Search results for: lattice network

Authors: Navaneeth Krishnan, Chandan N. Bhagwat, Aparajit P. Utpat

Abstract:

Cloud Computing provides us a means to upload data and use applications over the internet. As the number of devices connecting to the cloud grows, there is undue pressure on the cloud infrastructure. Fog computing or Network Based Computing or Edge Computing allows to move a part of the processing in the cloud to the network devices present along the node to the cloud. Therefore the nodes connected to the cloud have a better response time. This paper proposes a method of moving the computation from the cloud to the network by introducing an android like appstore on the networking devices.

Keywords: cloud computing, fog computing, network devices, appstore

Procedia PDF Downloads 362

Authors: M. Kollar, A. Zieba

Abstract:

In this paper, we present a method for a time synchronization between the two eNodeBs (eNBs) in E-UTRAN (Evolved Universal Terrestrial Radio Access) network. The two eNBs are cooperating in so-called inter eNB CA (Carrier Aggregation) case and connected via asymmetrical IP network. We solve the problem by using broadcasting signals generated in E-UTRAN as synchronization signals. The results show that the time synchronization with the proposed method is possible with the error significantly less than 1 ms which is sufficient considering the time transmission interval is 1 ms in E-UTRAN. This makes this method (with low complexity) more suitable than Network Time Protocol (NTP) in the mobile applications with generated broadcasting signals where time synchronization in asymmetrical network is required.

Keywords: IP scheduled throughput, E-UTRAN, Evolved Universal Terrestrial Radio Access Network, NTP, Network Time Protocol, assymetric network, delay

Procedia PDF Downloads 338

Authors: K. R. Phaneesh, Anirudh Bhat, G. Mukherjee, K. T. Kashyap

Abstract:

Extensive Monte Carlo Potts model simulations were performed on 2D square lattice to investigate the effects of simulated higher temperatures effects on grain growth kinetics. A range of simulation temperatures (KTs) were applied on a matrix of size 10002 with Q-state 64, dispersed with a wide range of second phase particles, ranging from 0.001 to 0.1, and then run to 100,000 Monte Carlo steps. The average grain size, the largest grain size and the grain growth exponent were evaluated for all particle fractions and simulated temperatures. After evaluating several growth parameters, the critical temperature for a square lattice, with eight nearest neighbors, was found to be KTs = 0.4.

Keywords: average grain size, critical temperature, grain growth exponent, Monte Carlo steps

Procedia PDF Downloads 500

Authors: Kolesnik Nadezda A.

Abstract:

The research aims to elaborate inter-organizational network relationships management model to maximize value co-creation. We propose a network management framework that requires evaluation of network partners with respect to their position and role in network; and elaboration of appropriate relationship development strategy with partners in network. Empirical research and approval is based on the case study method, including structured in-depth interviews with the companies from b2b market.

Keywords: inter-organizational networks, value co-creation, model, B2B market

Procedia PDF Downloads 427

Authors: Sourour Ramzi, Claudia Sarrico

Abstract:

Little has been done on network DEA in education, and nobody has attempted to model the whole education supply chain using network DEA. As such the contribution of the present paper is to propose a model for measuring the efficiency of education supply chains using network DEA. First, we use a general survey of data envelopment analysis (DEA) to establish the emergent themes for research in DEA, and focus on the theme of Network DEA. Second, we use a survey on two-stage DEA models, and Network DEA to write a state of the art on Network DEA, particularly applied to supply chain management. Third, we use a survey on DEA applications to establish the most influential papers on DEA education applications, in order to establish the state of the art on applications of DEA in education, in general, and applications of DEA to education using network DEA, in particular. Finally, we propose a model for measuring the performance of education supply chains of different education systems (countries or states within a country, for instance). We then use this model on some empirical data.

Keywords: supply chain, education, data envelopment analysis, network DEA

Procedia PDF Downloads 346

Authors: Sandeep Singh Waraich

Abstract:

Wireless sensor network (WSN ) consists of a large number of sensor nodes. The disparity in their energy consumption usually lead to the loss of equilibrium in wireless sensor network which may further results in an energy hole problem in wireless network. In this paper, we have considered the inclusion of orphan nodes which usually remain unutilized as intermediate nodes in multi-hop routing. The Orphan Node Inclusion (ONI) Protocol lets the cluster member to bring the orphan nodes into their clusters, thereby saving important resources and increasing network lifetime in critical applications of WSN.

Keywords: wireless sensor network, orphan node, clustering, ONI protocol

Procedia PDF Downloads 396

Authors: Seungho Shin, Keunwoo Choi, Ali Akbar, Sukkee Um

Abstract:

In this study, the nanoscale transport properties and catalyst utilization of vertically aligned carbon nanotube (VACNT) catalyst layers are computationally predicted by the three-dimensional lattice Boltzmann simulation based on the quasi-random nanostructural model in pursuance of fuel cell catalyst performance improvement. A series of catalyst layers are randomly generated with statistical significance at the 95% confidence level to reflect the heterogeneity of the catalyst layer nanostructures. The nanoscale gas transport phenomena inside the catalyst layers are simulated by the D3Q19 (i.e., three-dimensional, 19 velocities) lattice Boltzmann method, and the corresponding mass transport characteristics are mathematically modeled in terms of structural properties. Considering the nanoscale reactant transport phenomena, a transport-based effective catalyst utilization factor is defined and statistically analyzed to determine the structure-transport influence on catalyst utilization. The tortuosity of the reactant mass transport path of VACNT catalyst layers is directly calculated from the streaklines. Subsequently, the corresponding effective mass diffusion coefficient is statistically predicted by applying the pre-estimated tortuosity factors to the Knudsen diffusion coefficient in the VACNT catalyst layers. The statistical estimation results clearly indicate that the morphological structures of VACNT catalyst layers reduce the tortuosity of reactant mass transport path when compared to conventional catalyst layer and significantly improve consequential effective mass diffusion coefficient of VACNT catalyst layer. Furthermore, catalyst utilization of the VACNT catalyst layer is substantially improved by enhanced mass diffusion and electric current paths despite the relatively poor interconnections of the ion transport paths.

Keywords: Lattice Boltzmann method, nano transport phenomena, polymer electrolyte fuel cells, vertically aligned carbon nanotube

Procedia PDF Downloads 177

Authors: Salman Piri

Abstract:

In this study, a two-dimensional lattice Boltzmann method (LBM) was considered for the numerical simulation of fluid flow in a channel. Also, the Lagrangian method was used for particle tracking in one-way coupling. Three hundred spherical particles with specific diameters were released in the channel entry and an elliptical object was placed in the channel for flow obstruction. The effect of gravity, the drag force, the Saffman lift and the Brownian forces were evaluated in the particle motion trajectories. Also, the effect of the geometrical parameter, ellipse aspect ratio, and the flow characteristic or Reynolds number was surveyed for the transport and deposition of particles. Moreover, the influence of particle diameter between 0.01 and 10 µm was investigated. Results indicated that in small Reynolds, more inertial and gravitational trapping occurred on the obstacle surface for particles with larger diameters. Whereas, for nano-particles, influenced by Brownian diffusion and vortices behind the obstacle, the inertial and gravitational mechanisms were insignificant and diffusion was the dominant deposition mechanism. In addition, in Reynolds numbers larger than 400, there was no significant difference between the deposition of finer and larger particles. Also, in higher aspect ratios of the ellipse, more inertial trapping occurred for particles of larger diameter (10 micrometers), while in lower cases, interception and gravitational mechanisms were dominant.

Keywords: ellipse aspect elito, particle tracking diffusion, lattice boltzman method, larangain particle tracking

Procedia PDF Downloads 57

Authors: Juanbo PU

Abstract:

Geographic condition plays a significant role in spatial segregation between ethnic migrants and Han migrants in China, especially for labor migrants. Different from previous studies, this paper investigates racial segregation in China from a new perspective, a dynamic view, to compare the migration network between Han labor migrants and ethnic labor migrants, and integrated with network analysis to capture more node (city) features in the network. The result shows that topographic relief is highly related to the centrality of a city in the ethnic network; however, this effect is not significant for Han people. For the role of the high-speed railway, it could slightly improve the popularity of a city in the Han network but not significant in the ethnic network; however, the construction of a high-speed railway could consolidate the role of intermediary or mediation of a city in the ethnic network, especially in areas with higher topographic relief.

Keywords: Topographic relief, Transportation, Ethnic migrant, Network analysis

Procedia PDF Downloads 2

Authors: M. Yousaf, S. Usman

Abstract:

The present study focused on the investigation of the effects of roughness elements on heat transfer during natural convection in a rectangular cavity using a numerical technique. Roughness elements were introduced on the bottom hot wall with a normalized amplitude (A*/H) of 0.1. Thermal and hydrodynamic behavior was studied using a computational method based on Lattice Boltzmann method (LBM). Numerical studies were performed for a laminar natural convection in the range of Rayleigh number (Ra) from 103 to 106 for a rectangular cavity of aspect ratio (L/H) 2 with a fluid of Prandtl number (Pr) 1.0. The presence of the sinusoidal roughness elements caused a minimum to the maximum decrease in the heat transfer as 7% to 17% respectively compared to the smooth enclosure. The results are presented for mean Nusselt number (Nu), isotherms, and streamlines.

Keywords: natural convection, Rayleigh number, surface roughness, Nusselt number, Lattice Boltzmann method

Procedia PDF Downloads 515

Authors: Surinder Singh, Meenakshi

Abstract:

In this paper MZI-FBG based optical add drop multiplexer is designed and its performance is analyzed in the ring network. In the ring network nodes are composed of optical add drop multiplexer, transmitter and receiver. OADM is used to add or drop any frequency at intermediate nodes without affecting other channels. In this paper the performance of the ring network is carried out by varying various kinds of fiber with or without amplifiers.

Keywords: OADM, ring network, MZI-FBG, transmitter

Procedia PDF Downloads 549

Authors: Atul K. Desai, Hemal J. Shah

Abstract:

The tall windmill towers are designed as monopole tower or lattice tower. In the present research, a 125-meter high hybrid tower which is a combination of lattice and monopole type is proposed. The response of hybrid tower is compared with conventional monopole tower. The towers were analyzed in finite element method software considering nonlinear seismic time history load. The synthetic seismic time history for different soil is derived using the SeismoARTIF software. From the present research, it is concluded that, in the hybrid tower, we are not getting resonance condition. The base shear is less in hybrid tower compared to monopole tower for different soil conditions.

Keywords: dynamic analysis, hybrid wind mill tower, resonance condition, synthetic time history

Procedia PDF Downloads 125

Authors: Belbahi Ahlam

Abstract:

With the phenomenal growth in the Internet, network security has become an integral part of computer and information security. In order to come up with measures that make networks more secure, it is important to learn about the vulnerabilities that could exist in a computer network and then have an understanding of the typical attacks that have been carried out in such networks. The first half of this paper will expose the readers to the classical network attacks that have exploited the typical vulnerabilities of computer networks in the past and solutions that have been adopted since then to prevent or reduce the chances of some of these attacks. The second half of the paper will expose the readers to the different network security controls including the network architecture, protocols, standards and software/ hardware tools that have been adopted in modern day computer networks.

Keywords: network security, attacks and controls, computer and information, solutions

Procedia PDF Downloads 427

Authors: František Včelař, Zuzana Pátíková

Abstract:

Recently a new type of very general relational structures, the so called (L-)complete propelattices, was introduced. These significantly generalize complete lattices and completely lattice L-ordered sets, because they do not assume the technically very strong property of transitivity. For these structures also the main part of the original Tarski’s fixed point theorem holds for (L-fuzzy) isotone maps, i.e., the part which concerns the existence of fixed points and the structure of their set. In this paper, fundamental properties of (L-)complete propelattices are recalled and the so called L-fuzzy relatively isotone maps are introduced. For these maps it is proved that they also have fixed points in L-complete propelattices, even if their set does not have to be of an awaited analogous structure of a complete propelattice.

Keywords: fixed point, L-complete propelattice, L-fuzzy (relatively) isotone map, residuated lattice, transitivity

Procedia PDF Downloads 258

Authors: Yong Xue, Daniel A. Menascé

Abstract:

Automated and end-to-end network resource management and provisioning for virtual service networks in a multiple autonomous systems (a.k.a multi-AS) environment is a challenging and open problem. This paper proposes a novel, scalable and interoperable high-level architecture that incorporates a number of emerging enabling technologies including Software Defined Network (SDN), Network Function Virtualization (NFV), Service Oriented Architecture (SOA), and Autonomic Computing. The proposed architecture can be used to not only automate network resource management and provisioning for virtual service networks across multiple autonomous substrate networks, but also provide an adaptive capability for achieving optimal network resource management and maintaining network-level end-to-end network performance as well. The paper argues that this SDN and autonomic computing based architecture lays a solid foundation that can facilitate the development of the future Internet based on the pluralistic paradigm.

Keywords: virtual network, software defined network, virtual service network, adaptive resource management, SOA, multi-AS, inter-domain

Procedia PDF Downloads 501

Authors: Bing Chen, Xiang Ni, Eric Li

Abstract:

With the population ageing, the number of patients suffering from chronic diseases is increasing, among which stroke is a high incidence for the elderly. In addition, there is a gradual increase in the number of patients with orthopedic or neurological conditions such as spinal cord injuries, nerve injuries, and other knee injuries. These diseases are chronic, with high recurrence and complications, and normal walking is difficult for such patients. Nowadays, robotic knee exoskeletons have been developed for individuals with knee impairments. However, the currently available robotic knee exoskeletons are generally developed with heavyweight, which makes the patients uncomfortable to wear, prone to wearing fatigue, shortening the wearing time, and reducing the efficiency of exoskeletons. Some lightweight materials, such as carbon fiber and titanium alloy, have been used for the development of robotic knee exoskeletons. However, this increases the cost of the exoskeletons. This paper illustrates the design of a new ultra-light and ultra-stiff truss type of lattice structure. The lattice structures are arranged in a fan shape, which can fit well with circular arc surfaces such as circular holes, and it can be utilized in the design of rods, brackets, and other parts of a robotic knee exoskeleton to reduce the weight. The metamaterial is formed by continuous arrangement and combination of small truss structure unit cells, which changes the diameter of the pillar section, geometrical size, and relative density of each unit cell. It can be made quickly through additive manufacturing techniques such as metal 3D printing. The unit cell of the truss structure is small, and the machined parts of the robotic knee exoskeleton, such as connectors, rods, and bearing brackets, can be filled and replaced by gradient arrangement and non-uniform distribution. Under the condition of satisfying the mechanical properties of the robotic knee exoskeleton, the weight of the exoskeleton is reduced, and hence, the patient’s wearing fatigue is relaxed, and the wearing time of the exoskeleton is increased. Thus, the efficiency and wearing comfort, and safety of the exoskeleton can be improved. In this paper, a brief description of the hardware design of the prototype of the robotic knee exoskeleton is first presented. Next, the design of the ultra-light and ultra-stiff truss type of lattice structures is proposed, and the mechanical analysis of the single-cell unit is performed by establishing the theoretical model. Additionally, simulations are performed to evaluate the maximum stress-bearing capacity and compressive performance of the uniform arrangement and gradient arrangement of the cells. Finally, the static analysis is performed for the cell-filled rod and the unmodified rod, respectively, and the simulation results demonstrate the effectiveness and feasibility of the designed ultra-light and ultra-stiff truss type of lattice structures. In future studies, experiments will be conducted to further evaluate the performance of the designed lattice structures.

Keywords: additive manufacturing, lattice structures, metamaterial, robotic knee exoskeleton

Procedia PDF Downloads 79

Authors: Tet H. Yeap

Abstract:

An analog restricted Hopfield Network is presented in this paper. It consists of two layers of nodes, visible and hidden nodes, connected by directional weighted paths forming a bipartite graph with no intralayer connection. An energy or Lyapunov function was derived to show that the proposed network will converge to stable states. By introducing hidden nodes, the proposed network can be trained to store patterns and has increased memory capacity. Training to be an associative memory, simulation results show that the associative memory performs better than a classical Hopfield network by being able to perform better memory recall when the input is noisy.

Keywords: restricted Hopfield network, Lyapunov function, simultaneous perturbation stochastic approximation

Procedia PDF Downloads 108

Authors: Mustafa Arda, Metin Aydogdu

Abstract:

Carbon nanotubes (CNTs) have many possible application areas because of their superior physical properties. Nonlocal Theory, which unlike the classical theories, includes the size dependency. Nonlocal Stress and Strain Gradient approaches can be used in nanoscale static and dynamic analysis. In the present study, torsional vibration of CNTs was investigated according to nonlocal stress and strain gradient theories. Effects of the small scale parameters to the non-dimensional frequency were obtained. Results were compared with the Molecular Dynamics Simulation and Lattice Dynamics. Strain Gradient Theory has shown more weakening effect on CNT according to the Stress Gradient Theory. Combination of both theories gives more acceptable results rather than the classical and stress or strain gradient theory according to Lattice Dynamics.

Keywords: torsional vibration, carbon nanotubes, nonlocal gradient theory, stress, strain

Procedia PDF Downloads 363

Authors: Liang Bai, Yandong Xiao, Haorang Wang, Songyang Lao

Abstract:

The directedness of links is crucial to determine the controllability in complex networks. Even the edge directions can determine the controllability of complex networks. Obviously, for a given network, we wish to design its edge directions that make this network approach the optimal controllability. In this work, we firstly introduce two methods to enhance network by assigning edge directions. However, these two methods could not completely mitigate the negative effects of inaccessibility and dilations. Thus, to approach the optimal network controllability, the edge directions must mitigate the negative effects of inaccessibility and dilations as much as possible. Finally, we propose the edge direction for optimal controllability. The optimal method has been found to be successfully useful on real-world and synthetic networks.

Keywords: complex network, dynamics, network control, optimization

Procedia PDF Downloads 151

Authors: Annunziata D’Orazio, Arash Karimipour, Iman Moradi

Abstract:

The size and arrangement of the obstacles in the porous media has an influential effect on the fluid flow and heat transfer, even in the same porosity. Regarding to this, in the present study, several different amounts of obstacles, in both regular and stagger arrangements, in the analogous porosity have been simulated through a channel. In order to compare the effect of stagger and regular arrangements, as well as different quantity of obstacles in the same porosity, on fluid flow and heat transfer. In the present study, the Single Relaxation Time Lattice Boltzmann Method, with Bhatnagar-Gross-Ktook (BGK) approximation and D2Q9 model, is implemented for the numerical simulation. Also, the temperature field is modeled through a Double Distribution Function (DDF) approach. Results are presented in terms of velocity and temperature fields, streamlines, percentage of pressure drop and Nusselt number of the obstacles walls. Also, the correlation between tortuosity and Nusselt number of the obstacles walls, for both regular and staggered arrangements, has been proposed. On the other hand, the results illustrated that by increasing the amount of obstacles, as well as changing their arrangement from regular to staggered, in the same porosity, the rate of tortuosity and Nusselt number of the obstacles walls increased.

Keywords: lattice boltzmann method, heat transfer, porous media, pore-scale, porosity, tortuosity

Procedia PDF Downloads 64

Authors: Asma Ben Yaghlane, Mohamed Naceur Azaiez

Abstract:

We consider the problem of attacks on networks. We define the concept of system survivability in networks in the presence of intelligent threats. Our setting of the problem assumes a flow to be sent from one source node to a destination node. The attacker attempts to disable the network by preventing the flow to reach its destination while the defender attempts to identify the best path-set to use to maximize the chance of arrival of the flow to the destination node. Our concept is shown to be different from the classical concept of network reliability. We distinguish two types of network survivability related to the defender and to the attacker of the network, respectively. We prove that the defender-based-network survivability plays the role of a lower bound while the attacker-based-network survivability plays the role of an upper bound of network reliability. We also prove that both concepts almost never agree nor coincide with network reliability. Moreover, we use the shortest-path problem to determine the defender-based-network survivability and the min-cut problem to determine the attacker-based-network survivability. We extend the problem to a variety of models including the minimum-spanning-tree problem and the multiple source-/destination-network problems.

Keywords: defense/attack strategies, information, networks, reliability, survivability

Procedia PDF Downloads 363

Authors: Yagya Raj Pandeya, Joonwhoan Lee

Abstract:

The dynamic behavior of music and video makes it difficult to evaluate musical instrument playing in a video by computer system. Any television or film video clip with music information are rich sources for analyzing musical instruments using modern machine learning technologies. In this research, we integrate the audio and video information sources using convolutional neural network (CNN) and pass network learned features through recurrent neural network (RNN) to preserve the dynamic behaviors of audio and video. We use different pre-trained CNN for music and video feature extraction and then fine tune each model. The music network use 2D convolutional network and video network use 3D convolution (C3D). Finally, we concatenate each music and video feature by preserving the time varying features. The long short term memory (LSTM) network is used for long-term dynamic feature characterization and then use late fusion with generalized mean. The proposed network performs better performance to recognize the musical instrument using audio-video multimodal neural network.

Keywords: multimodal, 3D convolution, music-video feature extraction, generalized mean

Procedia PDF Downloads 191

Authors: Hazem J. Smadi

Abstract:

Performance of a supply chain is directly related to a distribution network that entails the location of storing materials or products and how products are delivered to the end customer through different stages in the supply chain. This study analyses the current distribution network used for delivering gas cylinders to end customer in Jordan. Evaluation of current distribution has been conducted across customer service components. A modification on the current distribution network in terms of central warehousing in each city in the country improves the response time and customer experience. 

Keywords: distribution network, gas cylinder, Jordan, supply chain

Procedia PDF Downloads 438

Authors: Athmane Bakhta, Sebastien Leclaire, David Vidal, Francois Bertrand, Mohamed Cheriet

Abstract:

This work presents a new three-dimensional variational model proposed for the simulation of ink seepage into paper sheets at the fiber level. The model, inspired by the Hising model, takes into account a finite volume of ink and describes the system state through gravity, cohesion, and adhesion force interactions. At the mesoscopic scale, the paper substrate is modeled using a discretized fiber structure generated using a numerical deposition procedure. A modified Monte Carlo method is introduced for the simulation of the ink dynamics. Besides, a multiphase lattice Boltzmann method is suggested to fine-tune the mesoscopic variational model parameters, and it is shown that the ink seepage behaviors predicted by the proposed model can resemble those predicted by a method relying on first principles.

Keywords: fibrous media, lattice Boltzmann, modelling and simulation, Monte Carlo, variational model

Procedia PDF Downloads 130

Authors: R. Poonkuzhali, M. Y. Sanavullah, M. R. Gurupriya

Abstract:

Opportunistic routing is used, where the network has the features like dynamic topology changes and intermittent network connectivity. In Delay Tolerant network or Disruption tolerant network opportunistic forwarding technique is widely used. The key idea of opportunistic routing is selecting forwarding nodes to forward data and coordination among these nodes to avoid duplicate transmissions. This paper gives the analysis of pros and cons of various opportunistic routing techniques used in MANET.

Keywords: ETX, opportunistic routing, PSR, throughput

Procedia PDF Downloads 470

Authors: Ava Salmanpour, Hanieh Saeedi, Payam Rouhi, Elahe Hamzeil, Shima Alimohammadi, Siamak Hossein Khalaj, Mohammad Asadian

Abstract:

Software-defined network (SDN) is a network architecture designed to control network using software application in a central manner. This ability enables remote control of the whole network regardless of the network technology. In fact, in this architecture network intelligence is separated from physical infrastructure, it means that required network components can be implemented virtually using software applications. Today, power networks are characterized by a high range of complexity with a large number of intelligent devices, processing both huge amounts of data and important information. Therefore, reliable and secure communication networks are required. SDNs are the best choice to meet this issue. In this paper, SDN networks capabilities and characteristics will be reviewed and different basic controllers will be compared. The importance of using SDNs to escalate efficiency and reliability in utility power networks is going to be discussed and the comparison between the SDN-based power networks and traditional networks will be explained.

Keywords: software-defined network, SDNs, utility network, open flow, communication, gas and electricity, controller

Procedia PDF Downloads 85

Authors: Mohsen Sanayei, Jerzy Szpunar

Abstract:

The present study investigates the effects of deformation strain and annealing temperature on the formation of twin boundaries, deformation and recrystallization texture evolution and grain boundary networks and connectivity. The resulting microstructures were characterized using Electron Backscatter Diffraction (EBSD) and X-Ray Diffraction (XRD) both immediately following small amount of deformation and after short time annealing at high temperature to correlate the micro and macro texture evolution of these alloys. Furthermore, this study showed that the process of grain boundary engineering, consisting cycles of deformation and annealing, is found to substantially reduce the mass and size of random boundaries and increase the proportion of low Coincidence Site Lattice (CSL) grain boundaries.

Keywords: coincidence site lattice, grain boundary engineering, electron backscatter diffraction, texture, x-ray diffraction

Procedia PDF Downloads 285

Authors: Hamad R. Jappor, Zeyad Adnan Saleh, Mudar A. Abdulsattar

Abstract:

The ab initio restricted Hartree-Fock method is used to simulate the electronic structure of indium phosphide (InP) nanocrystals (NCs) (216-738 atoms) with sizes ranging up to about 2.5 nm in diameter. The calculations are divided into two parts, surface, and core. The oxygenated (001)-(1×1) facet that expands with larger sizes of nanocrystals is investigated to determine the rule of the surface in nanocrystals electronic structure. Results show that lattice constant and ionicity of the core part show decreasing order as nanocrystals grow up in size. The smallest investigated nanocrystal is 1.6% larger in lattice constant and 131.05% larger in ionicity than the converged value of largest investigated nanocrystal. Increasing nanocrystals size also resulted in an increase of core cohesive energy (absolute value), increase of core energy gap, and increase of core valence. The surface states are found mostly non-degenerated because of the effect of surface discontinuity and oxygen atoms. Valence bandwidth is wider on the surface due to splitting and oxygen atoms. The method also shows fluctuations in the converged energy gap, valence bandwidth and cohesive energy of core part of nanocrystals duo to shape variation. The present work suggests the addition of ionicity and lattice constant to the quantities that are affected by quantum confinement phenomenon. The method of the present model has threefold results; it can be used to approach the electronic structure of crystals bulk, surface, and nanocrystals.

Keywords: InP, nanocrystals core, ionicity, Hartree-Fock method, large unit cell

Procedia PDF Downloads 376

Authors: Noor Ul Ain Bhatti, M. Junaid Khan, Javed Ahmad, Murtaza Saleem, Shahid M. Ramay, Saadat A. Siddiqi

Abstract:

Manganese oxide is being recently used as electrode material for rechargeable batteries. In this study, Al incorporated Mn₂O₃ compositions were synthesized to study the effect of Al doping on electrochemical performance of host material. Structural studies were carried out using X-ray diffraction analysis to confirm the phase stability and explore the lattice parameters, crystallite size, lattice strain, density and cell volume. Morphology and composition were analyzed using field emission scanning electron microscope and energy dispersive X-ray spectroscopy, respectively. Dynamic light scattering analysis was performed to observe the average particle size of the compositions. FTIR measurements exhibit the O-Al-O and O-Mn-O and Al-O bonding and with increasing the concentration of Al, the vibrational peaks of Mn-O become sharper. An enhanced electrochemical performance was observed in compositions with higher Al content.

Keywords: Mn2O3, electrode materials, energy storage and conversion, electrochemical performance

Procedia PDF Downloads 344

Authors: H. Baltache, M. El Amine. Monir, R. Khenata, D. Rached, T. Seddik

Abstract:

The first principles calculations based on the density functional theory (DFT) by using the full-potential linearized augmented plane wave (FP-LAPW) method within the generalized gradient approximation (GGA) in order to investigate the structural and electronic properties of Cd1-xVxS alloy at x = 0.25 in zincblende structure. For the structural properties, we have calculated the equilibrium lattice parameters, such as lattice constant, bulk modulus and first pressure derivatives of the bulk modulus. From the electronic structure, we obtain that Cd0.75V0.25S alloy is nearly half-metallic. The analysis of the density of states (DOS) curves allow to evaluate the spin-exchange splitting energies Δx(d) and Δx(pd) that are generated by V-3d states, where the effective potential for spin-down case is attractive than for spin-up case. Calculations of the exchange constants N0α (valence band) and N0β (conduction band) are served to describe the magnetic behavior of the compounds.

Keywords: first-principles calculations, structural properties, electronic properties

Procedia PDF Downloads 338