins and ligands, the dynamics of the structure, and the ability of flavonoids to combat penicillin-resistant N. gonorrhoeae bacteria. The verified simulation outcomes establish a basis for creating potent inhibitors and medicinal therapies to combat infectious illnesses.

Keywords: phytochemicals, penicillin-binding protein 2, gonococcal infection, ligand-protein interaction, binding energy, neisseria gonorrhoeae FA19, neisseria gonorrhoeae FA6140, flavonoids

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Authors: A. Atli, K. Candelier, J. Alteyrac

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Environmental and sustainability concerns push the industries to manufacture alternative materials having less environmental impact. The Wood Plastic Composites (WPCs) produced by blending the biopolymers and natural fillers permit not only to tailor the desired properties of materials but also are the solution to meet the environmental and sustainability requirements. This work presents the elaboration and characterization of the fully green WPCs prepared by blending a biopolymer, BIOPLAST® GS 2189 and spruce sawdust used as filler with different amounts. Since both components are bio-based, the resulting material is entirely environmentally friendly. The mechanical, thermal, structural properties of these WPCs were characterized by different analytical methods like tensile, flexural and impact tests, Thermogravimetric Analysis (TGA), Differential Scanning Calorimetry (DSC) and X-ray Diffraction (XRD). Their water absorption properties and resistance to the termite and fungal attacks were determined in relation with different wood filler content. The tensile and flexural moduli of WPCs increased with increasing amount of wood fillers into the biopolymer, but WPCs became more brittle compared to the neat polymer. Incorporation of spruce sawdust modified the thermal properties of polymer: The degradation, cold crystallization, and melting temperatures shifted to higher temperatures when spruce sawdust was added into polymer. The termite, fungal and water absorption resistance of WPCs decreased with increasing wood amount in WPCs, but remained in durability class 1 (durable) concerning fungal resistance and quoted 1 (attempted attack) in visual rating regarding to the termites resistance except that the WPC with the highest wood content (30 wt%) rated 2 (slight attack) indicating a long term durability. All the results showed the possibility to elaborate the easy injectable composite materials with adjustable properties by incorporation of BIOPLAST® GS 2189 and spruce sawdust. Therefore, lightweight WPCs allow both to recycle wood industry byproducts and to produce a full ecologic material.

Keywords: biodegradability, color measurements, durability, mechanical properties, melt flow index, MFI, structural properties, thermal properties, wood-plastic composites, WPCs

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Authors: Chiara Magliacane

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This project aims to analyse the relationship between the post-conflict Northern Irish environment and youth trauma in deprived areas. Using an anthropological perspective and methodology, the study investigates the possible contribution that a socio-cultural perspective can give to the current research on the field, with a special focus on the role of transgenerational trauma. The recognition of the role that socio-economic determinants have on health is usually a challenge for social researchers. In post-conflict Northern Ireland, the overall lack of research about connections between the social context and youth trauma opens the way to the present project. Anthropological studies on social implications of mental disorders have achieved impressive results in many societies; they show how conditions of sufferance and poverty are not intrinsically given, but are the products of historical processes and events. The continuum of violence and the politics of victimhood sustains a culture of silence and fear in deprived areas; this implies the need of investigating the structural and symbolic violence that lies behind the diffusion of mental suffering. The project refers to these concepts from Medical Anthropology and looks at connections between trauma and social, political and economic structures. Accordingly, the study considers factors such as poverty, unemployment, social inequality and gender and class perspectives. At the same time, the project problematises categories such as youth and trauma. 'Trauma' is currently debated within the social sciences since the 'invention' of the Post-Traumatic Stress Disorder (PTSD) in 1980. Current critics made to its clinical conception show how trauma has been mainly analysed as a memory of the past. On the contrary, medical anthropological research focuses on wider perspectives on society and its structures; this is a new and original approach to the study of youth trauma considering that, to author’s best knowledge, there is no research of this kind regarding Northern Ireland. Methods: Qualitative interviews, participant observation. Expected Impact: Local Northern Ireland organizations, i.e. specific charities that provide mental health support. Ongoing and present connections will ensure they will hear about this research.

Keywords: health and social inequalities, Northern Ireland, structural violence, youth

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Authors: Sunita Kumawat, Sumit Kumar Vishwakarma

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The present study fundamentally focuses on analyzing the limitations and transference of horizontally polarized Shear waves(SH waves) in a four-layered compounded cylinder. The geometrical structure comprises of concentric cylinders of infinite length composed of self-reinforced (SR), fibre-reinforced (FR), piezo-magnetic (PM), and piezo-electric(PE) materials. The entire structure is assumed to be pre stressed along the azimuthal direction. In order to make the structure sensitive to the application pertaining to sensors and actuators, the PM and PE cylinders have been categorically placed in the outer part of the geometry. Whereas in order to provide stiffness and stability to the structure, the inner part consists of self-reinforced and fibre-reinforced media. The common boundary between each of the cylinders has been essentially considered as imperfectly bounded. At the interface of PE and PM media, mechanical, electrical, magnetic, and inter-coupled types of imperfections have been exhibited. The closed-form of dispersion relation has been deduced for two contrast cases i.e. electrically open magnetically short(EOMS) and electrically short and magnetically open ESMO circuit conditions. Dispersion curves have been plotted to illustrate the salient features of parameters like normalized imperfect interface parameters, initial stresses, and radii of the concentric cylinders. The comparative effect of each one of these parameters on the phase velocity of the wave has been enlisted and marked individually. Every graph has been presented with two consecutive modes in succession for a comprehensive understanding. This theoretical study may be implemented to improvise the performance of surface acoustic wave (SAW) sensors and actuators consisting of piezo-electric quartz and piezo-composite concentric cylinders.

Keywords: self-reinforced, fibre-reinforced, piezo-electric, piezo-magnetic, interfacial imperfection

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Authors: Laura Beckmann, Sabrina Rutter, Isabell Van Ackeren, Nina Bremm, Esther Dominique Klein, Kathrin Racherbäumer

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Current evidence demonstrates that schools in socially disadvantaged contexts are often characterized by lower school performance and lower educational qualifications among the student body, compared to schools in more privileged socio-spacial contexts. At the same time, national and international findings on schools with structural and social challenges show that certain school and classroom development strategies, as well as human and material resources, can significantly contribute to improved school performance of students. The aim of this contribution is to present a 6-year mixed-methods study (Talent Schools in North Rhine-Westphalia), which is designed as a school experiment addressing the well-acknowledged inequality of educational opportunities in the German school system. Started in the year 2019 and funded by the Ministry for School and Education of the State of North Rhine-Westphalia, the study targets schools in socio-spatially disadvantaged areas, which have increasingly been the focus of both public debate and educational policy. In the German-speaking countries, however, there is little knowledge available on the structure and design of complex strategies for school and classroom development that describe successful approaches to the further development of schools in disadvantaged locations in a process-oriented manner. Given these shortcomings, the present study aims at a longitudinal analysis of school and classroom development processes within 60 ‘talent schools’, whereby concrete micro-progressions within individual schools are documented and aggregated to general processes that may either impede or promote development. The main research question is the following: With the help of which strategies and (teaching) concepts, with which use of resources and with which forms of cooperation can schools contribute to the development of student achievement, including educational qualifications and transition rates in education and employment? Thus, the ‘talent schools’ may serve as examples of how social background can successfully be decoupled from educational success at schools with special structural and procedural challenges. The major chances and challenges of this project will be discussed.

Keywords: educational inequality, school development, student achievement, mixed-methods study

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Authors: Anika Chebrolu

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Mono-targeted drugs can be of limited efficacy against complex diseases. Recently, multi-target drug design has been approached as a promising tool to fight against these challenging diseases. However, the scope of current computational approaches for multi-target drug design is limited. DeepLig presents a de-novo drug discovery platform that uses reinforcement learning to generate and optimize novel, potent, and multitargeted drug candidates against protein targets. DeepLig’s model consists of two networks in interplay: a generative network and a predictive network. The generative network, a Stack- Augmented Recurrent Neural Network, utilizes a stack memory unit to remember and recognize molecular patterns when generating novel ligands from scratch. The generative network passes each newly created ligand to the predictive network, which then uses multiple Graph Attention Networks simultaneously to forecast the average binding affinity of the generated ligand towards multiple target proteins. With each iteration, given feedback from the predictive network, the generative network learns to optimize itself to create molecules with a higher average binding affinity towards multiple proteins. DeepLig was evaluated based on its ability to generate multi-target ligands against two distinct proteins, multi-target ligands against three distinct proteins, and multi-target ligands against two distinct binding pockets on the same protein. With each test case, DeepLig was able to create a library of valid, synthetically accessible, and novel molecules with optimal and equipotent binding energies. We propose that DeepLig provides an effective approach to design multi-targeted drug therapies that can potentially show higher success rates during in-vitro trials.

Keywords: drug design, multitargeticity, de-novo, reinforcement learning

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Authors: Abdulkareem M. Hamid, Yaseen Elhebshi, Adam Daïch

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Luotonins and its derivatives (Isoluotonins) are alkaloids from the aerial parts of Peganum nigellastrum Bunge that display three major skeleton types. Luotonins A, B, and E are pyrroloquinazolinoquinoline alkaloids. A few methods were known for the sysnthesis of Isoluotonin. All luotonins have shown promising cytotoxicities towards selected human cancer cell lines, especially against leukemia P-388 cells. Luotonin A is the most active one, with its activity stemming from topoisomerase I-dependent DNA-cleavage. Such intriguing biological activities and unique structures have led not only to the development of synthetic methods for the efficient synthesis of these compounds, but also to interest in structural modifications for improving the biological properties. Recent progress in the study of luotonins is covered.

Keywords: luotonin A, isoluotonin, pyrroloquiolines, alkaloids

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Authors: Fazli Idris, Jihad Mohammad

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The study aims to determine the impact of technology and service operations flexibility, which is divided into external flexibility and internal robustness, on operations costs. A mediation model is proposed that links technology to operations costs via operation flexibility. Drawing on a sample of 475 of operations managers of various service sectors in Malaysia and South Africa, Structural Equation Modeling (SEM) was employed to test the relationship using Smart-PLS procedures. It was found that a significant relationship was established between technologies to operations costs via both operations flexibility dimensions. Theoretical and managerial implications are offered to explain the results.

Keywords: Operations flexibility, technology, costs, mediation

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Authors: Weikang Peng

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The innovation corridor is an important spatial carrier to promote regional collaborative innovation, and its development process is the spatial re-organization process of regional innovation resources. This paper takes the Nanjing-Zhenjiang G312 Industrial Innovation Corridor, which involves seven municipal districts in Jiangsu Province, as empirical evidence. Based on multi-source spatial big data in 2010, 2016, and 2022, this paper applies triangulated irregular network (TIN), head/tail breaks, regional innovation ecosystem (RIE) niche fitness evaluation model, and social network analysis to carry out empirical research on the spatial organization and functional structural evolution characteristics of innovation corridors and their correlation with the structural evolution of collaborative innovation network. The results show, first, the development of innovation patches in the corridor has fractal characteristics in time and space and tends to be multi-center and cluster layout along the Nanjing Bypass Highway and National Highway G312. Second, there are large differences in the spatial distribution pattern of niche fitness in the corridor in various dimensions, and the niche fitness of innovation patches along the highway has increased significantly. Third, the scale of the collaborative innovation network in the corridor is expanding fast. The core of the network is shifting from the main urban area to the periphery of the city along the highway, with small-world and hierarchical levels, and the core-edge network structure is highlighted. With the development of the Innovation Corridor, the main collaborative mode in the corridor is changing from collaboration within innovation patches to collaboration between innovation patches, and innovation patches with high ecological suitability tend to be the active areas of collaborative innovation. Overall, polycentric spatial layout, graded functional structure, diversified innovation clusters, and differentiated environmental support play an important role in effectively constructing collaborative innovation linkages and the stable expansion of the scale of collaborative innovation within the innovation corridor.

Keywords: innovation corridor development, spatial structure, niche fitness evaluation model, head/tail breaks, innovation network

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Authors: Carla Palencia-Aguilar

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Calculations of Net Carbon Balance can be obtained by means of Net Biome Productivity (NBP), Net Ecosystem Productivity (NEP), and Net Primary Production (NPP). The latter is an important component of the biosphere carbon cycle and is easily obtained data from MODIS MOD17A3HGF; however, the results are only available yearly. To overcome data availability, bands 33 to 36 from MODIS MYD021KM (obtained on a daily basis) were analyzed and compared with NPP data from the years 2000 to 2021 in 7 sites where surface mining takes place in the Colombian territory. Coal, Gold, Iron, and Limestone were the minerals of interest. Scales and Units as well as thermal anomalies, were considered for net carbon balance per location. The NPP time series from the satellite images were filtered by using two Matlab filters: First order and Discrete Transfer. After filtering the NPP time series, comparing the graph results from the satellite’s image value, and running a linear regression, the results showed R2 from 0,72 to 0,85. To establish comparable units among NPP and bands 33 to 36, the Greenhouse Gas Equivalencies Calculator by EPA was used. The comparison was established in two ways: one by the sum of all the data per point per year and the other by the average of 46 weeks and finding the percentage that the value represented with respect to NPP. The former underestimated the total CO2 emissions. The results also showed that coal and gold mining in the last 22 years had less CO2 emissions than limestone, with an average per year of 143 kton CO2 eq for gold, 152 kton CO2 eq for coal, and 287 kton CO2 eq for iron. Limestone emissions varied from 206 to 441 kton CO2 eq. The maximum emission values from unfiltered data correspond to 165 kton CO2 eq. for gold, 188 kton CO2 eq. for coal, and 310 kton CO2 eq. for iron and limestone, varying from 231 to 490 kton CO2 eq. If the most pollutant limestone site improves its production technology, limestone could count with a maximum of 318 kton CO2 eq emissions per year, a value very similar respect to iron. The importance of gathering data is to establish benchmarks in order to attain 2050’s zero emissions goal.

Keywords: carbon dioxide, NPP, MODIS, MINING

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Authors: Sugandha Gupta, Arun Kumar Jha

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A large number of ferroelectric materials have been intensely investigated for applications in non-volatile ferroelectric random access memories (FeRAMs), piezoelectric transducers, actuators, pyroelectric sensors, high dielectric constant capacitors, etc. Bismuth layered ferroelectric materials such as Strontium Bismuth Tantalate (SBT) has attracted a lot of attention due to low leakage current, high remnant polarization and high fatigue endurance up to 1012 switching cycles. However, pure SBT suffers from various major limitations such as high dielectric loss, low remnant polarization values, high processing temperature, bismuth volatilization, etc. Significant efforts have been made to improve the dielectric and ferroelectric properties of this compound. Firstly, it has been reported that electrical properties vary with the Sr/ Bi content ratio in the SrBi2Ta2O9 compsition i.e. non-stoichiometric compositions with Sr-deficient / Bi excess content have higher remnant polarization values than stoichiometic SBT compositions. With the objective to improve structural, dielectric, ferroelectric and piezoelectric properties of SBT compound, rare earth holmium (Ho3+) was chosen as a donor cation for substitution onto the Bi2O2 layer. Moreover, hardly any report on holmium substitution in stoichiometric SrBi2Ta2O9 and non-stoichiometric Sr0.8Bi2.2Ta2O9 compositions were available in the literature. The holmium substituted SrBi2-xHoxTa2O9 (x= 0.00-2.0) and Sr0.8Bi2.2Ta2O9 (x=0.0 and 0.01) compositions were synthesized by the solid state reaction method. The synthesized specimens were characterized for their structural and electrical properties. X-ray diffractograms reveal single phase layered perovskite structure formation for holmium content in stoichiometric SBT samples up to x ≤ 0.1. The granular morphology of the samples was investigated using scanning electron microscope (Hitachi, S-3700 N). The dielectric measurements were carried out using a precision LCR meter (Agilent 4284A) operating at oscillation amplitude of 1V. The variation of dielectric constant with temperature shows that the Curie temperature (Tc) decreases on increasing the holmium content. The specimen with x=2.0 i.e. the bismuth free specimen, has very low dielectric constant and does not show any appreciable variation with temperature. The dielectric loss reduces significantly with holmium substitution. The polarization–electric field (P–E) hysteresis loops were recorded using a P–E loop tracer based on Sawyer–Tower circuit. It is observed that the ferroelectric property improve with Ho substitution. Holmium substituted specimen exhibits enhanced value of remnant polarization (Pr= 9.22 μC/cm²) as compared to holmium free specimen (Pr= 2.55 μC/cm²). Piezoelectric co-efficient (d33 values) was measured using a piezo meter system (Piezo Test PM300). It is observed that holmium substitution enhances piezoelectric coefficient. Further, the optimized holmium content (x=0.01) in stoichiometric SrBi2-xHoxTa2O9 composition has been substituted in non-stoichiometric Sr0.8Bi2.2Ta2O9 composition to obtain further enhanced structural and electrical characteristics. It is expected that a new class of ferroelectric materials i.e. Rare Earth Layered Structured Ferroelectrics (RLSF) derived from Bismuth Layered Structured Ferroelectrics (BLSF) will generate which can be used to replace static (SRAM) and dynamic (DRAM) random access memories with ferroelectric random access memories (FeRAMS).

Keywords: dielectrics, ferroelectrics, piezoelectrics, strontium bismuth tantalate

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Authors: Morteza Mohri Esfahani, Amir S. H. Rozatian, Morteza Mozaffari

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Single phase magnetite nanoparticles and Bi-substituted ones were prepared by mechanochemical processing (MCP). The effects of Bi-substitution on the structural and magnetic properties of the nanoparticles were studied by X-ray Diffraction (XRD) and magnetometry techniques, respectively. The XRD results showed that all samples have spinel phase and by increasing Bi content, the main diffraction peaks were shifted to higher angles, which means the lattice parameter decreases from 0.843 to 0.838 nm and then increases to 0.841 nm. Also, the results revealed that increasing Bi content lead to a decrease in saturation magnetization (Ms) from 74.9 to 48.8 emu/g and an increase in coercivity (Hc) from 96.8 to 137.1 Oe.

Keywords: bi-substituted magnetite nanoparticles, mechanochemical processing, X-ray diffraction, magnetism

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Authors: A. Chellil, A. Nour, S. Lecheb, H.Mechakra, A. Bouderba, H. Kebir

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In this paper, the numerical study for the instability of a composite rotor is presented, under dynamic loading response in the harmonic analysis condition. The analysis of the stress which operates the rotor is done. Calculations of different energies and the virtual work of the aerodynamic loads from the rotor is developed. The use of the composite material for the rotor, offers a good Stability. Numerical calculations on the model develop of three dimensions prove that the damage effect has a negative effect on the stability of the rotor. The study of the composite rotor in transient system allowed to determine the vibratory responses due to various excitations.

Keywords: rotor, composite, damage, finite element, numerical

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Authors: Shadi Fathi, Moura Mehravar, Mujib Rahman

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Over the years,increased demands on railways, the emergence of high-speed trains and heavy axle loads, ageing, and deterioration of the existing tracks, is imposing costly maintenance actions on the railway sector. The need for developing a fast andcost-efficient non-destructive assessment method for the structural evaluation of railway tracksis therefore critically important. The layer modulus is the main parameter used in the structural design and evaluation of the railway track substructure (foundation). Among many recently developed NDTs, Falling Weight Deflectometer (FWD) test, widely used in pavement evaluation, has shown promising results for railway track substructure monitoring. The surface deflection data collected by FWD are used to estimate the modulus of substructure layers through the back-analysis technique. Although there are different commerciallyavailableback-analysis programs are used for pavement applications, there are onlya limited number of research-based techniques have been so far developed for railway track evaluation. In this paper, the suitability, accuracy, and reliability of the BAKFAAsoftware are investigated. The main rationale for selecting BAKFAA as it has a relatively straightforward user interfacethat is freely available and widely used in highway and airport pavement evaluation. As part of the study, a finite element (FE) model of a railway track section near Leominsterstation, Herefordshire, UK subjected to the FWD test, was developed and validated against available field data. Then, a virtual experimental database (including 218 sets of FWD testing data) was generated using theFE model and employed as the measured database for the BAKFAA software. This database was generated considering various layers’ moduli for each layer of track substructure over a predefined range. The BAKFAA predictions were compared against the cone penetration test (CPT) data (available from literature; conducted near to Leominster station same section as the FWD was performed). The results reveal that BAKFAA overestimatesthe layers’ moduli of each substructure layer. To adjust the BAKFA with the CPT data, this study introduces a correlation model to make the BAKFAA applicable in railway applications.

Keywords: back-analysis, bakfaa, railway track substructure, falling weight deflectometer (FWD), cone penetration test (CPT)

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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

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Authors: P. Suchismita Behera, V. G. Sathe, A. K. Nigam, P. A. Bhobe

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Co-existence of long-range ferromagnetism and semi-conductivity with correlated behavior of structural, magnetic, optical and electrical properties in various sites doping at CdCr2Se4 makes it a most promising candidate for spin-based electronic applications and magnetic devices. It orders ferromagnetically below TC = 130 K with a direct band gap of ~ 1.5 eV. The magnetic ordering is believed to result from strong competition between the direct antiferromagnetic Cr-Cr spin couplings and the ferromagnetic Cr-Se-Cr exchange interactions. With an aim of understanding the influence of crystal structure on its magnetic properties without disturbing the magnetic site, we investigated four compositions with 3%, 5%, 7% and 10% of Sn-substitution at Cd-site. Partial substitution of Cd2+ (0.78Å) by small sized nonmagnetic ion, Sn4+ (0.55Å), is expected to bring about local lattice distortion as well as a change in electronic charge distribution. The structural disorder would affect the Cd/Sn – Se bonds thus affecting the Cr-Cr and Cr-Se-Cr bonds. Whereas, the charge imbalance created due to Sn4+ substitution at Cd2+ leads to the possibility of Cr mixed valence state. Our investigation of the local crystal structure using the EXAFS, Raman spectroscopy and magnetic properties using SQUID magnetometry of the Cd1-xSnxCr2Se4 series reflects this premise. All compositions maintain the Fd3m cubic symmetry with tetrahedral distribution of Sn at Cd-site, as confirmed by XRD analysis. Lattice parameters were determined from the Rietveld refinement technique of the XRD data and further confirmed from the EXAFS spectra recorded at Cr K-edge. Presence of five Raman-active phonon vibrational modes viz. (T2g (1), T2g (2), T2g (3), Eg, A1g) in the Raman spectra further confirms the crystal symmetry. Temperature dependence of the Raman data provides interesting insight to the spin– phonon coupling, known to dominate the magneto-capacitive properties in the parent compound. Below the magnetic ordering temperature, the longitudinal damping of Eg mode associated with Se-Cd/Sn-Se bending and T2g (2) mode associated to Cr-Se-Cr interaction, show interesting deviations with respect to increase in Sn substitution. Besides providing the estimate of TC, the magnetic measurements recorded as a function of field provide the values of total magnetic moment for all the studied compositions indicative of formation of multiple Cr valences.

Keywords: exchange interactions, EXAFS, ferromagnetism, Raman spectroscopy, spinel chalcogenides

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Authors: O. Vlcek

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The paper deals with current issues in research of advanced methods to increase reliability of traditional timber structural elements. It analyses the issue of strengthening of bent timber beams, such as ceiling beams in old (historical) buildings with additional concrete slab in combination with externally bonded fibre - reinforced polymer. The paper describes experimental testing of composite timber-concrete beam with FRP reinforcement and compares results with FEM analysis.

Keywords: timber-concrete composite, strengthening, fibre-reinforced polymer, experimental analysis

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Authors: A. Fakhri Makram, Marwa S. Alwazni, Al-Douri Yarub, Evan T. Salim, Hashim Uda, Chin C. Woei

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Lithium niobate (LiNbO₃) nanostructures are prepared on quartz substrate by the sol-gel method. They have been deposited with different molarity concentration and annealed at 500°C. These samples are characterized and analyzed by X-ray diffraction (XRD), Scanning Electron Microscope (SEM) and Atomic Force Microscopy (AFM). The measured results showed an importance increasing in molarity concentrations that indicate the structure starts to become crystal, regular, homogeneous, well crystal distributed, which made it more suitable for optical waveguide application.

Keywords: lithium niobate, morphological properties, thin film, pechini method, XRD

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Authors: Sheo K. Mishra, Rajneesh K. Srivastava, R. K. Shukla

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In the present work, we report on the optical properties including UV-vis absorption and photoluminescence (PL) of ZnO nanostructures synthesized by sol-gel method. Structural and morphological investigations have been performed by X-ray diffraction method (XRD) and scanning electron microscopy (SEM). The XRD result confirms the formation of hexagonal wurtzite phase of ZnO nanostructures. The presence of various diffraction peaks suggests polycrystalline nature. The XRD pattern exhibits no additional peak due to by-products such as Zn(OH)2. The average crystallite size of prepared ZnO sample corresponding to the maximum intensity peaks is to be ~38.22 nm. The SEM micrograph shows different nanostructures of pure ZnO. Photoluminescence (PL) spectrum shows several emission peaks around 353 nm, 382 nm, 419 nm, 441 nm, 483 nm and 522 nm. The obtained results suggest that the prepared phosphors are quite suitable for optoelectronic applications.

Keywords: ZnO, sol-gel, XRD, PL

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Authors: Vasant Reddy, Shivani A. Singh, Pravin S. More

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In the present investigation, we demonstrated the fabrication of few-layers of graphene sheets with alkali metal i.e. Rb-G using chemical route method. The obtained materials were characterized by means of chemical, structural and electrical techniques, using the ultraviolet-visible spectroscopy (UV-Vis), Fourier transform infrared spectroscopy (FTIR), X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and 4 points probe, respectively. The XRD studies were carried out to understand the phase of the samples where we found a sharp peak of Rb-G at 26.470. UV-Spectroscopy of Graphene and Rb-modified graphene samples shows the absorption peaks at ~248 nm and ~318 nm respectively. These analyses show that this modified material can be useful for gas sensing applications and to be used in diverse areas.

Keywords: chemical route, graphene, gas sensing, UV-spectroscopy

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Authors: M. Saeedi, R. Wuchner, K.-U. Bletzinger

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In order to study the aerodynamic performance of a semi-flexible membrane wing, Fluid-Structure Interaction simulations have been performed. The fluid problem has been modeled using two different approaches which are the numerical solution of the Navier-Stokes equations and the vortex panel method. Nonlinear analysis of the structural problem is performed using the Finite Element Method. Comparison between the two fluid solvers has been made. Aerodynamic performance of the wing is discussed regarding its lift and drag coefficients and they are compared with those of the equivalent rigid wing.

Keywords: CFD, FSI, Membrane wing, Vortex panel method

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Authors: Rong Li, Brian D. Wirth, Bing Liu

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Graphite is the matrix, and structural material in the high temperature gas-cooled reactor exhibits an irradiation response. It is of significant importance to analyze the defect production and evaluate the role of graphite under irradiation. A vast experimental literature exists for graphite on the dimensional change, mechanical properties, and thermal behavior. However, simulations have not been applied to the atomistic perspective. Remarkably few molecular dynamics simulations have been performed to study the irradiation response in graphite. In this paper, irradiation-induced damage cascades in graphite were investigated with molecular dynamics simulation. Statistical results of the graphite defects were obtained by sampling a wide energy range (1–30 KeV) and 10 different runs for every cascade simulation with different random number generator seeds to the velocity scaling thermostat function. The chemical bonding in carbon was described using the adaptive intermolecular reactive empirical bond-order potential (AIREBO) potential coupled with the standard Ziegler–Biersack–Littmack (ZBL) potential to describe close-range pair interactions. This study focused on analyzing the number of defects, the final cascade morphology and the distribution of defect clusters in space, the length-scale cascade properties such as the cascade length and the range of primary knock-on atom (PKA), and graphite mechanical properties’ variation. It can be concluded that the number of surviving Frenkel pairs increased remarkably with the increasing initial PKA energy but did not exhibit a thermal spike at slightly lower energies in this paper. The PKA range and cascade length approximately linearly with energy which indicated that increasing the PKA initial energy will come at expensive computation cost such as 30KeV in this study. The cascade morphology and the distribution of defect clusters in space mainly related to the PKA energy meanwhile the temperature effect was relatively negligible. The simulations are in agreement with known experimental results and the Kinchin-Pease model, which can help to understand the graphite damage cascades and lifetime span under irradiation and provide a direction to the designs of these kinds of structural materials in the future reactors.

Keywords: graphite damage cascade, molecular dynamics, cascade morphology, cascade distribution

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Authors: Yi-Chun Kuo, Jo-Chieh Lin

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The objective of a supply chain strategy is to reduce waste and increase efficiency to attain cost benefits, and to guarantee supply chain flexibility when facing the ever-changing market environment in order to meet customer requirements. Strategy implementation aims to fulfill common goals and attain benefits by integrating upstream and downstream enterprises, sharing information, conducting common planning, and taking part in decision making, so as to enhance the overall performance of the supply chain. With the rise of outsourcing and globalization, the increasing dependence on suppliers and customers and the rapid development of information technology, the complexity and uncertainty of the supply chain have intensified, and supply chain vulnerability has surged, resulting in adverse effects on supply chain performance. Thus, this study aims to use supply chain vulnerability as a moderating variable and apply structural equation modeling (SEM) to determine the relationships among supply chain strategy, supply chain integration, and supply chain performance, as well as the moderating effect of supply chain vulnerability on supply chain performance. The data investigation of this study was questionnaires which were collected from the management level of enterprises in Taiwan and China, 149 questionnaires were received. The result of confirmatory factor analysis shows that the path coefficients of supply chain strategy on supply chain integration and supply chain performance are positive (0.497, t= 4.914; 0.748, t= 5.919), having a significantly positive effect. Supply chain integration is also significantly positively correlated to supply chain performance (0.192, t = 2.273). The moderating effects of supply chain vulnerability on supply chain strategy and supply chain integration to supply chain performance are significant (7.407; 4.687). In Taiwan, 97.73% of enterprises are small- and medium-sized enterprises (SMEs) focusing on receiving original equipment manufacturer (OEM) and original design manufacturer (ODM) orders. In order to meet the needs of customers and to respond to market changes, these enterprises especially focus on supply chain flexibility and their integration with the upstream and downstream enterprises. According to the observation of this research, the effect of supply chain vulnerability on supply chain performance is significant, and so enterprises need to attach great importance to the management of supply chain risk and conduct risk analysis on their suppliers in order to formulate response strategies when facing emergency situations. At the same time, risk management is incorporated into the supply chain so as to reduce the effect of supply chain vulnerability on the overall supply chain performance.

Keywords: supply chain integration, supply chain performance, supply chain vulnerability, structural equation modeling

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Authors: Mohamed Abdelmounim Bakkali, Mustapha El Mataouy, Abellatif Aaliti, Mouhamed Khaddor

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In the paper, we study the effects of introducing hafnium oxide on Raman spectra of silica glass planar waveguide activated by 0.3 mol% Er3+ ions. This work compares Raman spectra measured for three thin films deposited on silicon substrate. The films were prepared with different molar ratio of Si/Hf using sol-gel method and deposited by dip coating technique. The effect of hafnium oxide incorporation on the waveguides shows the evolution of the structure of this material. This structural information is useful to understand the luminescence intensity by means of ion–ion interaction mechanisms.

Keywords: optical amplifiers, non-bridging oxygen, erbium, sol-gel, waveguide, silica-hafnia

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Authors: Carine Muster, Prina Howald Erika

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Today's ice rinks are important energy consumers for the production and maintenance of ice. At the same time, users demand that the other rooms should be tempered or heated. The building complex must equally provide cooled and heated zones, which does not translate as carbon-zero ice rinks. The study provides an analysis of how the civil engineering sector can significantly impact minimizing greenhouse gas emissions and optimizing synergies across an entire ice rink complex. The analysis focused on three distinct aspects: the layout, including the volumetric layout of the premises present in an ice rink; the materials chosen that can potentially use the most ecological structural approach; and the construction methods based on innovative solutions to reduce carbon footprint. The first aspect shows that the organization of the interior volumes and defining the shape of the rink play a significant role. Its layout makes the use and operation of the premises as efficient as possible, thanks to the differentiation between heated and cooled volumes while optimising heat loss between the different rooms. The sprayed concrete method, which is still little known, proves that it is possible to achieve the strength of traditional concrete for the structural aspect of the load-bearing and non-load-bearing walls of the ice rink by using materials excavated from the construction site and providing a more ecological and sustainable solution. The installation of an empty sanitary space underneath the ice floor, making it independent of the rest of the structure, provides a natural insulating layer, preventing the transfer of cold to the rest of the structure and reducing energy losses. The addition of active pipes as part of the foundation of the ice floor, coupled with a suitable system, gives warmth in the winter and storage in the summer; this is all possible thanks to the natural heat in the ground. In conclusion, this study provides construction recommendations for future ice rinks with a significantly reduced energy demand, using some simple preliminary design concepts. By optimizing the layout, materials, and construction methods of ice rinks, the civil engineering sector can play a key role in reducing greenhouse gas emissions and promoting sustainability.

Keywords: climate change, energy optimization, green building, sustainability

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Authors: Kuo-Chun Chien, Chia-Hui Chang, Ren-Der Sun

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Legal Judgment Prediction (LJP) is a subtask for legal AI. Its main purpose is to use the facts of a case to predict the judgment result. In Taiwan's criminal procedure, when prosecutors complete the investigation of the case, they will decide whether to prosecute the suspect and which article of criminal law should be used based on the facts and evidence of the case. In this study, we collected 305,240 indictments from the public inquiry system of the procuratorate of the Ministry of Justice, which included 169 charges and 317 articles from 21 laws. We take the crime facts in the indictments as the main input to jointly learn the prediction model for law source, article, and charge simultaneously based on the pre-trained Bert model. For single article cases where the frequency of the charge and article are greater than 50, the prediction performance of law sources, articles, and charges reach 97.66, 92.22, and 60.52 macro-f1, respectively. To understand the big performance gap between articles and charges, we used a bipartite graph to visualize the relationship between the articles and charges, and found that the reason for the poor prediction performance was actually due to the wording precision. Some charges use the simplest words, while others may include the perpetrator or the result to make the charges more specific. For example, Article 284 of the Criminal Law may be indicted as “negligent injury”, "negligent death”, "business injury", "driving business injury", or "non-driving business injury". As another example, Article 10 of the Drug Hazard Control Regulations can be charged as “Drug Control Regulations” or “Drug Hazard Control Regulations”. In order to solve the above problems and more accurately predict the article and charge, we plan to include the article content or charge names in the input, and use the sentence-pair classification method for question-answer problems in the BERT model to improve the performance. We will also consider a sequence-to-sequence approach to charge prediction.

Keywords: legal judgment prediction, deep learning, natural language processing, BERT, data visualization

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Authors: S. Sushma, S. Balasubramanian, K. C. Latha, R. Sridhar

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Structural texture measures are used to address the aspect of breast cancer risk assessment in screening mammograms. The current study investigates whether texture properties characterized by local Fractal Dimension (FD) and lacunarity contribute to assess breast cancer risk. Fractal Dimension represents the complexity while the lacunarity characterize the gap of a fractal dimension. In this paper, we present our result confirming that the lacunarity value resulted in algorithm using mammogram images states that level of lacunarity will be low when the Fractal Dimension value will be high.

Keywords: breast cancer, fractal dimension, image analysis, lacunarity, mammogram

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Authors: Dinesh Gundavaram

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This paper presents an investigation on bridge damage detection based on the dynamic responses estimated from a passing vehicle. A numerical simulation of steel truss bridge for railway was used in this investigation. The bridge response at different locations is measured using CSI-Bridge software. Several damage scenarios are considered including different locations and severities. The possibilities of dynamic properties of global modes in the identification of structural changes in truss bridges were discussed based on the results of measurement.

Keywords: bridge, damage, dynamic responses, detection

Procedia PDF Downloads 271

Authors: Shaokun Ge, Bart Merci, Fubao Zhou, Gao Liu, Ya Ni

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This study investigates the thermal response of main cables and suspenders in suspension bridges subjected to vehicle fires, integrating large-scale gasoline pool fire experiments with numerical simulations. Focusing on a suspension bridge in China, the research examines the impact of wind speed, pool size, and lane position on flame dynamics and temperature distribution along the cables. The results indicate that higher wind speeds and larger pool sizes markedly increase the mass burning rate, causing flame deflection and non-uniform temperature distribution along the cables. Under a wind speed of 1.56 m/s, maximum temperatures reached approximately 960 ℃ near the base in emergency lane fires and 909 ℃ at 1.6 m height for slow lane fires, underscoring the heightened thermal risk from emergency lane fires. The study recommends a zoning strategy for cable fire protection, suggesting a 0-12.8 m protection zone with a target temperature of 1000 ℃ and a 12.8-20.8 m zone with a target temperature of 700 ℃, both with a 90-minute fire resistance. This approach, based on precise temperature distribution data from experimental and simulation results, provides a vital reference for the fire protection design of suspension bridge cables. Understanding cable temperature response during vehicle fires is crucial for developing fire protection systems, as it dictates necessary structural protection, fire resistance duration, and maximum temperatures for mitigation. Challenges of controlling environmental wind in large-scale fire tests are also addressed, along with a call for further research on fire behavior mechanisms and structural temperature response in cable-supported bridges under varying wind conditions. Conclusively, the proposed zoning strategy enhances the theoretical understanding of near-field temperature response in bridge fires, contributing significantly to the field by supporting the design of passive fire protection systems for bridge cables, safeguarding their integrity under extreme fire conditions.

Keywords: bridge fire, temperature response, large-scale experiment, numerical simulations, fire protection

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Authors: Ruby Priya, Om Parkash Pandey

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Eu doped Gd₂O₃ phosphors are synthesized via co-precipitation method using ammonia as a precipitating agent. The concentration of the Eu was set as 4 mol% for all the samples. The effect of the surfactants (CTAB, PEG, and SDS) on the structural, morphological and luminescent properties has been studied in details. The as-synthesized phosphors were characterized by X-ray diffraction technique, Field emission scanning electron microscopy, Fourier transformed infrared spectroscopy and photoluminescence technique. It was observed that the surfactants have not changed the crystal structure, but influenced the morphology of as-synthesized phosphors to a great extent. The as-synthesized phosphors are expected to be promising candidates for optoelectronic devices, biosensors, MRI contrast agents and various biomedical applications.

Keywords: co-precipitation, Europium, photoluminescence, surfactants

Procedia PDF Downloads 185