Search results for: computational scalability

Authors: Zineb Ouahdi

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Spirocyclic compound derivatives, with their unique heterocyclic motifs, serve as a continual source of inspiration in the pursuit of developing potential therapeutic agents. These compounds are diverse in their chemical structures; some have fully saturated skeletons, while others are partially unsaturated. Nevertheless, these compounds share a characteristic feature with natural products - the presence of at least one heteroatom in one of their rings. The inclusion of a C = O dipolarophile in pyridazinones imparts an exciting aspect for 1,3-dipolar cycloaddition reactions, the focal point of our study. Our research has involved a detailed theoretical investigation of the reaction between ethyl (Z)-2-bromo-2-(2-(p-tolyl)hydrazono)acetate and 6-methyl-4,5-dihydropyridazine-3(2H)-one. This has been accomplished using the DFT/B3LYP/6-31g(d,p) method, intending to illuminate the chemical pathway of this reaction. The chemical reactivity theories we used for this purpose included FMO, TS, and local and global indices derived from conceptual DFT. The theoretical framework outlined in this study allowed us to propose a reaction mechanism for cycloaddition reactions. It also enabled the identification of the potential activities of the analyzed compounds (P1, P2, P3, P4, P5, and P6) against the major protease of the coronavirus disease (COVID-19). This was achieved using various computational tools, including AutoDock Tools, Autodock Vina, Autodock 4, and PYRX.

Keywords: MEDT, pyridazin, cycloaddition, FMO, DFT, docking

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Authors: Shu Yin, Zhiyang Ding, Jianzhong Huang, Xiaojun Ruan, Xiaomin Zhu, Xiao Qin

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Since large-scale and data-intensive applications have been widely deployed, there is a growing demand for high-performance storage systems to support data-intensive applications. Compared with traditional storage systems, next-generation systems will embrace dedicated processor to reduce computational load of host machines and will have hybrid combinations of different storage devices. The advent of flash- memory-based solid state disk has become a critical role in revolutionizing the storage world. However, instead of simply replacing the traditional magnetic hard disk with the solid state disk, it is believed that finding a complementary approach to corporate both of them is more challenging and attractive. This paper explores an idea of active storage, an emerging new storage configuration, in terms of the architecture and design, the parallel processing capability, the cooperation of other machines in cluster computing environment, and a disk configuration, the hybrid combination of different types of disk drives. Experimental results indicate that the proposed HcDD achieves better I/O performance and longer storage system lifespan.

Keywords: arallel storage system, hybrid storage system, data inten- sive, solid state disks, reliability

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Authors: Chayanika Hazarika Bordoloi

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This paper is an attempt to work on a highly inflectional language called Assamese. This is also one of the national languages of India and very little has been achieved in terms of computational research. Building a language processing tool for a natural language is not very smooth as the standard and language representation change at various levels. This paper presents inflectional suffixes of Assamese verbs and how the statistical tools, along with linguistic features, can improve the tagging accuracy. Conditional random fields (CRF tool) was used to automatically tag and train the text data; however, accuracy was improved after linguistic featured were fed into the training data. Assamese is a highly inflectional language; hence, it is challenging to standardizing its morphology. Inflectional suffixes are used as a feature of the text data. In order to analyze the inflections of Assamese word forms, a list of suffixes is prepared. This list comprises suffixes, comprising of all possible suffixes that various categories can take is prepared. Assamese words can be classified into inflected classes (noun, pronoun, adjective and verb) and un-inflected classes (adverb and particle). The corpus used for this morphological analysis has huge tokens. The corpus is a mixed corpus and it has given satisfactory accuracy. The accuracy rate of the tagger has gradually improved with the modified training data.

Keywords: CRF, morphology, tagging, tagset

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Authors: Mohamed Z. M. Duwahir, Shian Gao

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The main objective of this project was to introduce and test a new scheme for parameterization of subsonic aerofoil, using a function called Shape Function. Python programming was used to create a user interactive environment for geometry generation of aerofoil using NACA and Shape Function methodologies. Two aerofoils, NACA 0012 and NACA 1412, were generated using this function. Testing the accuracy of the Shape Function scheme was done by Linear Square Fitting using Python and CFD modelling the aerofoil in Fluent. NACA 0012 (symmetrical aerofoil) was better approximated using Shape Function than NACA 1412 (cambered aerofoil). The second part of the project involved comparing two turbulent models, k-ε and Spalart-Allmaras (SA), in Fluent by modelling the aerofoils NACA 0012 and NACA 1412 in conditions of Reynolds number of 3 × 106. It was shown that SA modelling is better for aerodynamic purpose. The experimental coefficient of lift (Cl) and coefficient of drag (Cd) were compared with empirical wind tunnel data for a range of angle of attack (AOA). As a further step, this project involved drawing and meshing 3D wings in Gambit. The 3D wing flow was solved and compared with 2D aerofoil section experimental results and wind tunnel data.

Keywords: CFD simulation, shape function, turbulent modelling, aerofoil

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Authors: Yanan Zhu

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Based on the previous work about the influence mechanism of the mobility difference of phenyl and thienyl substituent semiconductors, we have made further exploration towards to design high-performance organic thin-film transistors. The substituent groups effect plays a significant role in materials properties and device performance as well. For the theoretical study, simulation of materials property and crystal packing can supply scientific guidance for materials synthesis in experiments. This time, we have taken the computational methods to design a new material substituent with furan groups, which are the potential to be used in organic thin-film transistors and organic single-crystal transistors. The reorganization energy has been calculated and much lower than 2,6-diphenyl anthracene (DPAnt), which performs large mobility as more than 30 cm²V⁻¹s⁻¹. Moreover, the other important parameter, charge transfer integral is larger than DPAnt, which suggested the furan substituent material may get a much better charge transport data. On the whole, the mechanism investigation based on phenyl and thienyl assisted in designing novel materials with furan substituent, which is predicted to be an outperformed organic field-effect transistors.

Keywords: theoretical calculation, mechanism, mobility, organic transistors

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Authors: Maedeh Rahimnejad, Bahman Vahidi, Bahman Ebrahimi Hoseinzadeh, Fatemeh Yazdian, Puria Motamed Fath, Roghieh Jamjah

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Introduction: The intensive labor and high cost of developing new vehicles for controlled drug delivery highlights the need for a change in their discovery process. Computational models can be used to accelerate experimental steps and control the high cost of experiments. Methods: In this work, to better understand the interaction of anti-cancer drug and the nanocarrier with the cell membrane, we have done molecular dynamics simulation using NAMD. We have chosen paclitaxel for the drug molecule and dipalmitoylphosphatidylcholine (DPPC) as a natural phospholipid nanocarrier. Results: Next, center of mass (COM) between molecules and the van der Waals interaction energy close to the cell membrane has been analyzed. Furthermore, the simulation results of the paclitaxel interaction with the cell membrane and the interaction of DPPC as a nanocarrier loaded by the drug with the cell membrane have been compared. Discussion: Analysis by molecular dynamics (MD) showed that not only the energy between the nanocarrier and the cell membrane is low, but also the center of mass amount decreases in the nanocarrier and the cell membrane system during the interaction; therefore they show significantly better interaction in comparison to the individual drug with the cell membrane.

Keywords: anti-cancer drug, center of mass, interaction energy, molecular dynamics simulation, nanocarrier

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Authors: Mohamed Y. M. Mohsen

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The viability of utilising mixed-oxide fuel (MOX) ((U₀.₉, rgPu₀.₁) O₂) as an accident-tolerant fuel (ATF) has been thoroughly investigated. MOX fuel provides the best example of a nuclear waste recycling process. The MCNPX 2.7 code was used to determine the main neutronic features, especially the radial power distribution, to identify the hot channel on which the thermal-hydraulic (TH) study was performed. Based on the computational fluid dynamics technique, the simulation of the rod-centered thermal-hydraulic subchannel model was implemented using COMSOL Multiphysics. TH analysis was utilised to determine the axially and radially distributed temperatures of the fuel and cladding materials, as well as the departure from the nucleate boiling ratio (DNBR) along the coolant channel. COMSOL Multiphysics can simulate reality by coupling multiphysics, such as coupling between heat transfer and solid mechanics. The main solid structure parameters, such as the von Mises stress, volumetric strain, and displacement, were simulated using this coupling. When the neutronic, TH, and solid structure performances of UO₂ and ((U₀.₉, rgPu₀.₁) O₂) were compared, the results showed considerable improvement and an increase in safety margins with the use of ((U₀.₉, rgPu₀.₁) O₂).

Keywords: mixed-oxide, MCNPX, neutronic analysis, COMSOL-multiphysics, thermal-hydraulic, solid structure

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Authors: Aditya, Ganapati Joshi, Vinod Kumar

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IN THE MODERN-WARFARE ERA, THE PRIME REQUIREMENT IS A HIGH SPEED AND MACH NUMBER. WHEN THE MISSILES STRIKE IN THE HYPERSONIC REGIME THE OPPONENT CAN DETECT IT WITH THE ANTI-DEFENSE SYSTEM BUT CAN NOT STOP IT FROM CAUSING DAMAGE. SO, TO ACHIEVE THE SPEEDS OF THIS LEVEL THERE ARE TWO ENGINES THAT ARE AVAILABLE WHICH CAN WORK IN THIS REGION ARE RAMJET AND SCRAMJET. THE PROBLEM WITH RAMJET STARTS TO OCCUR WHEN MACH NUMBER EXCEEDS 4 AS THE STATIC PRESSURE AT THE INLET BECOMES EQUAL TO THE EXIT PRESSURE. SO, SCRAMJET ENGINE DEALS WITH THIS PROBLEM AS IT NEARLY HAS THE SAME WORKING BUT HERE THE FLOW IS NOT MUCH SLOWED DOWN AS COMPARED TO RAMJET IN THE DIFFUSER BUT IT SUFFERS FROM THE PROBLEMS SUCH AS INLET BUZZ, THERMAL CHOCKING, MIXING OF FUEL AND OXIDIZER, THERMAL HEATING, AND MANY MORE. HERE THE NEW ENGINE IS DEVELOPED ON THE SAME PRINCIPLE AS THE SCRAMJET ENGINE BUT BURNING HAPPENS DUE TO DETONATION INSTEAD OF DEFLAGRATION. THE PROBLEM WITH THE ENGINE STARTS WHEN THE MACH NUMBER BECOMES VARIABLE AND THE INLET GEOMETRY IS FIXED AND THIS LEADS TO INLET SPILLAGE WHICH WILL AFFECT THE THRUST ADVERSELY. SO, HERE ADAPTIVE INLET IS MADE OF SHAPE MEMORY ALLOYS WHICH WILL ENHANCE THE INLET MASS FLOW RATE AS WELL AS THRUST.

Keywords: detonation, ramjet engine, shape memory alloy, ignition delay, shock-boundary layer interaction, eddy dissipation, asymmetric nozzle

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Authors: Jörg Lenhardt, Wolfram Schiffmann, Jörg Keller

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While the feature sizes of recent Complementary Metal Oxid Semiconductor (CMOS) devices decrease the influence of static power prevails their energy consumption. Thus, power savings that benefit from Dynamic Frequency and Voltage Scaling (DVFS) are diminishing and temporal shutdown of cores or other microchip components become more worthwhile. A consequence of powering off unused parts of a chip is that the relative difference between idle and fully loaded power consumption is increased. That means, future chips and whole server systems gain more power saving potential through power-aware load balancing, whereas in former times this power saving approach had only limited effect, and thus, was not widely adopted. While powering off complete servers was used to save energy, it will be superfluous in many cases when cores can be powered down. An important advantage that comes with that is a largely reduced time to respond to increased computational demand. We include the above developments in a server power model and quantify the advantage. Our conclusion is that strategies from datacenters when to power off server systems might be used in the future on core level, while load balancing mechanisms previously used at core level might be used in the future at server level.

Keywords: power efficiency, static power consumption, dynamic power consumption, CMOS

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Authors: Ahmet Y. Gurkan, Cagatay S. Koksal, Cagri Aydin, U. Oral Unal

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The present paper covers the viscous flow computations for the asymmetric diffuser section of a large, high-speed cavitation tunnel which will be constructed in Istanbul Technical University. The analyses were carried out by using the incompressible Reynold-Averaged-Navier-Stokes equations. While determining the diffuser geometry, a high quality, separation-free flow field with minimum energy loses was particularly aimed. The expansion angle has a critical role on the diffuser hydrodynamic performance. In order obtain a relatively short diffuser length, due to the constructive limitations, and hydrodynamic energy effectiveness, three diffuser sections with varying expansion angles for side and bottom walls were considered. A systematic study was performed to determine the most effective diffuser configuration. The results revealed that the inlet condition of the diffuser greatly affects its flow field. The inclusion of the contraction section in the computations substantially modified the flow topology in the diffuser. The effect of the diffuser flow on the test section flow characteristics was clearly observed. The influence of the introduction of small chamfers at the corners of the diffuser geometry is also presented.

Keywords: asymmetric diffuser, diffuser design, cavitation tunnel, viscous flow, computational fluid dynamics (CFD), rans

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Authors: Siddharth Ojha, Varun Dua

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Classified as one of the most important reasons of aerodynamic drag in the sedan automobiles is the fluid flow separation near the vehicle’s rear end. To retard the separation of flow, bump-shaped vortex generators are being tested for its implementation to the roof end of a sedan vehicle. Frequently used in the aircrafts to prevent the separation of fluid flow, vortex generators themselves produce drag, but they also substantially reduce drag by preventing flow separation at the downstream. The net effects of vortex generators can be calculated by summing the positive and negative impacts and effects. Since this effect depends on dimensions and geometry of vortex generators, those present on the vehicle roof are optimized for maximum efficiency and performance. The model was tested through ANSYS CFD analysis and modeling. The model was tested in the wind tunnel for observing it’s properties such as aerodynamic drag and flow separation and a major time lag was gained by employing vortex generators in the scaled model. Major conclusions which were recorded during the analysis were a substantial 24% reduction in the aerodynamic drag and 14% increase in the efficiency of the sedan automobile as the flow separation from the surface is delayed. This paper presents the results of optimization, the effect of vortex generators in the flow field and the mechanism by which these effects occur and are regulated.

Keywords: aerodynamics, aerodynamic devices, body, computational fluid dynamics (CFD), flow visualization

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Authors: M. Agostini, A. Sonato, G. Greco, M. Travagliati, G. Ruffato, E. Gazzola, D. Liuni, F. Romanato, M. Cecchini

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Since their first demonstration in the early 1980s, surface plasmon resonance (SPR) sensors have been widely recognized as useful tools for detecting chemical and biological species, and the interest of the scientific community toward this technology has known a rapid growth in the past two decades owing to their high sensitivity, label-free operation and possibility of real-time detection. Recent works have suggested that a turning point in SPR sensor research would be the combination of SPR strategies with other technologies in order to reduce human handling of samples, improve integration and plasmonic sensitivity. In this light, microfluidics has been attracting growing interest. By properly designing microfluidic biochips it is possible to miniaturize the analyte-sensitive areas with an overall reduction of the chip dimension, reduce the liquid reagents and sample volume, improve automation, and increase the number of experiments in a single biochip by multiplexing approaches. However, as the fluidic channel dimensions approach the micron scale, laminar flows become dominant owing to the low Reynolds numbers that typically characterize microfluidics. In these environments mixing times are usually dominated by diffusion, which can be prohibitively long and lead to long-lasting biochemistry experiments. An elegant method to overcome these issues is to actively perturb the liquid laminar flow by exploiting surface acoustic waves (SAWs). With this work, we demonstrate a new approach for SPR biosensing based on the combination of microfluidics, SAW-induced mixing and the real-time phase-interrogation grating-coupling SPR technology. On a single lithium niobate (LN) substrate the nanostructured SPR sensing areas, interdigital transducer (IDT) for SAW generation and polydimethylsiloxane (PDMS) microfluidic chambers were fabricated. SAWs, impinging on the microfluidic chamber, generate acoustic streaming inside the fluid, leading to chaotic advection and thus improved fluid mixing, whilst analytes binding detection is made via SPR method based on SPP excitation via gold metallic grating upon azimuthal orientation and phase interrogation. Our device has been fully characterized in order to separate for the very first time the unwanted SAW heating effect with respect to the fluid stirring inside the microchamber that affect the molecules binding dynamics. Avidin/biotin assay and thiol-polyethylene glycol (bPEG-SH) were exploited as model biological interaction and non-fouling layer respectively. Biosensing kinetics time reduction with SAW-enhanced mixing resulted in a ≈ 82% improvement for bPEG-SH adsorption onto gold and ≈ 24% for avidin/biotin binding—≈ 50% and 18% respectively compared to the heating only condition. These results demonstrate that our biochip can significantly reduce the duration of bioreactions that usually require long times (e.g., PEG-based sensing layer, low concentration analyte detection). The sensing architecture here proposed represents a new promising technology satisfying the major biosensing requirements: scalability and high throughput capabilities. The detection system size and biochip dimension could be further reduced and integrated; in addition, the possibility of reducing biological experiment duration via SAW-driven active mixing and developing multiplexing platforms for parallel real-time sensing could be easily combined. In general, the technology reported in this study can be straightforwardly adapted to a great number of biological system and sensing geometry.

Keywords: biosensor, microfluidics, surface acoustic wave, surface plasmon resonance

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Authors: Junhai Liao, Yansong Shen, Aibing Yu

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A 3D numerical model is developed to simulate the complicated in-furnace combustion phenomena in the lower part of an ironmaking blast furnace (BF) while using pulverized coal injection (PCI) technology to reduce the consumption of relatively expensive coke. The computational domain covers blowpipe-tuyere-raceway-coke bed in the BF. The model is validated against experimental data in terms of gaseous compositions and coal burnout. Parameters, such as coal properties and some key operational variables, play an important role on the performance of coal combustion. Their diverse effects on different combustion characteristics are examined in the domain, in terms of gas compositions, temperature, and burnout. The heat generated by the combustion of upgraded Victorian brown coal is able to meet the heating requirement of a BF, hence making upgraded brown coal injected into BF possible. It is evidenced that the model is suitable to investigate the mechanism of the PCI operation in a BF. Prediction results provide scientific insights to optimize and control of the PCI operation. This model cuts the cost to investigate and understand the comprehensive combustion phenomena of upgraded Victorian brown coal in a full-scale BF.

Keywords: blast furnace, numerical study, pulverized coal injection, Victorian brown coal

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Authors: Mohammad Vahed, Ana Sadeghitohidi, Majid Vahed, Hiroki Takahashi

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In the genomics field, the huge amounts of data have produced by the next-generation sequencers (NGS). Data volumes are very rapidly growing, as it is postulated that more than one billion bases will be produced per year in 2020. The growth rate of produced data is much faster than Moore's law in computer technology. This makes it more difficult to deal with genomics data, such as storing data, searching information, and finding the hidden information. It is required to develop the analysis platform for genomics big data. Cloud computing newly developed enables us to deal with big data more efficiently. Hadoop is one of the frameworks distributed computing and relies upon the core of a Big Data as a Service (BDaaS). Although many services have adopted this technology, e.g. amazon, there are a few applications in the biology field. Here, we propose a new algorithm to more efficiently deal with the genomics big data, e.g. sequencing data. Our algorithm consists of two parts: First is that BDaaS is applied for handling the data more efficiently. Second is that the hybrid method of MapReduce and Fuzzy logic is applied for data processing. This step can be parallelized in implementation. Our algorithm has great potential in computational analysis of genomics big data, e.g. de novo genome assembly and sequence similarity search. We will discuss our algorithm and its feasibility.

Keywords: big data, fuzzy logic, MapReduce, Hadoop, cloud computing

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Authors: Kushal Kumar Chode

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Increase in demand for fuel saving and demand for faster vehicles with decent fuel economy, researchers around the world started investigating in various passive flow control devices to improve the fuel efficiency of vehicles. In this paper, A roof fairing was investigated for reducing the aerodynamic drag of a bluff body. The bluff body considered for this work is Ahmed model with a rake angle of 25deg was and subjected to flow with a velocity of 40m/s having Reynolds number of 2.68million was analysed using a commercial Computational Fluid Dynamic (CFD) code Star CCM+. It was evident that pressure drag is the main source of drag on an Ahmed body from the initial study. Adding a roof fairing has delayed the flow separation and resulted in delaying wake formation, thus improving the pressure in near weak and reducing the wake region. Adding a roof fairing of height and length equal to 1/7H and 1/3L respectively has shown a drag reduction by 9%. However, an optimised fairing, which was obtained by changing height, length and width by 5% increase, recorded a drag reduction close 12%.

Keywords: Ahmed model, aerodynamic drag, passive flow control, roof fairing, wake formation

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Authors: Mondal Indranil, Bhakat Debjyoti, Mukhopadayay Asish K., Chatterjee Nabendu S.

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CS6 is the prevalent CF in our region and deciphering its molecular regulators would play a pivotal role in reducing the burden of ETEC pathogenesis. In prokaryotes, most of the genes are under the control of one operon and the promoter present upstream of the gene regulates the transcription of that gene. Here the promoter of CS6 was characterized by computational method and further analyzed by β-galactosidase assay and sequencing. Promoter constructs and deletions were prepared as required to analyze promoter activity. The effect of different additives on the CS6 promoter was analysed by the β-galactosidase assay. Bioinformatics analysis done by Softberry/BPROM predicted fur, lrp, and crp boxes, -10 and -35 region upstream of the CS6 gene. The promoter construction in no promoter plasmid pTL61T showed that region -573 to +1 is actually the promoter region as predicted. Sequential deletion of the region upstream of CS6 revealed that promoter activity remains the same when -573bp to -350bp is deleted. But after the deletion of the upstream region -350 bp to -255bp, promoter expression decreases drastically to 26%. Further deletion also decreases promoter activity up to a little range. So the region -355bp to -255bp holds the promoter sequence for the CS6 gene. Additives like iron, NaCl, etc., modulate promoter activity in a dose-dependent manner. From the promoter analysis, it can be said that the minimum region lies between -254 and +1. Important region(s) lies between -350 bp to -255 bp upstream in the promoter, which might have important elements needed to control CS6 gene expression.

Keywords: microbiology, promoter, colonization factor, ETEC

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Authors: Husam Kaid, Abdulrahman Al-Ahmari, Zhiwu Li

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This paper develops a robust deadlock control technique for shared and unreliable resources in automated manufacturing systems (AMSs) based on structural analysis and colored Petri nets, which consists of three steps. The first step involves using strict minimal siphon control to create a live (deadlock-free) system that does not consider resource failure. The second step uses an approach based on colored Petri net, in which all monitors designed in the first step are merged into a single monitor. The third step addresses the deadlock control problems caused by resource failures. For all resource failures in the Petri net model a common recovery subnet based on colored petri net is proposed. The common recovery subnet is added to the obtained system at the second step to make the system reliable. The proposed approach is evaluated using an AMS from the literature. The results show that the proposed approach can be applied to an unreliable complex Petri net model, has a simpler structure and less computational complexity, and can obtain one common recovery subnet to model all resource failures.

Keywords: automated manufacturing system, colored Petri net, deadlocks, siphon

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Authors: Aicha Bouhlala, Sabah Chettibi

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Doping CeO₂ with transition metals is an effective way of tuning its properties. In the present work, we have performed self-consistent ab-initio calculation using the full-potential linearized augmented plane-wave method (FP-LAPW), based on the density functional theory (DFT) as implemented in the Wien2k simulation code to study the structural, electronic, and magnetic properties of the compound Ce₁₋ₓCuₓO₂ (x=12.5%) fluorite type oxide and to explore the effects of dopant Cu in ceria. The exchange correlation potential has been treated using the Perdew-Burke-Eenzerhof revised of solid (PBEsol). In structural properties, the equilibrium lattice constant is observed for the compound, which exists within the value of 5.382 A°. In electronic properties, the spin-polarized electronic bandstructure elucidates the semiconductor nature of the material in both spin channels, with the compound was observed to have a narrow bandgap on the spin-down configuration (0.162 EV) and bandgap on the spin-up (2.067 EV). Hence, the doped atom Cu plays a vital role in increasing the magnetic moments of the supercell, and the value of the total magnetic moment is found to be 2.99438 μB. Therefore, the compound Cu-doped CeO₂ shows a strong ferromagnetic behavior. The predicted results propose the compound could be a good candidate for spintronics applications.

Keywords: Cu-doped CeO₂, DFT, Wien2k, properties

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Authors: Mahmut Yildirim

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This paper proposed the bidirectional long short-term memory (Bi-LSTM) network-aided deep learning (DL)-based signal detection for Orthogonal frequency division multiplexing with all index modulation (OFDM-AIM), namely Bi-DeepAIM. OFDM-AIM is developed to increase the spectral efficiency of OFDM with index modulation (OFDM-IM), a promising multi-carrier technique for communication systems beyond 5G. In this paper, due to its strong classification ability, Bi-LSTM is considered an alternative to the maximum likelihood (ML) algorithm, which is used for signal detection in the classical OFDM-AIM scheme. The performance of the Bi-DeepAIM is compared with LSTM network-aided DL-based OFDM-AIM (DeepAIM) and classic OFDM-AIM that uses (ML)-based signal detection via BER performance and computational time criteria. Simulation results show that Bi-DeepAIM obtains better bit error rate (BER) performance than DeepAIM and lower computation time in signal detection than ML-AIM.

Keywords: bidirectional long short-term memory, deep learning, maximum likelihood, OFDM with all index modulation, signal detection

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Authors: Adel Gurel, Ozge Ceylin Yildirim

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Nowadays, design and architecture are being affected and underwent change with the rapid advancements in technology, economics, politics, society and culture. Architecture has been transforming with the latest developments after the inclusion of computers into design. Integration of design into the computational environment has revolutionized the architecture and new perspectives in architecture have been gained. The history of architecture shows the various technological developments and changes in which the architecture has transformed with time. Therefore, the analysis of integration between technology and the history of the architectural process makes it possible to build a consensus on the idea of how architecture is to proceed. In this study, each period that occurs with the integration of technology into architecture is addressed within historical process. At the same time, changes in architecture via technology are identified as important milestones and predictions with regards to the future of architecture have been determined. Developments and changes in technology and the use of technology in architecture within years are analyzed in charts and graphs comparatively. The historical process of architecture and its transformation via technology are supported with detailed literature review and they are consolidated with the examination of focal points of 20th-century architecture under the titles; parametric design, genetic architecture, simulation, and biomimicry. It is concluded that with the historical research between past and present; the developments in architecture cannot keep up with the advancements in technology and recent developments in technology overshadow the architecture, even the technology decides the direction of architecture. As a result, a scenario is presented with regards to the reach of technology in the future of architecture and the role of the architect.

Keywords: computer technologies, future architecture, scientific developments, transformation

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Authors: Ana Serafimovic, Karthik Devarajan

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Non-negative matrix factorization approximates a high dimensional non-negative matrix V as the product of two non-negative matrices, W and H, and allows only additive linear combinations of data, enabling it to learn parts with representations in reality. It has been successfully applied in the analysis and interpretation of high dimensional data arising in neuroscience, computational biology, and natural language processing, to name a few. The objective of this paper is to assess a hybrid algorithm for non-negative matrix factorization with multiplicative updates. The method aims to minimize the symmetric version of Kullback-Leibler divergence known as intrinsic information and assumes that the noise is signal-dependent and that it originates from an arbitrary distribution from the exponential family. It is a generalization of currently available algorithms for Gaussian, Poisson, gamma and inverse Gaussian noise. We demonstrate the potential usefulness of the new generalized algorithm by comparing its performance to the baseline methods which also aim to minimize symmetric divergence measures.

Keywords: non-negative matrix factorization, dimension reduction, clustering, intrinsic information, symmetric information divergence, signal-dependent noise, exponential family, generalized Kullback-Leibler divergence, dual divergence

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Authors: E. R. Swart, S. J. Gismondi, N. R. Swart, C. E. Bell

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We present an heuristic algorithm that decides graph non-Hamiltonicity. All graphs are directed, each undirected edge regarded as a pair of counter directed arcs. Each of the n! Hamilton cycles in a complete graph on n+1 vertices is mapped to an n-permutation matrix P where p(u,i)=1 if and only if the ith arc in a cycle enters vertex u, starting and ending at vertex n+1. We first create exclusion set E by noting all arcs (u, v) not in G, sufficient to code precisely all cycles excluded from G i.e. cycles not in G use at least one arc not in G. Members are pairs of components of P, {p(u,i),p(v,i+1)}, i=1, n-1. A doubly stochastic-like relaxed LP formulation of the Hamilton cycle decision problem is constructed. Each {p(u,i),p(v,i+1)} in E is coded as variable q(u,i,v,i+1)=0 i.e. shrinks the feasible region. We then implement the Weak Closure Algorithm (WCA) that tests necessary conditions of a matching, together with Boolean closure to decide 0/1 variable assignments. Each {p(u,i),p(v,j)} not in E is tested for membership in E, and if possible, added to E (q(u,i,v,j)=0) to iteratively maximize |E|. If the WCA constructs E to be maximal, the set of all {p(u,i),p(v,j)}, then G is decided non-Hamiltonian. Only non-Hamiltonian G share this maximal property. Ten non-Hamiltonian graphs (10 through 104 vertices) and 2000 randomized 31 vertex non-Hamiltonian graphs are tested and correctly decided non-Hamiltonian. For Hamiltonian G, the complement of E covers a matching, perhaps useful in searching for cycles. We also present an example where the WCA fails.

Keywords: Hamilton cycle decision problem, computational complexity theory, graph theory, theoretical computer science

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Authors: Arthur D. Wiedemann, Christopher Fuller, Kyle A. Pascioni

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With the introduction of electric motors, small unmanned aerial vehicle designers have to consider trade-offs between acoustic noise and thrust generated. Currently, there are few low-computational tools available for predicting acoustic noise emitted by a propeller into the far-field. Artificial neural networks offer a highly non-linear and adaptive model for predicting isolated and interactive tonal noise. But neural networks require large data sets, exceeding practical considerations in modeling experimental results. A methodology known as physics guided machine learning has been applied in this study to reduce the required data set to train the network. After building and evaluating several neural networks, the best model is investigated to determine how the network successfully predicts the acoustic waveform. Lastly, a post-network transfer function is developed to remove discontinuity from the predicted waveform. Overall, methodologies from physics guided machine learning show a notable improvement in prediction performance, but additional loss functions are necessary for constructing predictive networks on small datasets.

Keywords: aeroacoustics, machine learning, propeller, rotor, neural network, physics guided machine learning

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Authors: Jamshaid Ul Rahman, Faiza Makhdoom, Dianchen Lu

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Activation functions play a decisive role in determining the capacity of Deep Neural Networks (DNNs) as they enable neural networks to capture inherent nonlinearities present in data fed to them. The prior research on activation functions primarily focused on the utility of monotonic or non-oscillatory functions, until Growing Cosine Unit (GCU) broke the taboo for a number of applications. In this paper, a Convolutional Neural Network (CNN) model named as ASU-CNN is proposed which utilizes recently designed activation function ASU across its layers. The effect of this non-monotonic and oscillatory function is inspected through feature map visualizations from different convolutional layers. The optimization of proposed network is offered by Adam with a fine-tuned adjustment of learning rate. The network achieved promising results on both training and testing data for the classification of CIFAR-10. The experimental results affirm the computational feasibility and efficacy of the proposed model for performing tasks related to the field of computer vision.

Keywords: amplifying sine unit, activation function, convolutional neural networks, oscillatory activation, image classification, CIFAR-10

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Authors: Theddeus Tochukwu Akano, Omotayo Abayomi Fakinlede

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Proper understanding of the behavior of compliant mechanisms use by athletes is important in order to avoid catastrophic failure. Such compliant mechanisms like the flex-run require the knowledge of their dynamic response and deformation behavior under quickly varying loads. The modeling of finite deformations of the compliant athletic system is described by Neo-Hookean model under contact-impact conditions. The dynamic impact-contact governing equations for both the target and impactor are derived based on the updated Lagrangian approach. A method where contactor and target are considered as a united body is applied in the formulation of the principle of virtual work for the bodies. In this paper, methods of continuum mechanics and nonlinear finite element method were deployed to develop a model that could capture the behavior of the compliant athletic system under quickly varying loads. A hybrid system of symbolic algebra (AceGEN) and a compiled back end (AceFEM) were employed, leveraging both ease of use and computational efficiency. The simulated results reveal the effect of the various contact-impact conditions on the deformation behavior of the impacting compliant mechanism.

Keywords: eigenvalue problems, finite element method, robin boundary condition, sturm-liouville problem

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Authors: A. Ramalho, L. Romeiro, R. Ventura, A. Suleman

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A real-time path planning framework for Unmanned Air Vehicles, and in particular multi-rotors is proposed. The framework is designed to provide feasible trajectories from the current UAV position to a goal state, taking into account constraints such as obstacle avoidance, problem kinematics, and vehicle limitations such as maximum speed and maximum acceleration. The framework computes feasible paths online, allowing to avoid new, unknown, dynamic obstacles without fully re-computing the trajectory. These features are achieved using an iterative process in which the robot computes and optimizes the trajectory while performing the mission objectives. A first trajectory is computed using a modified Rapidly-Exploring Random Tree (RRT) algorithm, that provides trajectories that respect a maximum curvature constraint. The trajectory optimization is accomplished using the Interior Point Optimizer (IPOPT) as a solver. The framework has proven to be able to compute a trajectory and optimize to a locally optimal with computational efficiency making it feasible for real-time operations.

Keywords: interior point optimization, multi-rotors, online path planning, rapidly exploring random trees, trajectory optimization

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Authors: Aniket Ganvir, Ritarani Sahu, Suchismita Chinara

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The rapid digitization of various aspects of life is leading to the creation of smart IoT ecosystems, where interconnected devices generate significant amounts of valuable data. However, these IoT devices face constraints such as limited computational resources and bandwidth. Cloud computing emerges as a solution by offering ample resources for offloading tasks efficiently despite introducing latency issues, especially for time-sensitive applications like fog computing. Fog computing (FC) addresses latency concerns by bringing computation and storage closer to the network edge, minimizing data travel distance, and enhancing efficiency. Offloading tasks to fog nodes or the cloud can conserve energy and extend IoT device lifespan. The offloading process is intricate, with tasks categorized as full or partial, and its optimization presents an NP-hard problem. Traditional greedy search methods struggle to address the complexity of task offloading efficiently. To overcome this, the efficient crow search algorithm (ECSA) has been proposed as a meta-heuristic optimization algorithm. ECSA aims to effectively optimize computation offloading, providing solutions to this challenging problem.

Keywords: IoT, fog computing, task offloading, efficient crow search algorithm

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Authors: H. Troudi, M. Ghiss, Z. Tourki, M. Ellejmi

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Packed columns of liquefied petroleum gas (LPG) consists of separating the liquid mixture of propane and butane to pure gas components by the distillation phenomenon. The flow of the gas and liquid inside the columns is operated by two ways: The co-current and the counter current operation. Heat, mass and species transfer between phases represent the most important factors that influence the choice between those two operations. In this paper, both processes are discussed using computational CFD simulation through ANSYS-Fluent software. Only 3D half section of the packed column was considered with one packed bed. The packed bed was characterized in our case as a porous media. The simulations were carried out at transient state conditions. A multi-component gas and liquid mixture were used out in the two processes. We utilized the Euler-Lagrange approach in which the gas was treated as a continuum phase and the liquid as a group of dispersed particles. The heat and the mass transfer process was modeled using multi-component droplet evaporation approach. The results show that the counter-current process performs better than the co-current, although such limitations of our approach are noted. This comparison gives accurate results for computations times higher than 2 s, at different gas velocity and at packed bed porosity of 0.9.

Keywords: co-current, counter-current, Euler-Lagrange model, heat transfer, mass transfer

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Authors: Chu Liu

Abstract:

With the development of society and the changes of the times, the requirements for the cultivation of learners are different. In the 21st century, STEM education has become a boom in the development of education in various countries, aiming to improve the comprehensive ability of learners in science, technology, engineering, and mathematics. The rise of robot education provides an effective way for STEM education to cultivate computational thinking ability, interdisciplinary ability, problem-solving ability, and teamwork ability. Although robot education has been developed in China for several years, it still lacks a standard curriculum system. This article uses programming software as a platform, through the research and analysis of 'Basic Education Information Technology Curriculum Standards (2012 Edition)', combines with the actual learning situation of learners, tries to conduct teaching project design research, and aims at providing references for the teaching ideas and method of robot education courses. In contemporary society, technological advances increasingly require creativity. Innovative comprehensive talents urgently need a radical and effective education reform to keep up with social changes. So in this context, robot teaching design can be used for students. The tendency of creativity to influence is worth to be verified.

Keywords: STEM education, robot teaching, primary and secondary school students, tendency of creativity

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Authors: Lamla Thungathaa, Conrad Mahlasea, Lisa Ngcebesha

Abstract:

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

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

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