Search results for: computational genetics

Authors: Chu Liu

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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

Procedia PDF Downloads 118

Authors: Lamla Thungathaa, Conrad Mahlasea, Lisa Ngcebesha

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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

Procedia PDF Downloads 90

Authors: K. Veluraja

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Glycan of glycolipids and glycoproteins is playing a significant role in living systems particularly in molecular recognition processes. Molecular recognition processes are attributed to their occurrence on the surface of the cell, sequential arrangement and type of sugar molecules present in the oligosaccharide structure and glyosidic linkage diversity (glycoinformatics) and conformational diversity (glycoconformatics). Molecular Dynamics Simulation study is a theoretical-cum-computational tool successfully utilized to establish glycoconformatics of glycan. The study on various oligosaccharides of glycan clearly indicates that oligosaccharides do exist in multiple conformational states and these conformational states arise due to the flexibility associated with a glycosidic torsional angle (φ,ψ) . As an example: a single disaccharide structure NeuNacα(2-3) Gal exists in three different conformational states due to the differences in the preferential value of glycosidic torsional angles (φ,ψ). Hence establishing three dimensional structural and conformational models for glycan (cartesian coordinates of every individual atoms of an oligosaccharide structure in a preferred conformation) is quite crucial to understand various molecular recognition processes such as glycan-toxin interaction and glycan-virus interaction. The gycoconformatics models obtained for various glycan through Molecular Dynamics Simulation stored in our 3DSDSCAR (3DSDSCAR.ORG) a public domain database and its utility value in understanding the molecular recognition processes and in drug design venture will be discussed.

Keywords: glycan, glycoconformatics, molecular dynamics simulation, oligosaccharide

Procedia PDF Downloads 136

Authors: Andrew R. Winters, Gregor J. Gassner

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A high-order numerical magentohydrodynamics (MHD) solver built upon a non-linear entropy stable numerical flux function that supports eight traveling wave solutions will be described. The method is designed to treat the divergence-free constraint on the magnetic field in a similar fashion to a hyperbolic divergence cleaning technique. The solver is especially well-suited for flows involving strong discontinuities due to its strong stability without the need to enforce artificial low density or energy limits. Furthermore, a new formulation of the numerical algorithm to guarantee positivity of the pressure during the simulation is described and presented. By construction, the solver conserves mass, momentum, and energy and is entropy stable. High spatial order is obtained through the use of a third order limiting technique. High temporal order is achieved by utilizing the family of strong stability preserving (SSP) Runge-Kutta methods. Main attributes of the solver are presented as well as details on an implementation of the new solver into the multi-physics, multi-scale simulation code FLASH. The accuracy, robustness, and computational efficiency is demonstrated with a variety of numerical tests. Comparisons are also made between the new solver and existing methods already present in FLASH framework.

Keywords: entropy stability, finite volume scheme, magnetohydrodynamics, pressure positivity

Procedia PDF Downloads 341

Authors: Ammara Mehmood, Aneela Zameer, Muhammad Asif Zahoor Raja, Muhammad Faisal Fateh

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In this work, the strength of bio-inspired computational intelligence based technique is exploited for parameter estimation for the periodic signals using Continuous Differential Evolution (CDE) by defining an error function in the mean square sense. Multidimensional and nonlinear nature of the problem emerging in sinusoidal signal models along with noise makes it a challenging optimization task, which is dealt with robustness and effectiveness of CDE to ensure convergence and avoid trapping in local minima. In the proposed scheme of Continuous Differential Evolution based Signal Parameter Estimation (CDESPE), unknown adjustable weights of the signal system identification model are optimized utilizing CDE algorithm. The performance of CDESPE model is validated through statistics based various performance indices on a sufficiently large number of runs in terms of estimation error, mean squared error and Thiel’s inequality coefficient. Efficacy of CDESPE is examined by comparison with the actual parameters of the system, Genetic Algorithm based outcomes and from various deterministic approaches at different signal-to-noise ratio (SNR) levels.

Keywords: parameter estimation, bio-inspired computing, continuous differential evolution (CDE), periodic signals

Procedia PDF Downloads 301

Authors: Hee Soo Kim, Ha Young Kyung

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Happiness and pleasure are a result of dopamine, oxytocin, serotonin, and endorphin levels in the body. In order to increase the four neurochemical levels, it is important to associate daily activities with its corresponding neurochemical releases. This includes setting goals, maintaining social relationships, laughing frequently, and exercising regularly. The likelihood of experiencing happiness increases when all four neurochemicals are released at the optimal level. The achievement of happiness is important because it increases healthiness, productivity, and the ability to overcome adversity. To process emotions, electrical brain waves, brain structure, and neurochemicals must be analyzed. This research uses Chemcraft and Avogadro to determine the theoretical and chemical properties of the four neurochemical molecules. Each neurochemical molecule’s thermodynamic stability is calculated to observe the efficiency of the molecules. The study found that among dopamine, oxytocin, serotonin, alpha-, beta-, and gamma-endorphin, beta-endorphin has the lowest optimized energy of 388.510 kJ/mol. Beta-endorphin, a neurotransmitter involved in mitigating pain and stress, is the most thermodynamically stable and efficient molecule that is involved in the process of happiness. Through examining such properties of happiness neurotransmitters, the science of happiness is better understood.

Keywords: happiness, neurotransmitters, positive psychology, dopamine, oxytocin, serotonin, endorphins

Procedia PDF Downloads 153

Authors: Ali Reza Tahavvor‚ Saeed Hosseini, Behnam Amiri

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Concentric and eccentric annulus is used frequently in technical and industrial applications such as nuclear reactors, thermal storage system and etc. In this paper, computational fluid dynamics (CFD) is used to investigate two dimensional free convection of laminar flow in annulus with isotherm cylinders surface and cooler inner surface. Problem studied in thirty different cases. Due to natural convection continuity and momentum equations are coupled and must be solved simultaneously. Finite volume method is used for solving governing equations. The purpose was to obtain the eccentricity effect on Nusselt number in different Rayleight numbers, so streamlines and temperature fields must be determined. Results shown that the highest Nusselt number values occurs in degree of eccentricity equal to 0.5 upward for inner cylinder and degree of eccentricity equal to 0.3 upward for outer cylinder. Side eccentricity reduces the outer cylinder Nusselt number but increases inner cylinder Nusselt number. The trend in variation of Nusselt number with respect to eccentricity remain similar in different Rayleight numbers. Correlations are included to calculate the Nusselt number of the cylinders.

Keywords: natural convection, concentric, eccentric, Nusselt number, annulus

Procedia PDF Downloads 369

Authors: Raj K. Gupta, X. Gary Tan, Andrzej Przekwas

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Bomb blasts from Improvised Explosive Devices (IEDs) account for vast majority of terrorist attacks worldwide. Injuries caused by IEDs result from a combination of the primary blast wave, penetrating fragments, and human body accelerations and impacts. This paper presents a multiscale computational model of coupled blast physics, whole human body biodynamics and injury biomechanics of sensitive organs. The disparity of the involved space- and time-scales is used to conduct sequential modeling of an IED explosion event, CFD simulation of blast loads on the human body and FEM modeling of body biodynamics and injury biomechanics. The paper presents simulation results for blast-induced brain injury coupling macro-scale brain biomechanics and micro-scale response of sensitive neuro-axonal structures. Validation results on animal models and physical surrogates are discussed. Results of our model can be used to 'replicate' filed blast loadings in laboratory controlled experiments using animal models and in vitro neuro-cultures.

Keywords: blast waves, improvised explosive devices, injury biomechanics, mathematical models, traumatic brain injury

Procedia PDF Downloads 247

Authors: Bâlc Denisa-Maria

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This paper aims to present some ways of preserving a language heritage in the global era. Teaching a second language to foreign students does not imply only teaching the grammar and the vocabulary in order to reach the 4 skills, but it means constant work on developing strategies to make the students aware of the heritage that the language they learn has. Teachers and professors need to be aware of the fact that language is in constant change, they need to adjust their techniques to the digital era, but they also have to be aware of the changes, the good and the bad parts of globalizations. How is it possible to preserve the patrimony of a certain language in a globalized era? What transformations does a language face in time? What does it mean to preserve the heritage of a language through L2 teaching? What makes a language special? What impact does it have on the foreign students? How can we, as teachers, preserve the heritage of our language? Would it be everything about books, films, music, cultural events or what else? How is it possible to include digital programs in your teaching and preserving the patrimony of a language at the same time? How does computational linguistics help us in teaching a certain language? All these questions will be tackled during the essay, with special accent on the definition of a language heritage, the new perspectives for teachers/ professors, everything in a multimodal and complex way of presenting the context. The objectives of this research are: - to present some ways of preserving the heritage of a certain language against globalization - to illustrate what preservation means for L2 teaching - to encourage teachers to be aware of their language patrimony The main contributions of my research are on moving the discussion of preserving a certain language patrimony in the context of L2 teaching.

Keywords: preservation, globalization, language heritage, L2 teaching

Procedia PDF Downloads 59

Authors: Jae-Young Lee, Woo-Young Jung, Myeong-Jun Nam

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Water hammer is a hydraulic transient problem which is commonly encountered in the penstocks of hydropower plants. The numerical model was developed to estimate the transient behavior of pressure waves in pipe systems. The computational algorithm was proposed to model the water hammer phenomenon in a pipe system with pump shutdown at midstream and sudden valve closure at downstream. To predict the pressure head and flow velocity as a function of time as a result of rapidly closing a valve and pump shutdown, two boundary conditions at the ends considering pump operation and valve control can be implemented as specified equations of the pressure head and flow velocity based on the characteristics method. It was shown that the effects of transient flow make it determine the needs for protection devices, such as surge tanks, surge relief valves, or air valves, at various points in the system against overpressure and low pressure. It produced reasonably good performance with the results of the proposed transient model for pipeline systems. The proposed numerical model can be used as an efficient tool for the safety assessment of hydropower plants due to water hammer.

Keywords: water hammer, hydraulic transient, pipe systems, characteristics method

Procedia PDF Downloads 134

Authors: Burak Bal

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Mechanical characterization tests might come with a remarkable cost of time and money for both companies and academics. The inquiry to transform laboratory experiments to the computational media is getting a trend; accordingly, the literature supplies many analytical ways to explain the mechanics of deformation. In our work, we focused on the crystal plasticity finite element modeling (CPFEM) analysis on various materials in various crystal structures to predict the stress-strain curve without tensile tests. For FEM analysis, which we used in this study was ABAQUS, a standard user-defined material subroutine (UMAT) was prepared. The geometry of a specimen was created via DREAM 3D software with the inputs of Euler angles taken by Electron Back-Scattered Diffraction (EBSD) technique as orientation, or misorientation angles. The synthetic crystal created with DREAM 3D is also meshed in a way the grains inside the crystal meshed separately, and the computer can realize interaction of inter, and intra grain structures. The mechanical deformation parameters obtained from the literature put into the Fortran based UMAT code to describe how material will response to the load applied from specific direction. The mechanical response of a synthetic crystal created with DREAM 3D agrees well with the material response in the literature.

Keywords: crystal plasticity finite element modeling, ABAQUS, Dream.3D, microstructure

Procedia PDF Downloads 152

Authors: Sara Moridpour

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To meet emerging industry needs, engineering students must learn different software packages and enhance their computational skills. Traditionally, face-to-face is selected as the preferred approach to teaching software packages. Face-to-face tutorials and workshops provide an interactive environment for learning software packages where the students can communicate with the teacher and interact with other students, evaluate their skills, and receive feedback. However, COVID-19 significantly limited face-to-face learning and teaching activities at universities. Worldwide lockdowns and the shift to online and remote learning and teaching provided the opportunity to introduce different strategies to enhance the interaction among students and teachers in online and virtual environments and improve the learning and teaching of software packages in online and blended teaching methods. This paper introduces a blended strategy to teach engineering software packages to undergraduate students. This article evaluates the effectiveness of the proposed blended learning and teaching strategy in students’ learning by comparing the impact of face-to-face, online and the proposed blended environments on students’ software skills. The paper evaluates the students’ software skills and their software learning through an authentic assignment. According to the results, the proposed blended teaching strategy successfully improves the software learning experience among undergraduate engineering students.

Keywords: teaching software packages, undergraduate students, blended learning and teaching, authentic assessment

Procedia PDF Downloads 115

Authors: Jay N. Vyas, Sachin Daxini

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Numerical simulation techniques are widely used now in product development and testing instead of expensive, time-consuming and sometimes dangerous laboratory experiments. Numerous numerical methods are available for performing simulation of physical problems of different engineering fields. Grid based methods, like Finite Element Method, are extensively used in performing various kinds of static, dynamic, structural and non-structural analysis during product development phase. Drawbacks of grid based methods in terms of discontinuous secondary field variable, dealing fracture mechanics and large deformation problems led to development of a relatively a new class of numerical simulation techniques in last few years, which are popular as Meshless methods or Meshfree Methods. Meshless Methods are expected to be more adaptive and flexible than Finite Element Method because domain descretization in Meshless Method requires only nodes. Present paper introduces Meshless Methods and differentiates it with Finite Element Method in terms of following aspects: Shape functions used, role of weight function, techniques to impose essential boundary conditions, integration techniques for discrete system equations, convergence rate, accuracy of solution and computational effort. Capabilities, benefits and limitations of Meshless Methods are discussed and concluded at the end of paper.

Keywords: numerical simulation, Grid-based methods, Finite Element Method, Meshless Methods

Procedia PDF Downloads 386

Authors: Prashansa Singh, Manjot Kaur, Rohit Bajaj

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The proliferation of wireless sensor networks and Internet of Things (IoT) devices in the quickly changing digital landscape has highlighted the urgent need for strong security solutions that can handle these systems’ limited resources. A key solution to this problem is the emergence of ultralightweight security protocols, which provide strong security features while respecting the strict computational, energy, and memory constraints imposed on these kinds of devices. This in-depth analysis explores the field of ultralightweight security protocols, offering a thorough examination of their evolution, salient features, and the particular security issues they resolve. We carefully examine and contrast different protocols, pointing out their advantages and disadvantages as well as the compromises between resource limitations and security resilience. We also study these protocols’ application domains, including the Internet of Things, RFID systems, and wireless sensor networks, to name a few. In addition, the review highlights recent developments and advancements in the field, pointing out new trends and possible avenues for future research. This paper aims to be a useful resource for researchers, practitioners, and developers, guiding the design and implementation of safe, effective, and scalable systems in the Internet of Things era by providing a comprehensive overview of ultralightweight security protocols.

Keywords: wireless sensor network, machine-to-machine, MQTT broker, server, ultralightweight, TCP/IP

Procedia PDF Downloads 78

Authors: Tang Wei, Yang Xiaofeng, Gui Yewei, Du Yanxia

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Complex lifting entry was selected for precise landing performance during the Mars Science Laboratory entry. This study aims to develop the three-dimensional numerical method for precise computation and the surface panel method for rapid engineering prediction. Detailed flow field analysis for Mars exploration mission was performed by carrying on a series of fully three-dimensional Navier-Stokes computations. The static aerodynamic performance was then discussed, including the surface pressure, lift and drag coefficient, lift-to-drag ratio with the numerical and engineering method. Computation results shown that the shock layer is thin because of lower effective specific heat ratio, and that calculated results from both methods agree well with each other, and is consistent with the reference data. Aerodynamic performance analysis shows that CG location determines trim characteristics and pitch stability, and certain radially and axially shift of the CG location can alter the capsule lifting entry performance, which is of vital significance for the aerodynamic configuration des0ign and inner instrument layout of the Mars entry capsule.

Keywords: Mars entry capsule, static aerodynamics, computational fluid dynamics, hypersonic

Procedia PDF Downloads 297

Authors: Hao Yuan, Yongjian Shen, Xiangjun He, Yuheng Li, Zhouzhou Zhang, Pengyu Zhang, Minkang Cai

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Remote sensing data can provide support for decision-making in disaster assessment or disaster relief. The traditional processing methods of sensitive targets in remote sensing mapping are mainly based on manual retrieval and image editing tools, which are inefficient. Methods based on deep learning for sensitive target hiding are faster and more flexible. But these methods have disadvantages in training time and cost of calculation. This paper proposed a target hiding model Self Attention (SA) Deepfill, which used self-attention modules to replace part of gated convolution layers in image inpainting. By this operation, the calculation amount of the model becomes smaller, and the performance is improved. And this paper adds free-form masks to the model’s training to enhance the model’s universal. The experiment on an open remote sensing dataset proved the efficiency of our method. Moreover, through experimental comparison, the proposed method can train for a longer time without over-fitting. Finally, compared with the existing methods, the proposed model has lower computational weight and better performance.

Keywords: remote sensing mapping, image inpainting, self-attention mechanism, target hiding

Procedia PDF Downloads 133

Authors: Makito Sakai, Takahiro Kiwata, Takumi Awa, Hiroshi Teramoto, Takaaki Kono, Kuniaki Toyoda

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Using experimental and numerical results, this paper describes the effects of tabs on the flow characteristics of a plane jet at comparatively low Reynolds numbers while focusing on the velocity field and the vortical structure. The flow visualization and velocity measurements were respectively carried out using laser Doppler velocimetry (LDV) and particle image velocimetry (PIV). In addition, three-dimensional (3D) plane jet numerical simulations were performed using ANSYS Fluent, a commercially available computational fluid dynamics (CFD) software application. We found that the spreads of jets perturbed by large delta tabs and round tabs were larger than those produced by the other tabs tested. Additionally, it was determined that a plane jet with square tabs had the smallest jet spread downstream, and the jet’s centerline velocity was larger than those of jets perturbed by the other tabs tested. It was also observed that the spanwise vortical structure of a plane jet with tabs disappeared completely. Good agreement was found between the experimental and numerical simulation velocity profiles in the area near the nozzle exit when the laminar flow model was used. However, we also found that large eddy simulation (LES) is better at predicting the developing flow field of a plane jet than the laminar and the standard k-ε turbulent models.

Keywords: plane jet, flow control, tab, flow measurement, numerical simulation

Procedia PDF Downloads 332

Authors: Giselle Maggie Fer Castañeda, Diego Iván González

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The objective of this work was to study the autoshaped choice behavior in the Donahoe, Burgos and Palmer (DBP) neural network model and analyze it under the matching law. Autoshaped choice can be viewed as a form of economic behavior defined as the preference between alternatives according to their relative outcomes. The Donahoe, Burgos and Palmer (DBP) model is a connectionist proposal that unifies operant and Pavlovian conditioning. This model has been used for more than three decades as a neurobehavioral explanation of conditioning phenomena, as well as a generator of predictions suitable for experimental testing with non-human animals and humans. The study consisted of different simulations in which, in each one, a ratio of reinforcement was established for two alternatives, and the responses (i.e., activations) in each of them were measured. Choice studies with animals have demonstrated that the data generally conform closely to the generalized matching law equation, which states that the response ratio equals proportionally to the reinforcement ratio; therefore, it was expected to find similar results with the neural networks of the Donahoe, Burgos and Palmer (DBP) model since these networks have simulated and predicted various conditioning phenomena. The results were analyzed by the generalized matching law equation, and it was observed that under some contingencies, the data from the networks adjusted approximately to what was established by the equation. Implications and limitations are discussed.

Keywords: matching law, neural networks, computational models, behavioral sciences

Procedia PDF Downloads 73

Authors: Dhawal Ladani

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Shell and tube type heat exchangers are predominantly used in heat exchange between two fluids and other applications. This paper projects the optimal design of the pipe used in the heat exchanger in such a way to minimize the vibration occurring in the pipe. Paper also consists of the comparison of the different design of the pipe to get the maximize the heat transfer rate by converting laminar flow into the turbulent flow. By the updated design the vibration in the pipe due to the flow is also decreased. Computational Fluid Dynamics and Thermal Heat Transfer analysis are done to justifying the result. Currently, the straight pipe is used in the shell and tube type of heat exchanger where as per the paper the pipe consists of the curvature along with the pipe. Hence, the heat transfer area is also increased and result in the increasing in heat transfer rate. Curvature type design is useful to create turbulence and minimizing the vibration, also. The result will give the output comparison of the effect of laminar flow and the turbulent flow in the heat exchange mechanism, as well as, inverse effect of the boundary layer in heat exchanger is also justified.

Keywords: heat exchanger, heat transfer rate, laminar and turbulent effect, shell and tube

Procedia PDF Downloads 305

Authors: Feby Zaki Raouf Fawzy

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Nowadays, design and architecture are being affected and undergoing 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 in design. Integration of design into the computational environment has revolutionized architecture and unique perspectives in architecture have been gained. The history of architecture shows the various technological developments and changes in which 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 the 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 is supported by a 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 architecture; even technology decides the direction of architecture. As a result, a scenario is presented with regard to the reach of technology in the future of architecture and the role of the architect.

Keywords: design and development the information technology architecture, enterprise architecture, enterprise architecture design result, TOGAF architecture development method (ADM)

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Authors: Jia-Ming Kok, Javaan Chahl

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An optimisation method using both global and local optimisation is implemented to determine the flapping profile which will produce the most lift for an experimental wing-actuation system. The optimisation method is tested using a numerical quasi-steady analysis. Results of an optimised flapping profile show a 20% increase in lift generated as compared to flapping profiles obtained by high speed cinematography of a Sympetrum frequens dragonfly. Initial optimisation procedures showed 3166 objective function evaluations. The global optimisation parameters - initial sample size and stage one sample size, were altered to reduce the number of function evaluations. Altering the stage one sample size had no significant effect. It was found that reducing the initial sample size to 400 would allow a reduction in computational effort to approximately 1500 function evaluations without compromising the global solvers ability to locate potential minima. To further reduce the optimisation effort required, we increase the local solver’s convergence tolerance criterion. An increase in the tolerance from 0.02N to 0.05N decreased the number of function evaluations by another 20%. However, this potentially reduces the maximum obtainable lift by up to 0.025N.

Keywords: flapping wing, optimisation, quasi-steady model, dragonfly

Procedia PDF Downloads 356

Authors: Noureddine Benharkat, Abdelkader Chouaih, Nourdine Boukabcha

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A thiourea derivative compound was synthesized and subjected to structural analysis using single-crystal X-ray diffraction (XRD). The crystallographic data unveiled its crystallization in the P21/c space group within the monoclinic system. Examination of the dihedral angles indicated a notable non-planar structure. To support and interpret these resulats, density functional theory (DFT) calculations were conducted utilizing the B3LYP functional along with a 6–311 G (d, p) basis set. Additionally, to assess the contribution of intermolecular interactions, Hirshfeld surface analysis and 2D fingerprint plots were employed. Various types of interactions, whether weak intramolecular or intermolecular, within a molecule can significantly impact its stability. The distinctive signature of non-covalent interactions can be detected solely through electron density analysis. The NCI-RDG analysis was employed to investigate both repulsive and attractive van der Waals interactions while also calculating the energies associated with intermolecular interactions and their characteristics. Additionally, a molecular docking study was studied to explain the structure-activity relationship, revealing that the title compound exhibited an affinity energy of -6.8 kcal/mol when docked with B-DNA (1BNA).

Keywords: computational chemistry, density functional theory, crystallography, molecular docking, molecular structure, powder x-ray diffraction, single crystal x-ray diffraction

Procedia PDF Downloads 58

Authors: Muhammad Abdullah, Asma Rashid Butt, Nauman Raza

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Biomagnetic fluids like blood play key role in different applications of medical science and bioengineering. In this paper, the magnetohydrodynamic flow of a viscous fluid with magnetic particles through a cylindrical tube is investigated. The fluid is electrically charged in the presence of a uniform external magnetic field. The movement in the fluid is produced due to the cylindrical tube. Initially, the fluid and tube are at rest and at time t=0⁺, the tube starts to move along its axis. To obtain the mathematical model of flow with fractional derivatives fractional calculus approach is used. The solution of the flow model is obtained by using Laplace transformation. The Simon's numerical algorithm is employed to obtain inverse Laplace transform. The hybrid technique, we are employing has less computational effort as compared to other methods. The numerical calculations have been performed with Mathcad software. As the special cases of our problem, the solution of flow model with ordinary derivatives and flow without magnetic particles has been procured. Finally, the impact of non-integer fractional parameter alpha, Hartmann number Ha, and Reynolds number Re on flow and magnetic particles velocity is analyzed and depicted by graphs.

Keywords: viscous fluid, magnetic particles, fractional calculus, laplace transformation

Procedia PDF Downloads 204

Authors: Paulo H. R. G. Reis, Joana P. Maia, Davi Neiva Alves, Mariana R. C. Aquino, Igor B. Guimaraes, Anderson Horta, Thiago Santiago, Mariana Volpini

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Additive manufacturing is a manufacturing technique used in many fields as a tool for the production of complex parts accurately. This technique has a wide possibility of applications in bioengineering, mainly in the manufacture of orthopedic devices, thanks to the versatility of shapes and surface details. The present article aims to evaluate the mechanical viability of a wrist-hand orthosis made using additive manufacturing techniques with Nylon 12 polyamide and compare this device with the wrist-hand orthosis manufactured by the traditional process with thermoplastic Ezeform. The methodology used is based on the application of computational simulations of voltage and temperature, from finite element analysis, in order to evaluate the properties of displacement, mechanical stresses and thermal comfort in the two devices. The execution of this work was carried out through a case study with a 29-year-old male patient. The modeling software involved was Meshmixer from US manufacturer Autodesk and Fusion 360 from the same manufacturer. The results demonstrated that the orthosis developed by 3D printing, from Nylon 12, presents better thermal comfort and response to the mechanical stresses exerted on the orthosis.

Keywords: additive manufacturing, finite elements, hand orthosis, thermal comfort, neurorehabilitation

Procedia PDF Downloads 189

Authors: Vivek Verma, Sanjeev Kumar

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This study presents a novel quantum image encryption algorithm, using a 3D chaotic map and controlled qubit-level scrambling operations. The newly proposed 3D-BNM chaotic map effectively reduces the degradation of chaotic dynamics resulting from the finite word length effect. It facilitates the generation of highly unpredictable random sequences and enhances chaotic performance. The system’s efficacy is additionally enhanced by the inclusion of a SHA-256 hash function. Initially, classical plain images are converted into their quantum equivalents using the Novel Enhanced Quantum Representation (NEQR) model. The Generalized Quantum Arnold Transformation (GQAT) is then applied to disrupt the coordinate information of the quantum image. Subsequently, to diffuse the pixel values of the scrambled image, XOR operations are performed using pseudorandom sequences generated by the 3D-BNM chaotic map. Furthermore, to enhance the randomness and reduce the correlation among the pixels in the resulting cipher image, a controlled qubit-level scrambling operation is employed. The encryption process utilizes fundamental quantum gates such as C-NOT and CCNOT. Both theoretical and numerical simulations validate the effectiveness of the proposed algorithm against various statistical and differential attacks. Moreover, the proposed encryption algorithm operates with low computational complexity.

Keywords: 3D Chaotic map, SHA-256, quantum image encryption, Qubit level scrambling, NEQR

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Authors: S. A. Tabatabaei, S. Aarabi

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Predicting the hot mix asphalt (HMA) response and performance is a challenging task because of the subjectivity of HMA under the complex loading and environmental condition. The behavior of HMA is a function of temperature of loading and also shows the time and rate-dependent behavior directly affecting design criteria of mixture. Velocity of load passing make the time and rate. The viscoelasticity illustrates the reaction of HMA under loading and environmental conditions such as temperature and moisture effect. The behavior has direct effect on design criteria such as tensional strain and vertical deflection. In this paper, the computational framework for viscoelasticity and implementation in 3D dimensional HMA model is introduced to use in finite element method. The model was lied under various repeated loading conditions at constant temperature. The response of HMA viscoelastic behavior is investigated in loading condition under speed vehicle and sensitivity of behavior to the range of speed and compared to HMA which is supposed to have elastic behavior as in conventional design methods. The results show the importance of loading time pulse, unloading time and various speeds on design criteria. Also the importance of memory fading of material to storing the strain and stress due to repeated loading was shown. The model was simulated by ABAQUS finite element package

Keywords: viscoelasticity, finite element method, repeated loading, HMA

Procedia PDF Downloads 396

Authors: Tydra Preyear, Victor Clincy

Abstract:

Quantum computing presents many computational advantages over classical computing methods due to the utilization of quantum mechanics. The capability of this computing infrastructure poses threats to standard cryptographic systems such as RSA and AES, which are designed for classical computing environments. This paper discusses the impact that quantum computing has on cryptography, while focusing on the evolution from classical cryptographic concepts to quantum and post-quantum cryptographic concepts. Standard Cryptography is essential for securing data by utilizing encryption and decryption methods, and these methods face vulnerability problems due to the advancement of quantum computing. In order to counter these vulnerabilities, the methods that are proposed are quantum cryptography and post-quantum cryptography. Quantum cryptography uses principles such as the uncertainty principle and photon polarization in order to provide secure data transmission. In addition, the concept of Quantum key distribution is introduced to ensure more secure communication channels by distributing cryptographic keys. There is the emergence of post-quantum cryptography which is used for improving cryptographic algorithms in order to be more secure from attacks by classical and quantum computers. Throughout this exploration, the paper mentions the critical role of the advancement of cryptographic methods to keep data integrity and privacy safe from quantum computing concepts. Future research directions that would be discussed would be more effective cryptographic methods through the advancement of technology.

Keywords: quantum computing, quantum cryptography, cryptography, data integrity and privacy

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Authors: Vishal Kumar Singh

Abstract:

Bioprocess development is a time-constrained activity aimed at harnessing the full potential of culture performance in an ambience that is not natural to cells. Even with the use of chemically defined media and feeds, a significant amount of time is devoted in identifying the apt operating parameters. In addition, the scale-up of these processes is often accompanied by loss of antibody titer and product quality, which further delays the commercialization of the drug product. In such a scenario, the investigation of this disparity of culture performance is done by further experimentation at a smaller scale that is representative of at-scale production bioreactors. These scale-down model developments are also time-intensive. In this study, a computation fluid dynamics-based multi-objective scaling approach has been illustrated to speed up the process transfer. For the implementation of this approach, a transient multiphase water-air system has been studied in Ansys CFX to visualize the air bubble distribution and volumetric mass transfer coefficient (kLa) profiles, followed by the design of experiment based parametric optimization approach to define the operational space. The proposed approach is completely in silico and requires minimum experimentation, thereby rendering a high throughput to the overall process development.

Keywords: bioprocess development, scale up, scale down, computation fluid dynamics, multi-objective, Ansys CFX, design of experiment

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Authors: Tengfei He, Mengjie Zhang, Baosheng Jin

Abstract:

In this study, the low-cost halloysite (Hal) was utilized for the first time to enhance the solid-phase enrichment and stability of heavy metals (HMs) during solid waste pyrolysis through experimental and theoretical methods, and compared with kaolinite (Kao). Experimental results demonstrated that Hal was superior to Kao in improving the solid-phase enrichment of HMs. Adding Hal reduced the proportion of HMs in the unstable fraction (F1+F2), consequently lowering the environmental risk of biochar and the extractable state of HMs. Through Grand canonical Monte Carlo and Density Functional Theory (DFT) simulations, the adsorption amounts and adsorption mechanisms of Cd/Pb compound on Hal/Kao surfaces were analyzed. The adsorption amounts of HMs by Hal were significantly higher than Kao and decreased with increasing temperature, and the difference in adsorption performance caused by structural bending was negligible. The DFT results indicated that Cd/Pb monomers were stabilized by establishing covalent bonds with OH or reactive O atoms on the Al-(0 0 1) surface, whereas the covalent bonds with ionic bonding properties formed between Cl atoms and unsaturated Al atoms played a crucial role in stabilizing HM chlorides. This study highlights the potential of Hal in stabilizing HMs during pyrolysis without requiring any modifications.

Keywords: heavy metals, halloysite, density functional theory, grand canonical Monte Carlo

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Authors: Karthik Mittal

Abstract:

This study performs an unsupervised machine learning analysis to find clusters of related SNPs which highlight biological pathways that are important for the biological mechanisms of breast cancer. Studying genetic variations in isolation is illogical because these genetic variations are known to modulate protein production and function; the downstream effects of these modifications on biological outcomes are highly interconnected. After extracting the SNPs and their effect on different types of breast cancer using the MRBase library, two unsupervised machine learning clustering algorithms were implemented on the genetic variants: a k-means clustering algorithm and a hierarchical clustering algorithm; furthermore, principal component analysis was executed to visually represent the data. These algorithms specifically used the SNP’s beta value on the three different types of breast cancer tested in this project (estrogen-receptor positive breast cancer, estrogen-receptor negative breast cancer, and breast cancer in general) to perform this clustering. Two significant genetic pathways validated the clustering produced by this project: the MAPK signaling pathway and the connection between the BRCA2 gene and the ESR1 gene. This study provides the first proof of concept showing the importance of unsupervised machine learning in interpreting GWAS summary statistics.

Keywords: breast cancer, computational biology, unsupervised machine learning, k-means, PCA

Procedia PDF Downloads 145