Search results for: lattice architectures

Authors: Meriem Harmel, Houari Khachai

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We have investigated the structural, electronic and optical properties of a compound perovskite CsSrF3 using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). In this approach, both the local density approximation (LDA) and the generalized gradient approximation (GGA) were used for exchange-correlation potential calculation. The ground state properties such as lattice parameter, bulk modulus and its pressure derivative were calculated and the results are compared whit experimental and theoretical data. Electronic and bonding properties are discussed from the calculations of band structure, density of states and electron charge density, where the fundamental energy gap is direct under ambient conditions. The contribution of the different bands was analyzed from the total and partial density of states curves. The optical properties (namely: the real and the imaginary parts of the dielectric function ε(ω), the refractive index n(ω) and the extinction coefficient k(ω)) were calculated for radiation up to 35.0 eV. This is the first quantitative theoretical prediction of the optical properties for the investigated compound and still awaits experimental confirmations.

Keywords: DFT, fluoroperovskite, electronic structure, optical properties

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Authors: M. Saadi, S. E. H. Abaidia, M. Y. Mokeddem.

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We present the results of a systematic and comparative study of the bulk, the structural properties, and phonon calculations of aluminum alloys using several exchange–correlations functional theory (DFT) with different plane-wave basis pseudo potential techniques. Density functional theory implemented by the Vienna Ab Initio Simulation Package (VASP) technique is applied to calculate the bulk and the structural properties of several structures. The calculations were performed for within several exchange–correlation functional and pseudo pententials available in this code (local density approximation (LDA), generalized gradient approximation (GGA), projector augmented wave (PAW)). The lattice dynamic code “PHON” developed by Dario Alfè was used to calculate some thermodynamics properties and phonon dispersion relation frequency distribution of Aluminium alloys using the VASP LDA PAW and GGA PAW results. The bulk and structural properties of the calculated structures were compared to different experimental and calculated works.

Keywords: DFT, exchange-correlation functional, LDA, GGA, pseudopotential, PAW, VASP, PHON, phonon dispersion

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Authors: Luguang Qi, Chuang Xie

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In recent years, there has been an increase in the number of reports on cocrystal polymorphism and stoichiomorphism. However, the research on the factors that influence these phenomena is limited. Herein, picolinamide (PAM), nicotinamide (NAM), and isonicotinamide (INA) were selected as co-formers to form multicomponent solids with 4-chloro-3-sulfamoylbenzoic acid (CSBA). Six new cocrystal forms of CSBA were discovered, and their crystal structures were determined. It was found that PAM and NAM can only form one cocrystal with CSBA, while INA can form up to four cocrystals, including both cocrystal polymorphism and stoichiomorphism. Molecular electrostatic potential analysis and crystal structure analysis showed that the functional group position of PAM limited the diversity of cocrystal synthons, while the lattice energy limited the diversity of cocrystal synthons when NAM acted as a co-former. Only INA was not subject to these restrictions when forming cocrystals. Finally, the influence of solvents on cocrystals was illustrated by determining the ternary phase diagrams. The mechanism of two similar solvents, ethyl acetate, and acetone, controlling the crystallization of cocrystal polymorphism was analyzed by molecular simulations.

Keywords: cocrystal polymorphism, cocrystal stoichiomorphism, phase diagram, molecular simulation

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Authors: Mst. Tuhin Akter, Sharun Akter Khushbu, S. M. Shaqib

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A real-time system architecture is highly effective for monitoring and detecting various damaged products or fruits that may deteriorate over time or become infected with diseases. Deep learning models have proven to be effective in building such architectures. However, building a deep learning model from scratch is a time-consuming and costly process. A more efficient solution is to utilize deep neural network (DNN) based transfer learning models in the real-time monitoring architecture. This study focuses on using a novel strawberry dataset to develop effective transfer learning models for the proposed real-time monitoring system architecture, specifically for evaluating and detecting strawberry freshness. Several state-of-the-art transfer learning models were employed, and the best performing model was found to be Xception, demonstrating higher performance across evaluation metrics such as accuracy, recall, precision, and F1-score.

Keywords: strawberry freshness evaluation, deep neural network, transfer learning, image augmentation

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Authors: Ashlesha Khanapure, Harsh Kashyap, Abhinav Anand, Sanjana Habib, Anupama Bidargaddi

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Technologies that are developing quickly are being developed daily in a variety of disciplines, particularly the medical field. For the purpose of detecting bone fractures in X-ray pictures of different body segments, our work compares the ResNet-50 and MobileNetV3 architectures. It evaluates accuracy and computing efficiency with X-rays of the elbow, hand, and shoulder from the MURA dataset. Through training and validation, the models are evaluated on normal and fractured images. While ResNet-50 showcases superior accuracy in fracture identification, MobileNetV3 showcases superior speed and resource optimization. Despite ResNet-50’s accuracy, MobileNetV3’s swifter inference makes it a viable choice for real-time clinical applications, emphasizing the importance of balancing computational efficiency and accuracy in medical imaging. We created a graphical user interface (GUI) for MobileNet V3 model bone fracture detection. This research underscores MobileNetV3’s potential to streamline bone fracture diagnoses, potentially revolutionizing orthopedic medical procedures and enhancing patient care.

Keywords: CNN, MobileNet V3, ResNet-50, healthcare, MURA, X-ray, fracture detection

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Authors: Vinod Kumar Jatav, Dr. Vrijendra Singh

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WiMAX is an emerging wireless technology designed by WiMAX forum. WiMAX technology delivers broadband internet access with QoS, mobility and robust security. WiMAX is among the prominent mobile broadband wireless technology which laid the foundation for the next generation networks (NGN). The next-generation communication system for railway should facilitate high level network availability, fast mobility for high speed trains with reliability, high handover rate, the firmness of train operations, and high QoS. The system should also be capable to provide various railway services by transmitting big data efficiently. One of the most promising technologies for the next generation railway wireless communication is Mobile WiMAX. This paper analyses some of the network architectures for railway wireless communication and considers the elementary concepts to facilitate the users with broadband internet access on trains. The paper aims to recognize the suitability of Mobile WiMAX technology for the special requirements of broadband internet facilities and wireless telecommunication services of Railways.

Keywords: Broadband internet, IEEE 802.16e, mobile WiMAX, Railway wireless communication

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Authors: Güzi̇n Ti̇rkeş, Özge Teki̇n, Kerem Kurtuluş, Y. Yekta Yurtseven, Murat Baran

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A scanning electron microscope (SEM) is a type of electron microscope mainly used in nanoscience and nanotechnology areas. Automatic image recognition and classification are among the general areas of application concerning SEM. In line with these usages, the present paper proposes a deep learning algorithm that classifies SEM images into nine categories by means of an online application to simplify the process. The NFFA-EUROPE - 100% SEM data set, containing approximately 21,000 images, was used to train and test the algorithm at 80% and 20%, respectively. Validation was carried out using a separate data set obtained from the Middle East Technical University (METU) in Turkey. To increase the accuracy in the results, the Inception ResNet-V2 model was used in view of the Fine-Tuning approach. By using a confusion matrix, it was observed that the coated-surface category has a negative effect on the accuracy of the results since it contains other categories in the data set, thereby confusing the model when detecting category-specific patterns. For this reason, the coated-surface category was removed from the train data set, hence increasing accuracy by up to 96.5%.

Keywords: convolutional neural networks, deep learning, image classification, scanning electron microscope

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Authors: Mengqiu Deng, Xiao Peng, Yang Zhao

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The development of local energy systems requires the collective involvement of different actors from various levels of society. However, the stakeholder analysis of local energy systems still has been under-developed. This paper proposes an multi-agent system (MAS) framework to facilitate the development of stakeholder analysis of local energy systems. The framework takes into account the most influencing stakeholders, including prosumers/consumers, system operators, energy companies and government bodies. Different stakeholders are modeled based on agent architectures for example the belief-desire-intention (BDI) to better reflect their motivations and interests in participating in local energy systems. The agent models of different stakeholders are then integrated in one model of the whole energy system. An illustrative case study is provided to elaborate how to develop a quantitative agent model for different stakeholders, as well as to demonstrate the practicability of the proposed framework. The findings from the case study indicate that the suggested framework and agent model can serve as analytical instruments for enhancing the government’s policy-making process by offering a systematic view of stakeholder interconnections in local energy systems.

Keywords: multi-agent system, BDI agent, local energy systems, stakeholders

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Authors: Helmi Baazaoui, Mounir Zrigui

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This study addresses the challenge of hate speech detection in Tunisian Arabic text, a critical issue for online safety and moderation. Leveraging the strengths of the AraBERT model, we fine-tuned and evaluated its performance against the Bi-LSTM model across four distinct datasets: T-HSAB, TNHS, TUNIZI-Dataset, and a newly compiled dataset with diverse labels such as Offensive Language, Racism, and Religious Intolerance. Our experimental results demonstrate that AraBERT significantly outperforms Bi-LSTM in terms of Recall, Precision, F1-Score, and Accuracy across all datasets. The findings underline the robustness of AraBERT in capturing the nuanced features of Tunisian Arabic and its superior capability in classification tasks. This research not only advances the technology for hate speech detection but also provides practical implications for social media moderation and policy-making in Tunisia. Future work will focus on expanding the datasets and exploring more sophisticated architectures to further enhance detection accuracy, thus promoting safer online interactions.

Keywords: hate speech detection, Tunisian Arabic, AraBERT, Bi-LSTM, Gemini annotation tool, social media moderation

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Authors: Guankai Lin, Wei Tong, Hong Zhu

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The electric current induced Joule heating effects have been investigated in La₀.₈Ba₀.₂MnO₃ ultrathin films deposited on LaAlO₃(001) single crystal substrate with smaller lattice constant by using the sol-gel method. By applying moderate bias currents (~ 10 mA), it is found that Joule self-heating simply gives rise to a temperature deviation between the thermostat and the test sample, but the intrinsic ρ(T) relationship measured at a low current (0.1 mA) changes little. However, it is noteworthy that the low-temperature transport behavior degrades from metallic to insulating state after applying higher bias currents ( > 31 mA) in a vacuum. Furthermore, metallic transport can be recovered by placing the degraded film in air. The results clearly suggest that the oxygen vacancy in the La₀.₈Ba₀.₂MnO₃ films is controllable in different atmospheres, particularly with the aid of the Joule self-heating. According to the SEM images, we attribute the controlled oxygen vacancy to the nano-sized labyrinth pattern of the films, where the large surface-to-volume ratio plays a curial role.

Keywords: controlling oxygen vacancy, joule self-heating, manganite, sol-gel method

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Authors: Fatima Melit, Nedjemeddine Bounar

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Polycrystalline samples of Ce1-xMxO2-δ (x=0.1, 0.15, 0.2)(M=Gd, Y) were prepared by solid-state chemical reaction from mixtures of pre-dried oxides powders of CeO2, Gd2O3 and Y2O3 in the appropriate stoichiometric ratio to explore their use as solid electrolytes for intermediate temperature solid oxide fuel cells (IT-SOFCs). Their crystal structures and ionic conductivities were characterised by X-ray powder diffraction (XRD) and AC complex impedance spectroscopy (EIS). The XRD analyses confirm that all the resulting synthesised co-doped cerium oxide powders are single-phase and crystallise in the cubic structure system with the space group Fm3m. On the one hand, the lattice parameter (a ) of the phases increases with increasing Gd content; on the other hand, with increasing Y-substitution rate, the latter decreases. The results of complex impedance conductivity measurements have shown that doping has a remarkable effect on conductivity. The co-doped cerium phases showed significant ionic conductivity values, making these materials excellent candidates for solid oxide electrolytes at intermediate temperatures.

Keywords: electrolyte, Ceria, X-ray diffraction, EIS, SEM, SOFC

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Authors: A. Kaibi, A. Guittoum, M. Hemmous, D. Martínez-Blanco, P. Gorria, J. A. Blanco, M. Kechouane

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The present work deals with the effect of Si content on the physical properties of nanostructured (Ni75Fe25)100-x Six (x=0, 3.5, 6.5, 9, 12, and 15 at %) powders elaborated by mechanical alloying for a milling time of 96 h. The microstructure, hyperfine, and magnetic properties of the powders were investigated as a function of Si content by means of X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Mössbauer Spectroscopy, and Vibrating Sample magnetometry (VSM). From XRD spectra, the formation of FCC disordered Ni (Fe,Si) solid solution was evidenced after 96 h. As Si content increases, the lattice parameter and the grain size decrease (from ~28 to 15 nm), while the microstrain level decreases from 0.98% to 0.65%. From SEM micrographs, we showed that powder particles become round in shape and decrease in size with increasing Si content. For all Si content, the adjustment of Mössbauer spectra confirmed the formation of a disordered ferromagnetic NiFeSi phase. From hysteresis curves, we have extracted the values of saturation magnetization and coercive field for all powders. The evolution of Ms and Hc as a function of Si content will be discussed.

Keywords: nanostructured powders, (Ni75Fe25)100-xSix alloy, microstructure, magnetic properties

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Authors: Agastya Pratap Singh

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This review paper examines the emerging applications of generative adversarial networks (GANs) in the fields of image recognition and anomaly detection. With the rapid growth of digital image data, the need for efficient and accurate methodologies to identify and classify images has become increasingly critical. GANs, known for their ability to generate realistic data, have gained significant attention for their potential to enhance traditional image recognition systems and improve anomaly detection performance. The paper systematically analyzes various GAN architectures and their modifications tailored for image recognition tasks, highlighting their strengths and limitations. Additionally, it delves into the effectiveness of GANs in detecting anomalies in diverse datasets, including medical imaging, industrial inspection, and surveillance. The review also discusses the challenges faced in training GANs, such as mode collapse and stability issues, and presents recent advancements aimed at overcoming these obstacles.

Keywords: generative adversarial networks, image recognition, anomaly detection, synthetic data generation, deep learning, computer vision, unsupervised learning, pattern recognition, model evaluation, machine learning applications

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Authors: Pooja Seth, Shruti Aggarwal

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The Europium (Eu) doped (0.02-0.1 wt %) lithium fluoride (LiF) crystal in the form of multicrystalline sheet was gown by the edge defined film fed growth (EFG) technique. Crystals were grown in argon gas atmosphere using graphite crucible and stainless steel die. The systematic incorporation of Eu inside the host LiF lattice was confirmed by X-ray diffractometry. Thermoluminescence (TL) glow curve was recorded on annealed (AN) crystals after irradiation with a gamma dose of 15 Gy. The effect of different concentration of Eu in enhancing the thermoluminescence (TL) intensity of LiF was studied. The normalized peak height of the Eu-doped LiF crystal was nearly 12 times that of the LiF crystals. The optimized concentration of Eu in LiF was found to be 0.05wt% at which maximum TL intensity was observed with main TL peak positioned at 185 °C. At higher concentration TL intensity decreases due to the formation of precipitates in the form of clusters or aggregates. The nature of the energy traps in Eu doped LiF was analysed through glow curve deconvolution. The trap depth was found to be in the range of 0.2 – 0.5 eV. These results showed that doping with Eu enhances the TL intensity by creating more defect sites for capturing of electron and holes during irradiation which might be useful for dosimetry application.

Keywords: thermoluminescence, defects, gamma radiation, crystals

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Authors: Pablo Chico De Guzman, Cesar Sanchez

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Microservice architectures are increasingly in distributed cloud applications due to the advantages on the software composition, development speed, release cycle frequency and the business logic time to market. On the other hand, these architectures also introduce some challenges on the testing and release phases of applications. Container technology solves some of these issues by providing reproducible environments, easy of software distribution and isolation of processes. However, there are other issues that remain unsolved in current container technology when dealing with multiple machines, such as networking for multi-host communication, service discovery, load balancing or data persistency (even though some of these challenges are already solved by traditional cloud vendors in a very mature and widespread manner). Container cluster management tools, such as Kubernetes, Mesos or Docker Swarm, attempt to solve these problems by introducing a new control layer where the unit of deployment is the container (or the pod — a set of strongly related containers that must be deployed on the same machine). These tools are complex to configure and manage and they do not follow a pure immutable infrastructure approach since servers are reused between deployments. Indeed, these tools introduce dependencies at execution time for solving networking or service discovery problems. If an error on the control layer occurs, which would affect running applications, specific expertise is required to perform ad-hoc troubleshooting. As a consequence, it is not surprising that container cluster support is becoming a source of revenue for consulting services. This paper presents i2kit, a deployment tool based on the immutable infrastructure pattern, where the virtual machine is the unit of deployment. The input for i2kit is a declarative definition of a set of microservices, where each microservice is defined as a pod of containers. Microservices are built into machine images using linuxkit —- a tool for creating minimal linux distributions specialized in running containers. These machine images are then deployed to one or more virtual machines, which are exposed through a cloud vendor load balancer. Finally, the load balancer endpoint is set into other microservices using an environment variable, providing service discovery. The toolkit i2kit reuses the best ideas from container technology to solve problems like reproducible environments, process isolation, and software distribution, and at the same time relies on mature, proven cloud vendor technology for networking, load balancing and persistency. The result is a more robust system with no learning curve for troubleshooting running applications. We have implemented an open source prototype that transforms i2kit definitions into AWS cloud formation templates, where each microservice AMI (Amazon Machine Image) is created on the fly using linuxkit. Even though container cluster management tools have more flexibility for resource allocation optimization, we defend that adding a new control layer implies more important disadvantages. Resource allocation is greatly improved by using linuxkit, which introduces a very small footprint (around 35MB). Also, the system is more secure since linuxkit installs the minimum set of dependencies to run containers. The toolkit i2kit is currently under development at the IMDEA Software Institute.

Keywords: container, deployment, immutable infrastructure, microservice

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Authors: Mohammed Adamu Musa, Shehu Saminu Babba

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The technological trend towards waste utilization and cost reduction in industrial processing has attracted use of Rice Husk as a value added material. Both rice husk (RH) and Rice Husk Ash (RHA) has been found suitable for wide range of domestic as well as industrial applications. Therefore, the purpose of this research is to produce high grade sodium silicate from rice husk ash by considering the effect of temperature and time of heating as the process variables. The experiment was performed by heating the rice husk at temperatures 500 °C, 600 °C, 700 °C and 800 °C and time 60min, 90min, 120min and 150min were used to obtain the ash. 1.0M of aqueous sodium hydroxide solution was used to dissolve the silicate from the ash, which contained crude sodium silicate. In addition, the ash was neutralized by adding 5M of HCL until the pH reached 3.5 to give silica gel. At 6000C and 120mins, 94.23% silica was obtained from the RHA. At higher temperatures (700 °C and 800 °C) the percentage yield of silica reduced due to surface melting and carbon fixation in the lattice caused by presence of potassium. For this research, 600 °C is considered to be the optimum temperature for silica production from RHA. Silica produced from RHA can generate aggregate value and can be used in areas such as pulp and paper, plastic and rubber reinforcement industries.

Keywords: burning, rice husk, rice husk ash, silica, silica gel, temperature

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Authors: William Whiteley, Jens Gregor

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In recent developments of direct neural network based positron emission tomography (PET) reconstruction, two prominent architectures have emerged for converting measurement data into images: 1) networks that contain fully-connected layers; and 2) networks that primarily use a convolutional encoder-decoder architecture. In this paper, we present a multi-modal direct PET reconstruction method called MDPET, which is a hybrid approach that combines the advantages of both types of networks. MDPET processes raw data in the form of sinograms and histo-images in concert with attenuation maps to produce high quality multi-slice PET images (e.g., 8x440x440). MDPET is trained on a large whole-body patient data set and evaluated both quantitatively and qualitatively against target images reconstructed with the standard PET reconstruction benchmark of iterative ordered subsets expectation maximization. The results show that MDPET outperforms the best previously published direct neural network methods in measures of bias, signal-to-noise ratio, mean absolute error, and structural similarity.

Keywords: deep learning, image reconstruction, machine learning, neural network, positron emission tomography

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Authors: Fuyang Peng, Donghong Li

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The aim of information systems integration is to make all the data sources, applications and business flows integrated into the new environment so that unwanted redundancies are reduced and bottlenecks and mismatches are eliminated. Two issues have to be dealt with to meet such requirements: the software architecture that supports resource integration, and the adaptor development tool that help integration and migration of legacy applications. In this paper, a service-enabled dependable integration environment (SDIE), is presented, which has two key components, i.e., a dependable service integration platform and a legacy application integration tool. For the dependable platform for service integration, the service integration bus, the service management framework, the dependable engine for service composition, and the service registry and discovery components are described. For the legacy application integration tool, its basic organization, functionalities and dependable measures taken are presented. Due to its service-oriented integration model, the light-weight extensible container, the service component combination-oriented p-lattice structure, and other features, SDIE has advantages in openness, flexibility, performance-price ratio and feature support over commercial products, is better than most of the open source integration software in functionality, performance and dependability support.

Keywords: application integration, dependability, legacy, SOA

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Authors: Farouk A. N. Bouhadiba

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This work addresses the issue of the LMD(Licence, Master, Doctorat) in Algeria and the impact it has had on education quality in terms of educational affect and effect. It starts with a brief introduction to the financial means, the educational settings, and the social environment in place when the LMD was institutionalized in Algeria (2003-2004). Some factors for the success or failure of this top-down institutional endeavor are examined and analyzed. These include – among other factors - the teacher/student attitudes, apprehensions, and motivations on the one hand and the institutional euphoria for the LMD in Algeria on the other hand. Some issues at stake are discussed. More specifically, the professional versus the student affect on today’s attitudes, interests, and values is examined as a result of nearly two decades of LMD teaching and learning in Algerian universities. We shall then present some official curricula that, in terms of content, reflect the spirit, principles, and architectures of the LMD but which, in reality, are partially, if not fully, set aside when it comes to teaching practices, learning behaviors, motivation, and evaluation. The discussion on effect highlights attitudinal, developmental, and social markers that are indicative of the extent to which Education Quality in Algeria has been positively or negatively affected by the implementation of the LMD.

Keywords: LMD bachelor's masters doctorat, affects and effects, education quality, Algeria

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Authors: E. Cuevas, M. Feigel'man, L. Ioffe, M. Mezard

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The origin of continuous energy spectrum in large disordered interacting quantum systems is one of the key unsolved problems in quantum physics. While small quantum systems with discrete energy levels are noiseless and stay coherent forever in the absence of any coupling to external world, most large-scale quantum systems are able to produce thermal bath, thermal transport and excitation decay. This intrinsic decoherence is manifested by a broadening of energy levels which acquire a finite width. The important question is: What is the driving force and mechanism of transition(s) between two different types of many-body systems - with and without decoherence and thermal transport? Here, we address this question via two complementary approaches applied to the same model of quantum spin-1/2 system with XY-type exchange interaction and random transverse field. Namely, we develop analytical theory for this spin model on a Bethe lattice and implement numerical study of exact level statistics for the same spin model on random graph. This spin model is relevant to the study of pseudogaped superconductivity and S-I transition in some amorphous materials.

Keywords: strongly correlated electrons, quantum phase transitions, superconductor, insulator

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Authors: Ramzi Rihane, Yassine Benayed

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Epilepsy is a chronic neurological disorder characterized by recurrent, unprovoked seizures resulting from abnormal electrical activity in the brain. Timely and accurate detection of these seizures is essential for improving patient care. In this study, we leverage the UK Bonn University open-source EEG dataset and employ advanced deep-learning techniques to automate the detection of epileptic seizures. By extracting key features from both time and frequency domains, as well as Spectrogram features, we enhance the performance of various deep learning models. Our investigation includes architectures such as Long Short-Term Memory (LSTM), Bidirectional LSTM (Bi-LSTM), 1D Convolutional Neural Networks (1D-CNN), and hybrid CNN-LSTM and CNN-BiLSTM models. The models achieved impressive accuracies: LSTM (98.52%), Bi-LSTM (98.61%), CNN-LSTM (98.91%), CNN-BiLSTM (98.83%), and CNN (98.73%). Additionally, we utilized a data augmentation technique called SMOTE, which yielded the following results: CNN (97.36%), LSTM (97.01%), Bi-LSTM (97.23%), CNN-LSTM (97.45%), and CNN-BiLSTM (97.34%). These findings demonstrate the effectiveness of deep learning in capturing complex patterns in EEG signals, providing a reliable and scalable solution for real-time seizure detection in clinical environments.

Keywords: electroencephalogram, epileptic seizure, deep learning, LSTM, CNN, BI-LSTM, seizure detection

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Authors: H. Krarcha

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The structural, elastic, vibrational and thermal properties of AHfO3 compounds with the cubic perovskites structure have been investigated, by employing a first principles method, using the plane wave pseudo potential calculations (PP-PW), based on the density functional theory (DFT), within the local density approximation (LDA). The optimized lattice parameters, independent elastic constants (C11, C12 and C44), bulk modulus (B), compressibility (b), shear modulus (G), Young’s modulus (Y ), Poisson’s ratio (n), Lame´’s coefficients (m, l), as well as band structure, density of states and electron density distributions are obtained and analyzed in comparison with the available theoretical and experimental data. For the first time the numerical estimates of elastic parameters of the polycrystalline AHfO3 ceramics (in framework of the VoigteReusseHill approximation) are performed. The quasi-harmonic Debye model, by means of total energy versus volume calculations obtained with the FP-LAPW method, is applied to study the thermal and vibrational effects. Predicted temperature and pressure effects on the structural parameters, thermal expansions, heat capacities, and Debye temperatures are determined from the non-equilibrium Gibbs functions.

Keywords: Hafnium, elastic propreties, first principles calculation, perovskite

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Authors: Megha Gupta, Nupur Prakash

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Identification of plant diseases has been performed using machine learning and deep learning models on the datasets containing images of healthy and diseased plant leaves. The current study carries out an evaluation of some of the deep learning models based on convolutional neural network (CNN) architectures for identification of plant diseases. For this purpose, the publicly available New Plant Diseases Dataset, an augmented version of PlantVillage dataset, available on Kaggle platform, containing 87,900 images has been used. The dataset contained images of 26 diseases of 14 different plants and images of 12 healthy plants. The CNN models selected for the study presented in this paper are AlexNet, ZFNet, VGGNet (four models), GoogLeNet, and ResNet (three models). The selected models are trained using PyTorch, an open-source machine learning library, on Google Colaboratory. A comparative study has been carried out to analyze the high degree of accuracy achieved using these models. The highest test accuracy and F1-score of 99.59% and 0.996, respectively, were achieved by using GoogLeNet with Mini-batch momentum based gradient descent learning algorithm.

Keywords: comparative analysis, convolutional neural networks, deep learning, plant disease identification

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Authors: Omer Oral, Y. Emre Yilmaz

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Topology optimization is an approach that optimizes material distribution within a given design space for a certain load and boundary conditions by providing performance goals. It uses various restrictions such as boundary conditions, set of loads, and constraints to maximize the performance of the system. It is different than size and shape optimization methods, but it reserves some features of both methods. In this study, interior structures of the parts were optimized by using SIMP (Solid Isotropic Material with Penalization) method. The volume of the part was preassigned parameter and minimum deflection was the objective function. The basic idea behind the theory was considered, and different methods were discussed. Rhinoceros 3D design tool was used with Grasshopper and TopOpt plugins to create and optimize parts. A Grasshopper algorithm was designed and tested for different beams, set of arbitrary located forces and support types such as pinned, fixed, etc. Finally, 2.5D shapes were obtained and verified by observing the changes in density function.

Keywords: Grasshopper, lattice structure, microstructures, Rhinoceros, solid isotropic material with penalization method, TopOpt, topology optimization

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Authors: Daniel Gonzales, Zev Winkelman, Trung Tran, Ricardo Sanchez, Dulani Woods, John Hollywood

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We have developed a distributed computing capability, Digital Forensics Compute Cluster (DFORC2) to speed up the ingestion and processing of digital evidence that is resident on computer hard drives. DFORC2 parallelizes evidence ingestion and file processing steps. It can be run on a standalone computer cluster or in the Amazon Web Services (AWS) cloud. When running in a virtualized computing environment, its cluster resources can be dynamically scaled up or down using Kubernetes. DFORC2 is an open source project that uses Autopsy, Apache Spark and Kafka, and other open source software packages. It extends the proven open source digital forensics capabilities of Autopsy to compute clusters and cloud architectures, so digital forensics tasks can be accomplished efficiently by a scalable array of cluster compute nodes. In this paper, we describe DFORC2 and compare it with a standalone version of Autopsy when both are used to process evidence from hard drives of different sizes.

Keywords: digital forensics, cloud computing, cyber security, spark, Kubernetes, Kafka

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Authors: Jing Ning, Kunyuan Gao

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The microstructure and phase structure of Al-Er alloys with Er content of 10, 20, 30wt% at cooling rate of 60, 40 and 5℃/h were analyzed using scanning electron microscope (SEM) and X-ray diffraction (XRD). Experimental results showed that for solidification of the hypereutectic Al-Er alloys at different conditions, a halo of α-Al appeared around the primary Al₃Er phase. Analysis of the solidification process indicated that after the primary Al₃Er phase formed, the composition of supercooled liquid phase located outside the coupled zone of eutectic growth below the eutectic line, which leaded to the formation of Al halo. With the increase of Er content, the blocky primary Al₃Er phase expanded from 200μm to 1mm in size. With the decrease of cooling rate, the morphology and phase structure of alloy were different. At the cooling rate of 60℃/h, it was obtained the primary Al3Er phase with L1₂ structure, whose profile was straight. Meanwhile, the eutectic structure was flocculent. At the quite slow cooling rate of 5℃/h, it was obtained the primary Al₃Er phase with hR20 structure with irregular jagged profile, and the eutectic structure was approximately strip-shaped. These characteristics were closely related to the cooling rate of solidification. The XRD analysis showed that for Al₃Er phase, the lattice constant a of L1₂ structure was 4.2158Å, and a, c of hR20 structure were 6.0321Å and 35.6290Å, respectively.

Keywords: Al-Er alloy, composition, cooling rate, microstructure

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Authors: Benallou Yassine, Amara Kadda, Bouazza Boubakar, Soudini Belabbes, Arbouche Omar, M. Zemouli

Abstract:

The study of the pressure effect on the materials, their functionality and their properties is very important, insofar as it provides the opportunity to identify others applications such the optical properties in the alkaline earth chalcogenides, as like the SrS. Here we present the first-principles calculations which have been performed using the full potential linearized augmented plane wave method (FP-LAPW) within the Generalized Gradient Approximation developed by Perdew–Burke–Ernzerhor for solids (PBEsol). The calculated structural parameters like the lattice parameters, the bulk modulus B and their pressure derivative B' are in reasonable agreement with the available experimental and theoretical data. In addition, the elastic properties such as elastic constants (C11, C12, and C44), the shear modulus G, the Young modulus E, the Poisson’s ratio ν and the B/G ratio are also given. The treatments of exchange and correlation effects were done by the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential for the electronic. The pressure effect on the electronic properties was visualized by calculating the variations of the gap as a function of pressure. The obtained results are compared to available experimental data and to other theoretical calculations

Keywords: SrS, GGA-PBEsol+TB-MBJ, density functional, Perdew–Burke–Ernzerhor, FP-LAPW, pressure effect

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Authors: B. Kahouadji, L. Guerbous, L. Lamiri, A. Mendoud

Abstract:

Recently, nanomaterials are developed in the form of nano-films, nano-crystals and nano-pores. Lanthanide phosphates as a material find extensive application as laser, ceramic, sensor, phosphor, and also in optoelectronics, medical and biological labels, solar cells and light sources. Among the different kinds of rare-earth orthophosphates, yttrium orthophosphate has been shown to be an efficient host lattice for rare earth activator ions, which have become a research focus because of their important role in the field of light display systems, lasers, and optoelectronic devices. It is in this context that the 4fn- « 4fn-1 5d transitions of rare earth in insulating materials, lying in the UV and VUV, are the aim of large number of studies .Though there has been a few reports on Eu3+, Nd3+, Pr3+,Er3+, Ce3+, Tm3+ doped YPO4. The 4fn- « 4fn-1 5d transitions of the rare earth dependent to the host-matrix, several matrices ions were used to study these transitions, in this work we are suggesting to study on a very specific class of inorganic material that are orthophosphate doped with rare earth ions. This study focused on the effect of Ce3+ concentration on the structural and optical properties of Ce3+ doped YPO4 yttrium orthophosphate with powder form prepared by the Sol Gel method.

Keywords: YPO4, Ce3+, 4fn- <->4fn-1 5d transitions, scintillator

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Authors: Duy M. P. Vo, Cornelia Sennewald, Gerald Hoffmann, Chokri Cherif

Abstract:

The development of solutions to improve the resistance of buildings to short-term dynamic loads, particularly impact load, is driven by the urgent demand worldwide on securing human life and critical infrastructures. The research training group GRK 2250/1 aims to develop mineral-bonded composites that allow the fabrication of thin-layered strengthening layers providing available concrete members with enhanced impact resistance. This paper presents the development of 3D woven wire cellular structures that can be used as innovative reinforcement for targeted composites. 3D woven wire cellular structures are truss-like architectures that can be fabricated in an automatized process with a great customization possibility. The specific architecture allows this kind of structures to have good load bearing capability and forming behavior, which is of great potential to give strength against impact loading. An appropriate combination of topology and material enables an optimal use of thin-layered reinforcement in concrete constructions.

Keywords: 3D woven cellular structures, ductile behavior, energy absorption, fiber-based reinforced concrete, impact resistant

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Authors: Karkour Selma

Abstract:

We conducted first principles full potential calculations using the Wien2k code to explore the structural, electronic, magnetic, and optical properties of SiNi₂O₄, a cubic normal spinel oxide. Our calculations, based on the GGA-PBEsol of the generalized gradient approximation, revealed several key findings. The spinel oxides exhibited a stable cubic structure in the ferromagnetic phase and showed 100% spin polarization. We determined the equilibrium lattice constant and internal parameter values. In terms of the electronic properties, we observed a direct bandgap of 2.68 eV for the spin-up configuration, while the spin-down configuration exhibited an indirect bandgap of 0.82 eV. Additionally, we calculated the total density of states and partial densities for each atom, finding a magnetic moment spin density of states of 8.0 μB per formula unit. The optical properties have been calculated. The real, Ԑ₁(ω) and the imaginary, Ԑ₂(ω) parts of the complex dielectric constants, refractivity, reflection and energy loss when light scattered from the material. The absorption region spanned from 1.5 eV to 14 eV, with significant intensity. The calculated results confirm the suitability of this material for optical and spintronic devices application.

Keywords: DFT, spintronic, GGA, spinel

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