Search results for: GENERIC formalism

Authors: Christopher Deekia Nwimae, Nigel Simms, Liyun Lao

Abstract:

Erosion in pipe bends caused by particles is a major obstacle in the oil and gas fields and might cause the breakdown of production equipment. This work studied the effects imposed by flow velocity and impact of solid particles diameter in an elbow; erosion rate was verified with experimental data using the computational fluid dynamics (CFD) approach. Two-way coupled Euler-Lagrange and discrete phase model was employed to calculate the air/solid particle flow in an elbow. One erosion model and three-particle rebound models were used to predict the erosion rate on the 90° elbows. The generic erosion model was used in the CFD-based erosion model, and after comparing it with experimental data, results showed agreement with the CFD-based predictions as observed.

Keywords: erosion, prediction, elbow, computational fluid dynamics

Procedia PDF Downloads 134

Authors: Calvin Rong, Regina Agassian, Joel Hernandez, Mindy Engle-Friedman

Abstract:

This study assessed strategies to stimulate engagement with future environmental needs. 32 participants were randomly assigned to one of three conditions which involved imagining and drawing: 1) a generic person in current life, 2) one’s self in current life or 3) one’s self in the future. Participants before and after the intervention indicated connectedness to their selves 50 years in the future on an adapted Future Self-Continuity Scale. A significant interaction (p = .03) showed no difference in connectedness into one’s future self in the control group, a decrease in connectedness in those who imagined themselves in the present and an increase in connectedness in those who imagined themselves in the future. Results suggest attention to one’s present life circumstances may interfere with one’s connection with future environmental issues but imagining one’s future life may stimulate actions that result in future environmental protection.

Keywords: environmental psychology, future priming, climate change, global warming

Procedia PDF Downloads 186

Authors: Pavlo Selyshchev

Abstract:

A theoretical approach to describe kinetic of heat transfer between an irradiated sample and environment is developed via formalism of the Complex systems and kinetic equations. The irradiated material is a metastable system with non-linear feedbacks, which can give rise to different regimes of buildup and annealing of radiation-induced defects, heating and heat transfer with environment. Irradiation with energetic particles heats the sample and produces defects of the crystal lattice of the sample. The crystal with defects accumulates extra (non-thermal) energy, which is transformed into heat during the defect annealing. Any increase of temperature leads to acceleration of defect annealing, to additional transformation of non-thermal energy into heat and to further growth of the temperature. Thus a non-linear feedback is formed. It is shown that at certain conditions of irradiation this non-linear feedback leads to self-oscillations of the defect density, the temperature of the irradiated sample and the heat transfer between the sample and environment. Simulation and analysis of these phenomena is performed. The frequency of the self-oscillations is obtained. It is determined that the period of the self-oscillations is varied from minutes to several hours depending on conditions of irradiation and properties of the sample. Obtaining results are compared with experimental ones.

Keywords: irradiation, heat transfer, non-linear feed-back, self-oscillations

Procedia PDF Downloads 212

Authors: Anandkumar Rshindhe

Abstract:

Patents are considered as good monopoly in India. It is a mechanism by which the inventor is encouraged to do invention and also to make available to the society at large with a new useful technology. Patent system does not provide any protection to the invention itself but to the claims (rights) which the patentee has identified in relation to his invention. Thus the patentee is granted monopoly to the extent of his recognition of his own rights in the form of utilities and all other utilities of invention are for the public. Thus we find both benefit to the inventor and the public at large that is the ultimate consumer. But developing any such technology is not free of cost. Inventors do a lot of investment in the coming out with a new technologies. One such example if of Pharmaceutical industries. These pharmaceutical Industries do lot of research and invest lot of money, time and labour in coming out with these invention. Once invention is done or process identified, in order to protect it, inventors approach Patent system to protect their rights in the form of claim over invention. The patent system takes its own time in giving recognition to the invention as patent. Even after the grant of patent the pharmaceutical companies need to comply with many other legal formalities to launch it as a drug (medicine) in market. Thus major portion in patent term is unproductive to patentee and whatever limited period the patentee gets would be not sufficient to recover the cost involved in invention and as a result price of patented product is raised very much, just to recover the cost of invent. This is ultimately a burden on consumer who is paying more only because the legislature has failed to provide for the delay and loss caused to patentee. This problem can be effectively remedied if Patent Term extension is done. Due to patent term extension, the inventor gets some more time in recovering the cost of invention. Thus the end product is much more cheaper compared to non patent term extension.The basic question here arises is that when the patent period granted to a patentee is only 20 years and out of which a major portion is spent in complying with necessary legal formalities before making the medicine available in market, does the company with the limited period of monopoly recover its investment made for doing research. Further the Indian patent Act has certain provisions making it mandatory on the part of patentee to make its patented invention at reasonable affordable price in India. In the light of above questions whether extending the term of patent would be a proper solution and a necessary requirement to protect the interest of patentee as well as the ultimate consumer. The basic objective of this paper would be to check the implications of Extending the Patent term on Indian Consumers. Whether it provides the benefits to the patentee, consumer or a hardship to the Generic industry and consumer.

Keywords: patent term extention, consumer interest, generic drug industry, pharmaceutical industries

Procedia PDF Downloads 434

Authors: Mark Lindquist

Abstract:

This paper presents preliminary results of exploratory empirical research investigating the effect of viewing 3D landscape visualizations in virtual reality compared to a computer monitor, and how sound impacts perception. Five landscape types were paired with three sound conditions (no sound, generic sound, realistic sound). Perceived realism, preference, recreational value, and biodiversity were evaluated in a controlled laboratory environment. Results indicate that sound has a larger perceptual impact than display mode regardless of sound source across all perceptual measures. The results are considered to assess how sound can impact landscape preference and spatiotemporal understanding. The paper concludes with a discussion of the impact on designers, planners, and the public and targets future research endeavors in this area.

Keywords: landscape experience, perception, soundscape, virtual reality

Procedia PDF Downloads 147

Authors: Arnab Mondal, Sanjeev Kumar Sharma, Ranjit Kumar Upadhyay

Abstract:

We study the spatiotemporal dynamics of a neuronal cable. The processes of one- dimensional (1D) and 2D diffusion are considered for a single variable, which is the membrane voltage, i.e., membrane voltage diffusively interacts for spatiotemporal pattern formalism. The recovery and other variables interact through the membrane voltage. A 3D Leech-Heart (LH) model is introduced to investigate the nonlinear responses of an excitable neuronal cable. The deterministic LH model shows different types of firing properties. We explore the parameter space of the uncoupled LH model and based on the bifurcation diagram, considering v_k2_ashift as a bifurcation parameter, we analyze the 1D diffusion dynamics in three regimes: bursting, regular spiking, and a quiescent state. Depending on parameters, it is shown that the diffusive system may generate regular and irregular bursting or spiking behavior. Further, it is explored a 2D diffusion acting on the membrane voltage, where different types of patterns can be observed. The results show that the LH neurons with different firing characteristics depending on the control parameters participate in a collective behavior of an information processing system that depends on the overall network.

Keywords: bifurcation, pattern formation, spatio-temporal dynamics, stability analysis

Procedia PDF Downloads 197

Authors: Nicodemus M. J. Mbwambo, Yu-Shan Sun, Murali Sitaraman, Joan Krone

Abstract:

This paper presents a generic data abstraction that captures a navigable tree position. The mathematical modeling of the abstraction encapsulates the current tree position, which can be used to navigate and modify the tree. The encapsulation of the tree position in the data abstraction specification avoids the use of explicit references and aliasing, thereby simplifying verification of (imperative) client code that uses the data abstraction. To ease the tasks of such specification and verification, a general tree theory, rich with mathematical notations and results, has been developed. The paper contains an example to illustrate automated verification ramifications. With sufficient tree theory development, automated proving seems plausible even in the absence of a special-purpose tree solver.

Keywords: automation, data abstraction, maps, specification, tree, verification

Procedia PDF Downloads 144

Authors: Yasuhiro Sato, Kodai Noma, Kenta Sawada, Kazumasa Adachi, Yoshinori Matsuura, Saori Iwanaga

Abstract:

RFID system is used to identify objects such as passenger identification in public transportation, instead of linear or 2-dimensional barcodes. Key advantages of RFID system are to identify objects without physical contact, and to write arbitrary information into RFID tag. These advantages may help to improve maritime safety and efficiency of activity on the sea. However, utilization of RFID system for maritime scenes has not been considered. In this paper, we evaluate the availability of a generic RFID system operating on the sea. We measure RSSI between RFID tag floating on the sea and RFID antenna, and check whether a RFID reader can access a tag or not, while the distance between a floating buoy and the ship, and the angle are changed. Finally, we discuss the feasibility and the applicability of RFID system on the sea through the results of our preliminary experiment.

Keywords: RFID, experimental evaluation, RSSI, maritime use

Procedia PDF Downloads 559

Authors: E. Esra Kasapbaşı, Büşra Yıldırım

Abstract:

Weak oxidizing radicals, such as alkyl peroxyl derivatives, react with carotenoids through hydrogen atom transfer to form neutral carotenoid radicals. Using the DFT method, it has been observed that s-cis-β-carotene is more stable than all-transforms. In the context of this study, an attempt is made to explain the reaction mechanism of the isomers of β-carotene, which exhibits antioxidant properties, with n-pentyl peroxide, one of the alkyl peroxyl molecules, using the Density Functional Theory (DFT) method. The cis and transforms of β-carotene are used in the study to determine which form is more reactive. For this purpose, Natural Bond Orbital (NBO) charges of all optimized structures are calculated, and electron transfer is determined by examining electron transitions between Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO). Additionally, the radical character and reaction mechanism of β-carotene in a radical environment are attempted to be explained based on the calculations. The theoretical inclination of whether β-carotene in cis or transforms is more active in reaction is also discussed. All these calculations are performed in the gas phase using the Integral Equation Formalism Polarizable Continuum Model IEFPCM method with dichloromethane as the solvent.

Keywords: β-carotene, n-pentyl peroxyl radical, DFT, TD-DFT

Procedia PDF Downloads 53

Authors: Winfred Okoe Addy, Jean Jacques Dominique Beraud

Abstract:

Access control systems (ACs) are some of the most important components in safety areas. Inaccuracies of regulatory frameworks make personal policies and remedies more appropriate than standard models or protocols. This problem is exacerbated by the increasing complexity of software, such as integrated Big Data (BD) software for controlling large volumes of encrypted data and resources embedded in a dedicated BD production system. This paper proposes a general access control strategy system for the diffusion of Big Data domains since it is crucial to secure the data provided to data consumers (DC). We presented a general access control circulation strategy for the Big Data domain by describing the benefit of using designated access control for BD units and performance and taking into consideration the need for BD and AC system. We then presented a generic of Big Data access control system to improve the dissemination of Big Data.

Keywords: access control, security, Big Data, domain

Procedia PDF Downloads 114

Authors: Alfredo Soeiro

Abstract:

Rehabilitation in construction or built environment is a particular type of operations when concerning prevention of accidents. In fact, it is also a different type of task in construction itself. Therefore, due to the complex characteristics of construction rehabilitation tasks and due to the intrinsic difficulty of preventing accidents in construction, a major challenge faces the responsibility for implementing adequate safety levels in this type of safety management. This paper addresses a set of proposed generic measures to face the unknown characteristics of built environment in terms of stability, materials and actual performance of buildings or other constructions. It is also addressed the necessary adaptation of preventive guidelines to this type of delicate refurbishing and renovating of existing facilities. Training, observation and reflective approaches are necessary to perform this safety management in the rehabilitation of built environment.

Keywords: built environment, rehabilitation, construction safety, accident prevention, safety plan

Procedia PDF Downloads 190

Authors: Genevieve Pugh, Johnathan Burns, Stefan Howorka

Abstract:

Single-molecule sensing via protein nanopores has achieved a step-change in portable and label-free DNA sequencing. However, protein pores of both natural or engineered origin are not able to produce the tunable diameters needed for effective protein sensing. Here, we describe a generic strategy to build synthetic DNA nanopores that are wide enough to accommodate folded protein. The pores are composed of interlinked DNA duplexes and carry lipid anchors to achieve the required membrane insertion. Our demonstrator pore has a contiguous cross-sectional channel area of 50 nm2 which is 6-times larger than the largest protein pore. Consequently, transport of folded protein across bilayers is possible. The modular design is amenable for different pore dimensions and can be adapted for protein sensing or to create molecular gates in synthetic biology.

Keywords: biosensing, DNA nanotechnology, DNA origami, nanopore sensing

Procedia PDF Downloads 301

Authors: Hiroshi Yamaguchi, Phillip C. Y. Sheu, Ryo Fujita, Shigeo Tsujii

Abstract:

In this paper, the secure BioSemantic Scheme is presented to bridge biological/biomedical research problems and computational solutions via semantic computing. Due to the diversity of problems in various research fields, the semantic capability description language (SCDL) plays and important role as a common language and generic form for problem formalization. SCDL is expected the essential for future semantic and logical computing in Biosemantic field. We show several example to Biomedical problems in this paper. Moreover, in the coming age of cloud computing, the security problem is considered to be crucial issue and we presented a practical scheme to cope with this problem.

Keywords: biomedical applications, private information retrieval (PIR), semantic capability description language (SCDL), semantic computing

Procedia PDF Downloads 375

Authors: Rameez Ahmad, Aqib Mehmood, Imran Khan

Abstract:

Self-directed car (SDC) that can drive itself from one fact to another without support from a driver. Certain trust that self-directed car obligate the probable to transform the transportation manufacturing while essentially removing coincidences, and cleaning up the environment. This study realizes the effects that SDC (also called a self-driving, driver or robotic) vehicle travel demands and ride scheme is likely to have. Without the typical obstacles that allows detection of a audio vision based hardware and software construction (It (SDC) and cost benefits, the vehicle technologies, Gold (Generic Obstacle and Lane Detection) to a knowledge-based system to predict their potential and consider the shape, color, or balance) and an organized environment with colored lane patterns, lane position ban. Discovery the problematic consequence of (SDC) on GT (grand trunk road) road and brand the car further effectual.

Keywords: SDC, gold, GT, knowledge-based system

Procedia PDF Downloads 343

Authors: Ibrahim Elnour Abdelrahman Eltayeb

Abstract:

Computational modelling is a method used to investigate joint forces during a movement. It can get high accuracy in the joint forces via subject-specific models. However, the construction of subject-specific models remains time-consuming and expensive. The purpose of this paper was to identify what alterations we can make to generic computational models to get a better estimation of the joint forces. It appraised the impact of these alterations on the accuracy of the estimated joint forces. It found different strategies of alterations: joint model, muscle model, and an optimisation problem. All these alterations affected joint contact force accuracy, so showing the potential for improving the model predictions without involving costly and time-consuming medical images.

Keywords: joint force, joint model, optimisation problem, validation

Procedia PDF Downloads 150

Authors: Zane Turner, Kevin Labille, Susan Gauch

Abstract:

Sentiment analysis is a broad and expanding field that aims to extract and classify opinions from textual data. Lexicon-based approaches are based on the use of a sentiment lexicon, i.e., a list of words each mapped to a sentiment score, to rate the sentiment of a text chunk. Our work focuses on predicting stock price change using a sentiment lexicon built from financial conference call logs. We present a method to generate a sentiment lexicon based upon an existing probabilistic approach. By using a domain-specific lexicon, we outperform traditional techniques and demonstrate that domain-specific sentiment lexicons provide higher accuracy than generic sentiment lexicons when predicting stock price change.

Keywords: computational finance, sentiment analysis, sentiment lexicon, stock movement prediction

Procedia PDF Downloads 108

Authors: Zane Turner, Kevin Labille, Susan Gauch

Abstract:

Sentiment analysis is a broad and expanding field that aims to extract and classify opinions from textual data. Lexicon-based approaches are based on the use of a sentiment lexicon, i.e., a list of words each mapped to a sentiment score, to rate the sentiment of a text chunk. Our work focuses on predicting stock price change using a sentiment lexicon built from financial conference call logs. We introduce a method to generate a sentiment lexicon based upon an existing probabilistic approach. By using a domain-specific lexicon, we outperform traditional techniques and demonstrate that domain-specific sentiment lexicons provide higher accuracy than generic sentiment lexicons when predicting stock price change.

Keywords: computational finance, sentiment analysis, sentiment lexicon, stock movement prediction

Procedia PDF Downloads 154

Authors: Emna Benmohamed, Hela Ltifi, Mounir Ben Ayed

Abstract:

Bayesian Network (BN) is one of the most efficient classification methods. It is widely used in several fields (i.e., medical diagnostics, risk analysis, bioinformatics research). The BN is defined as a probabilistic graphical model that represents a formalism for reasoning under uncertainty. This classification method has a high-performance rate in the extraction of new knowledge from data. The construction of this model consists of two phases for structure learning and parameter learning. For solving this problem, the K2 algorithm is one of the representative data-driven algorithms, which is based on score and search approach. In addition, the integration of the expert's knowledge in the structure learning process allows the obtainment of the highest accuracy. In this paper, we propose a hybrid approach combining the improvement of the K2 algorithm called K2 algorithm for Parents and Children search (K2PC) and the expert-driven method for learning the structure of BN. The evaluation of the experimental results, using the well-known benchmarks, proves that our K2PC algorithm has better performance in terms of correct structure detection. The real application of our model shows its efficiency in the analysis of the phosphate laundry effluents' impact on the watershed in the Gafsa area (southwestern Tunisia).

Keywords: Bayesian network, classification, expert knowledge, structure learning, surface water analysis

Procedia PDF Downloads 104

Authors: Arianna Zhu, Thomas Bakupog

Abstract:

Taxol (generic name paclitaxel) is an antineoplastic drug used to treat breast, lung, and ovarian cancer. It performs exceptionally well against a wide variety of tumors, including B16 melanoma, L1210 and P388 leukemias, MX-1 mammary tumors, and CX-1 colon tumor xenografts. However, despite taxol’s efficacy in antitumor activity, its aqueous solubility is extremely poor, decreasing its bioavailability and making it difficult for the body to absorb. The objective of this study is to improve the solubility of taxol, thus increasing the bioavailability of the drug in preventing cancer. By modifying the structure of taxol, four novel taxol derivatives were created with improved solubilities. Two of the derivatives were given an additional hydrogen donor and acceptor and thus showed a pronounced positive change in solubility. The results of this work solve the issue of taxol’s inadequate solubility and show potential in increasing the absorption of the drug.

Keywords: Taxol, Solubility, improving bioavailability, logP

Procedia PDF Downloads 48

Authors: Mezidi Amar

Abstract:

In this research work, crack propagation at the interface of a composite beam is considered. The behavior of composite beams (CB) depends upon a law based on relationship between tangential or normal efforts with inelastic propagation. Throughout this study, composite beams are classified like composite beams with partial connection or sandwich beams of three layers. These structural systems are controlled by the same nature of differential equations regarding their behavior in the plane, as well as out-of-plane. Multi-layer elements with partial connection are typically met in the field of timber construction where the elements are assembled by joining. The formalism of the behavior in the plane and out-of-plane of these composite beams is obtained and their results concerning the engineering aspect or simple of interpretation are proposed for the case of composite beams made up of rectangular section and simply supported section. An apparent analytical peculiarity or paradox in the bending behavior of elastic–composite beams with interlayer slip, sandwich beam or other similar problems subjected to boundary moments exists. For a fully composite beam subjected to end moments, the partial composite model will render a non-vanishing uniform value for the normal force in the individual subelement. Obtained results are similar to those for the case of vibrations in the plane as well for the composite beams as for the sandwich beams where eigen-frequencies increase with related rigidity.

Keywords: composite beam, behaviour, interface, deflection, propagation

Procedia PDF Downloads 279

Authors: Pedro F. Albuquerque, Pedro V. Gamboa, Miguel A. Silvestre

Abstract:

The present work describes the implementation of the Enhanced Collaborative Optimization (ECO) multilevel architecture with a gradient-based optimization algorithm with the aim of performing a multidisciplinary design optimization of a generic unmanned aerial vehicle with morphing technologies. The concepts of weighting coefficient and a dynamic compatibility parameter are presented for the ECO architecture. A routine that calculates the aircraft performance for the user defined mission profile and vehicle’s performance requirements has been implemented using low fidelity models for the aerodynamics, stability, propulsion, weight, balance and flight performance. A benchmarking case study for evaluating the advantage of using a variable span wing within the optimization methodology developed is presented.

Keywords: multidisciplinary, multilevel, morphing, enhanced collaborative optimization

Procedia PDF Downloads 908

Authors: Lan Yang, Kathryn Cormican, Ming Yu

Abstract:

ISO/IEC/IEEE 15288: 2015, Systems and Software Engineering - System Life Cycle Processes is an international standard that provides generic top-level process descriptions to support systems engineering (SE). However, the processes defined in the standard needs improvement to lift integrity and consistency. The goal of this research is to explore the way by building an ontology model for the SE standard to manage the knowledge of SE. The ontology model gives a whole picture of the SE knowledge domain by building connections between SE concepts. Moreover, it creates a hierarchical classification of the concepts to fulfil different requirements of displaying and analysing SE knowledge.

Keywords: knowledge management, model-based systems engineering, ontology modelling, systems engineering ontology

Procedia PDF Downloads 406

Authors: Leonardo A. Ambrosio, Carlos. H. Silva Santos, Ivan E. L. Rodrigues, Ayumi K. de Campos, Leandro A. Machado

Abstract:

In this work, we propose an algorithm developed under Python language for the modeling of ordinary scalar Bessel beams and their discrete superpositions and subsequent calculation of optical forces exerted over dielectric spherical particles. The mathematical formalism, based on the generalized Lorenz-Mie theory, is implemented in Python for its large number of free mathematical (as SciPy and NumPy), data visualization (Matplotlib and PyJamas) and multiprocessing libraries. We also propose an approach, provided by a synchronized Software as Service (SaaS) in cloud computing, to develop a user interface embedded on a mobile application, thus providing users with the necessary means to easily introduce desired unknowns and parameters and see the graphical outcomes of the simulations right at their mobile devices. Initially proposed as a free Android-based application, such an App enables data post-processing in cloud-based architectures and visualization of results, figures and numerical tables.

Keywords: Bessel Beams and Frozen Waves, Generalized Lorenz-Mie Theory, Numerical Methods, optical forces

Procedia PDF Downloads 362

Authors: Ijaz Ul Haq, Fiorenzo Franceschini

Abstract:

The distributed manufacturing methodology brings a new concept of decentralized manufacturing operations close to the proximity of end users. A preliminary scale, to measure distributed capacity and evaluate positioning of firms, is developed in this research. In the first part of the paper, a literature review has been performed which highlights the explorative nature of the studies conducted to present definitions and classifications due to novelty of this topic. From literature, five dimensions of distributed manufacturing development stages have been identified: localization, manufacturing technologies, customization and personalization, digitalization and democratization of design. Based on these determinants a conceptual scale is proposed to measure the status of distributed manufacturing of a generic firm. A multiple case study is then conducted in two steps to test the conceptual scale and to identify the corresponding level of distributed potential in each case study firm.

Keywords: distributed manufacturing, distributed capacity, localized production, ordinal scale

Procedia PDF Downloads 146

Authors: Sofiane Bendoukha, Daniel Moldt, Hayat Bendoukha

Abstract:

Workflow concepts are essential for the development of remote sensing applications. They can help users to manage and process satellite data and execute scientific experiments on distributed resources. The objective of this paper is to introduce an approach for the specification and the execution of complex scientific workflows in Cloud-like environments. The approach strives to support scientists during the modeling, the deployment and the monitoring of their workflows. This work takes advantage from Petri nets and more pointedly the so-called reference nets formalism, which provides a robust modeling/implementation technique. RENEWGRASS is a tool that we implemented and integrated into the Petri nets editor and simulator RENEW. It provides an easy way to support not experienced scientists during the specification of their workflows. It allows both modeling and enactment of image processing workflows from the remote sensing domain. Our case study is related to the implementation of vegetation indecies. We have implemented the Normalized Differences Vegetation Index (NDVI) workflow. Additionally, we explore the integration possibilities of the Cloud technology as a supplementary layer for the deployment of the current implementation. For this purpose, we discuss migration patterns of data and applications and propose an architecture.

Keywords: cloud computing, scientific workflows, petri nets, RENEWGRASS

Procedia PDF Downloads 432

Authors: Meriem Harmel, Houari Khachai

Abstract:

The full potential linearized augmented plane wave (FP-LAPW)method within density functional theory is applied to study, for the first time, the structural and electronic properties of CaFI and to compare them with CaFCl and CaFBr, all compounds belonging to the tetragonal PbFCl structure group with space group P4/nmm. We used the generalized gradient approximation (GGA) based on exchange–correlation energy optimization to calculate the total energy and also the Engel– Vosko GGA formalism, which optimizes the corresponding potential for band structure calculations. Ground state properties such as the lattice parameters, c/a ratio, bulk modulus, pressure derivative of the bulk modulus and cohesive energy are calculated, as well as the optimized internal parameters, by relaxing the atomic position in the force directions. The variations of the calculated interatomic distances and angles between different atomic bonds are discussed. CaFCl was found to have a direct band gap at whereas CaFBr and BaFI have indirect band gaps. From these computed bands, all three materials are found to be insulators having band gaps of 6.28, 5.46, and 4.50 eV, respectively. We also calculated the valence charge density and the total density of states at equilibrium volume for each compound. The results are in reasonable agreement with the available experimental data.

Keywords: DFT, matlockite, structural properties, electronic structure

Procedia PDF Downloads 298

Authors: A. Abada, S. Hiadsi, T. Ouahrani, B. Amrani, K. Amara

Abstract:

Using the first-principles full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method based on density functional theory (DFT), we have investigated the electronic structure and magnetism of some Co2- based full Heusler alloys, namely Co2ZrGe and Co2NbB. The calculations show that these compounds are to be half-metallic ferromagnets (HMFs) with a total magnetic moment of 2.000 µB per formula unit, well consistent with the Slater-Pauling rule. Our calculations show indirect band gaps of 0.58 eV and 0.47 eV in the minority spin channel of density of states (DOS) for Co2ZrGe and Co2NbB, respectively. Analysis of the DOS and magnetic moments indicates that their magnetism is mainly related to the d-d hybridization between the Co and Zr (or Nb) atoms. The half metallicity is found to be robust against volume changes and the two alloys kept a 100% of spin polarization at the Fermi level. In addition, an atom inside molecule AIM formalism and an electron localization function ELF were also adopted to study the bonding properties of these compounds, building a bridge between their electronic and bonding behavior. As they have a good crystallographic compatibility with the lattice of semiconductors used industrially and negative calculated cohesive energies with considerable absolute values these two alloys could be promising magnetic materials in the spintronics field.

Keywords: half-metallic ferromagnets, full Heusler alloys, magnetic properties, electronic properties

Procedia PDF Downloads 385

Authors: Wheyming Song, Hung-Hsiang Lin, Scott Lian

Abstract:

In this research, we investigate the optimal dispatching rule for machines and manpower allocation in the solar ingot-wafer systems. The performance of the method is measured by the sales profit for each dollar paid to the operators in a one week at steady-state. The decision variables are identification-number of machines and operators when each job is required to be served in each process. We propose a rule which is a function of operator’s ability, corresponding salary, and standing location while in the factory. The rule is named ‘Multi-nominal distribution dispatch rule’. The proposed rule performs better than many traditional rules including generic algorithm and particle swarm optimization. Simulation results show that the proposed Multi-nominal distribution dispatch rule improvement on the sales profit dramatically.

Keywords: dispatching, solar ingot, simulation, flexsim

Procedia PDF Downloads 281

Authors: Dinesh Kumar Maurya, Sapan Mohan Saini

Abstract:

A theoretical formalism to calculate the structural, electronic and optical properties of orthorhombic crystals from first principle calculations is described. This is applied first time to new YNi4Si-type DyNi4Si compound. Calculations are performed using full-potential augmented plane wave (FPLAPW) method in the framework of density functional theory (DFT). The Coulomb corrected local-spin density approximation (LSDA+U) in the self-interaction correction (SIC) has been used for exchange-correlation potential. Our optimized results of lattice parameters show good agreement to the previously reported experimental study. Analysis of the calculated band structure of DyNi4Si compound demonstrates their metallic character. We found Ni-3d states mainly contribute to density of states from -5.0 eV to the Fermi level while the Dy-f states peak stands tall in comparison to the small contributions made by the Ni-d and R-d states above Fermi level, which is consistent with experiment, in DNi4Si compound. Our calculated optical conductivity compares well with the experimental data and the results are analyzed in the light of band-to-band transitions. We also report the frequency-dependent refractive index n(ω) and the extinction coefficient k(ω) of the compound.

Keywords: band structure, density of states, optical properties, LSDA+U approximation, YNi4Si- type DyNi4Si compound

Procedia PDF Downloads 333

Authors: Surinder Sood, Debajyoti Mukherjee

Abstract:

Formal verification techniques have become widely popular in pre-silicon verification as an alternate to constrain random simulation based techniques. This paper proposed a novel formal verification-based coverage augmentation technique in verifying complex RTL functional verification faster. The proposed approach relies on augmenting coverage analysis coming from simulation and formal verification. Besides this, the functional qualification framework not only helps in improving the coverage at a faster pace but also aids in maturing and qualifying the formal verification infrastructure. The proposed technique has helped to achieve faster verification sign-off, resulting in faster time-to-market. The design picked had a complex control and data path and had many configurable options to meet multiple specification needs. The flow is generic, and tool independent, thereby leveraging across the projects and design will be much easier

Keywords: COI (cone of influence), coverage, formal verification, fault injection

Procedia PDF Downloads 100