Search results for: cubic lattice
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 586

Search results for: cubic lattice

466 Torsional Vibration of Carbon Nanotubes via Nonlocal Gradient Theories

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 375
465 Lattice Boltzmann Simulation of Fluid Flow and Heat Transfer Through Porous Media by Means of Pore-Scale Approach: Effect of Obstacles Size and Arrangement on Tortuosity and Heat Transfer for a Porosity Degree

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 77
464 Lattice Network Model for Calculation of Eddy Current Losses in a Solid Permanent Magnet

Authors: Jan Schmidt, Pierre Köhring

Abstract:

Permanently excited machines are set up with magnets that are made of highly energetic magnetic materials. Inherently, the permanent magnets warm up while the machine is operating. With an increasing temperature, the electromotive force and hence the degree of efficiency decrease. The reasons for this are slot harmonics and distorted armature currents arising from frequency inverter operation. To prevent or avoid demagnetizing of the permanent magnets it is necessary to ensure that the magnets do not excessively heat up. Demagnetizations of permanent magnets are irreversible and a breakdown of the electrical machine is inevitable. For the design of an electrical machine, the knowledge of the behavior of heating under operating conditions of the permanent magnet is of crucial importance. Therefore, a calculation model is presented with which the machine designer can easily calculate the eddy current losses in the magnetic material.

Keywords: analytical model, eddy current, losses, lattice network, permanent magnet

Procedia PDF Downloads 411
463 Multiscale Simulation of Ink Seepage into Fibrous Structures through a Mesoscopic Variational Model

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 136
462 The Role of Deformation Strain and Annealing Temperature on Grain Boundary Engineering and Texture Evolution of Haynes 230

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 299
461 InP Nanocrystals Core and Surface Electronic Structure from Ab Initio Calculations

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 387
460 Electrochemical Performance of Al-Mn2O3 Based Electrode Materials

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 353
459 Structural and Electronic Properties of Cd0.75V0.25S Alloy

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 347
458 Investigating the Influence of Potassium Ion Doping on Lithium-Ion Battery Performance

Authors: Liyew Yizengaw Yitayih

Abstract:

This nanotechnology study focuses on how potassium ions (K+) affect lithium-ion (Li-ion) battery performance. By adding potassium ions (K+) to the lithium tin oxide (LiSnO) anode and employing styrene-butadiene rubber (SBR) as a binder, the doping of K+ was specifically studied. The methods employed in this study include computer modeling and simulation, material fabrication, and electrochemical characterization. The potassium ions (Li+) were successfully doped into the LiSnO lattice during charge/discharge cycles, which increased the lithium-ion diffusivity and electrical conductivity within the anode. However, it was found that internal doping of potassium ions (K+) into the LiSnO lattice occurred at high potassium ion concentrations (>16.6%), which hampered lithium ion transfer because of repulsion and physical blockage. The electrochemical efficiency of lithium-ion batteries was improved by this comprehensive study's presentation of potassium ions' (K+) potential advantages when present in the appropriate concentrations in electrode materials.

Keywords: lithium-ion battery, LiSnO anode, potassium doping, lithium-ion diffusivity, electronic conductivity

Procedia PDF Downloads 51
457 Polystyrene Paste as a Substitute for a Portland Cement: A Solution to the Nigerian Dilemma

Authors: Lanre Oluwafemi Akinyemi

Abstract:

The reduction of limestone to cement in Nigeria is expensive and requires huge amounts of energy. This significantly affects the cost of cement. Concrete is heavy: a cubic foot of it weighs about 150 lbs. and a cubic yard is about 4000 lbs. Thus a ready-mix truck with 9 cubic yards is carrying 36,000 lbs excluding the weight of the truck itself, thereby accumulating cost for also manufacturers. Therein lies the need to find a substitute for cement by using the polystyrene paste that benefits both the manufactures and the consumers. Polystyrene Paste Constructional Cement (PPCC), a patented material obtained by dissolving Waste EPS in volatile organic solvent, has recently been identified as a suitable binder/cement for construction and building material production. This paper illustrates the procedures of a test experiment undertaken to determine the splitting tensile strength of PPCC mortar compared to that of OPC (Ordinary Portland Cement). Expanded polystyrene was dissolved in gasoline to form a paste referred to as Polystyrene Paste Constructional Cement (PPCC). Mortars of mix ratios 1:4, 1:5, 1:6, 1:7 (PPCC: fine aggregate) batched by volume were used to produce 50mm x 100mm cylindrical PPCC mortar splitting tensile strength specimens. The control experiment was done by creating another series of cylindrical OPC mortar splitting tensile strength specimens following the same mix ratio used earlier. The PPCC cylindrical splitting tensile strength specimens were left to air-set, and the ones made with Ordinary Portland Cement (OPC) were demoded after 24 hours and cured in water. The cylindrical PPCC splitting tensile strength specimens were tested at 28 days and compared with those of the Ordinary Portland cement splitting tensile strength specimens. The result shows that hence for this two mixes, PPCC exhibits a better binding property than the OPC. With this my new invention I recommend the use of PPCC as a substitute for a Portland cement.

Keywords: polystyrene paste, Portland cement, construction, mortar

Procedia PDF Downloads 144
456 Structural, Magnetic and Electrical Properties of Gd3+ Doped CoFe2O4 Nanoparticles Synthesized by Sonochemical Method

Authors: Raghvendra Singh Yadav, Ivo Kuřitka

Abstract:

In this report, we studied the impact of Gd3+ substitution on structural, magnetic and electrical properties of CoFe2O4 nanoparticles synthesized by sonochemical method. X-ray diffraction pattern confirmed the formation of cubic spinel structure at low concentration of Gd3+ ions, however, GdFeO3 additional phase was observed at higher concentration of Gd3+ ions. Raman and Fourier Transform Infrared spectroscopy study also confirmed cubic spinel structure of Gd3+ substituted CoFe2O4 nanoparticles. The field emission scanning electron microscopy study revealed that Gd3+ substituted CoFe2O4 nanoparticles were in the range of 5-20 nm. The magnetic properties of Gd3+ substituted CoFe2O4 nanoparticles were investigated by using vibrating sample magnetometer. The variation in saturation magnetization, coercivity and remanent magnetization with Gd3+ concentration in CoFe2O4 nanoparticles was observed. The variation of real and imaginary part of dielectric constant, tan δ, and AC conductivity were studied at room temperature.

Keywords: spinel ferrites, nanoparticles, sonochemical method, magnetic properties

Procedia PDF Downloads 284
455 The Effect of Substrate Temperature on the Structural, Optical, and Electrical of Nano-Crystalline Tin Doped-Cadmium Telluride Thin Films for Photovoltaic Applications

Authors: Eman A. Alghamdi, A. M. Aldhafiri

Abstract:

It was found that the induce an isolated dopant close to the middle of the bandgap by occupying the Cd position in the CdTe lattice structure is an efficient factor in reducing the nonradiative recombination rate and increasing the solar efficiency. According to our laboratory results, this work has been carried out to obtain the effect of substrate temperature on the CdTe0.6Sn0.4 prepared by thermal evaporation technique for photovoltaic application. Various substrate temperature (25°C, 100°C, 150°C, 200°C, 250°C and 300°C) was applied. Sn-doped CdTe thin films on a glass substrate at a different substrate temperature were made using CdTe and SnTe powders by the thermal evaporation technique. The structural properties of the prepared samples were determined using Raman, x-Ray Diffraction. Spectroscopic ellipsometry and spectrophotometric measurements were conducted to extract the optical constants as a function of substrate temperature. The structural properties of the grown films show hexagonal and cubic mixed structures and phase change has been reported. Scanning electron microscopy (SEM) reviled that a homogenous with a bigger grain size was obtained at 250°C substrate temperature. The conductivity measurements were recorded as a function of substrate temperatures. The open-circuit voltage was improved by controlling the substrate temperature due to the improvement of the fundamental material issues such as recombination and low carrier concentration. All the result was explained and discussed on the biases of the influences of the Sn dopant and the substrate temperature on the structural, optical and photovoltaic characteristics.

Keywords: CdTe, conductivity, photovoltaic, ellipsometry

Procedia PDF Downloads 116
454 An Investigation of Wind Loading Effects on the Design of Elevated Steel Tanks with Lattice Tower Supporting Structures

Authors: J. van Vuuren, D. J. van Vuuren, R. Muigai

Abstract:

In recent times, South Africa has experienced extensive droughts that created the need for reliable small water reservoirs. These reservoirs have comparatively quick fabrication and installation times compared to market alternatives. An elevated water tank has inherent potential energy, resulting in that no additional water pumps are required to sustain water pressure at the outlet point – thus ensuring that, without electricity, a water source is available. The initial construction formwork and the complex geometric shape of concrete towers that requires casting can become time-consuming, rendering steel towers preferable. Reinforced concrete foundations, cast in advance, are required to be of sufficient strength. Thereafter, the prefabricated steel supporting structure and tank, which consist of steel panels, can be assembled and erected on site within a couple of days. Due to the time effectiveness of this system, it has become a popular solution to aid drought-stricken areas. These sites are normally in rural, schools or farmland areas. As these tanks can contain up to 2000kL (approximately 19.62MN) of water, combined with supporting lattice steel structures ranging between 5m and 30m in height, failure of one of the supporting members will result in system failure. Thus, there is a need to gain a comprehensive understanding of the operation conditions because of wind loadings on both the tank and the supporting structure. The aim of the research is to investigate the relationship between the theoretical wind loading on a lattice steel tower in combination with an elevated sectional steel tank, and the current wind loading codes, as applicable to South Africa. The research compares the respective design parameters (both theoretical and wind loading codes) whereby FEA analyses are conducted on the various design solutions. The currently available wind loading codes are not sufficient to design slender cantilever latticed steel towers that support elevated water storage tanks. Numerous factors in the design codes are not comprehensively considered when designing the system as these codes are dependent on various assumptions. Factors that require investigation for the study are; the wind loading angle to the face of the structure that will result in maximum load; the internal structural effects on models with different bracing patterns; the loading influence of the aspect ratio of the tank; and the clearance height of the tank on the structural members. Wind loads, as the variable that results in the highest failure rate of cantilevered lattice steel tower structures, require greater understanding. This study aims to contribute towards the design process of elevated steel tanks with lattice tower supporting structures.

Keywords: aspect ratio, bracing patterns, clearance height, elevated steel tanks, lattice steel tower, wind loads

Procedia PDF Downloads 139
453 An ab initioStudy of the Structural, Elastic, Electronic, and Optical Properties of the Perovskite ScRhO3

Authors: L. Foudia, K. Haddadi, M. Reffas

Abstract:

First principles study of structural, elastic, electronic and optical properties of the monoclinic perovskite type ScRhO₃ has been reported using the pseudo-potential plane wave method within the local density approximation. The calculated lattice parameters, including the lattice constants and angle β, are in excellent agreement with the available experimental data, which proving the reliability of the chosen theoretical approach. Pressure dependence up to 20 GPa of the single crystal and polycrystalline elastic constants has been investigated in details using the strain-stress approach. The mechanical stability, ductility, average elastic wave velocity, Debye temperature and elastic anisotropy were also assessed. Electronic band structure and density of states (DOS) demonstrated its semiconducting nature showing a direct band gap of 1.38 eV. Furthermore, several optical properties, such as absorption coefficient, reflectivity, refractive index, dielectric function, optical conductivity and electron energy loss function, have been calculated for radiation up to 40 eV.

Keywords: ab-initio, perovskite, DFT, band gap

Procedia PDF Downloads 67
452 Graphene/h-BN Heterostructure Interconnects

Authors: Nikhil Jain, Yang Xu, Bin Yu

Abstract:

The material behavior of graphene, a single layer of carbon lattice, is extremely sensitive to its dielectric environment. We demonstrate improvement in electronic performance of graphene nanowire interconnects with full encapsulation by lattice-matching, chemically inert, 2D layered insulator hexagonal boron nitride (h- BN). A novel layer-based transfer technique is developed to construct the h-BN/MLG/h-BN heterostructures. The encapsulated graphene wires are characterized and compared with that on SiO2 or h-BN substrate without passivating h-BN layer. Significant improvements in maximum current-carrying density, breakdown threshold, and power density in encapsulated graphene wires are observed. These critical improvements are achieved without compromising the carrier transport characteristics in graphene. Furthermore, graphene wires exhibit electrical behavior less insensitive to ambient conditions, as compared with the non-passivated ones. Overall, h-BN/graphene/h- BN heterostructure presents a robust material platform towards the implementation of high-speed carbon-based interconnects.

Keywords: two-dimensional nanosheet, graphene, hexagonal boron nitride, heterostructure, interconnects

Procedia PDF Downloads 307
451 Architecture Performance-Related Design Based on Graphic Parameterization

Authors: Wenzhe Li, Xiaoyu Ying, Grace Ding

Abstract:

Architecture plane form is an important consideration in the design of green buildings due to its significant impact on energy performance. The most effective method to consider energy performance in the early design stages is parametric modelling. This paper presents a methodology to program plane forms using MATLAB language, generating 16 kinds of plane forms by changing four designed parameters. DesignBuilder (an energy consumption simulation software) was proposed to simulate the energy consumption of the generated planes. A regression mathematical model was established to study the relationship between the plane forms and their energy consumption. The main finding of the study suggested that there was a cubic function relationship between the depth-ratio of U-shaped buildings and energy consumption, and there is also a cubic function relationship between the width-ratio and energy consumption. In the design, the depth-ratio of U-shaped buildings should not be less than 2.5, and the width-ratio should not be less than 2.

Keywords: graphic parameterization, green building design, mathematical model, plane form

Procedia PDF Downloads 140
450 Reliability Analysis of Construction Schedule Plan Based on Building Information Modelling

Authors: Lu Ren, You-Liang Fang, Yan-Gang Zhao

Abstract:

In recent years, the application of BIM (Building Information Modelling) to construction schedule plan has been the focus of more and more researchers. In order to assess the reasonable level of the BIM-based construction schedule plan, that is whether the schedule can be completed on time, some researchers have introduced reliability theory to evaluate. In the process of evaluation, the uncertain factors affecting the construction schedule plan are regarded as random variables, and probability distributions of the random variables are assumed to be normal distribution, which is determined using two parameters evaluated from the mean and standard deviation of statistical data. However, in practical engineering, most of the uncertain influence factors are not normal random variables. So the evaluation results of the construction schedule plan will be unreasonable under the assumption that probability distributions of random variables submitted to the normal distribution. Therefore, in order to get a more reasonable evaluation result, it is necessary to describe the distribution of random variables more comprehensively. For this purpose, cubic normal distribution is introduced in this paper to describe the distribution of arbitrary random variables, which is determined by the first four moments (mean, standard deviation, skewness and kurtosis). In this paper, building the BIM model firstly according to the design messages of the structure and making the construction schedule plan based on BIM, then the cubic normal distribution is used to describe the distribution of the random variables due to the collecting statistical data of the random factors influencing construction schedule plan. Next the reliability analysis of the construction schedule plan based on BIM can be carried out more reasonably. Finally, the more accurate evaluation results can be given providing reference for the implementation of the actual construction schedule plan. In the last part of this paper, the more efficiency and accuracy of the proposed methodology for the reliability analysis of the construction schedule plan based on BIM are conducted through practical engineering case.

Keywords: BIM, construction schedule plan, cubic normal distribution, reliability analysis

Procedia PDF Downloads 128
449 Theoretical Investigation of the Structural, Electronic, Optical and Elastic Properties of the Perovskite ScRhO₃

Authors: L. Foudia, K. Haddadi, M. Reffas

Abstract:

First principles study of structural, elastic, electronic and optical properties of the monoclinic perovskite type ScRhO₃ has been reported using the pseudo-potential plane wave method within the local density approximation. The calculated lattice parameters, including the lattice constants and angle β are in excellent agreement with the available experimental data, which proving the reliability of the chosen theoretical approach. Pressure dependence up to 20 GPa of the single crystal and polycrystalline elastic constants has been investigated in details using the strain-stress approach. The mechanical stability, ductility, average elastic wave velocity, Debye temperature and elastic anisotropy were also assessed. Electronic band structure and density of states (DOS) demonstrated its semiconducting nature showing a direct band gap of 1.38 eV. Furthermore, several optical properties, such as absorption coefficient, reflectivity, refractive index, dielectric function, optical conductivity and electron energy loss function have been calculated for radiation up to 40 eV.

Keywords: ab-initio, perovskite, DFT, band gap.

Procedia PDF Downloads 60
448 Ab Initio Study of Structural, Elastic, Electronic and Thermal Properties of Full Heusler

Authors: M. Khalfa, H. Khachai, F. Chiker, K. Bougherara, R. Khenata, G. Murtaza, M. Harmel

Abstract:

A theoretical study of structural, elastic, electronic and thermodynamic properties of Fe2VX, (with X = Al and Ga), were studied by means of the full-relativistic version of the full-potential augmented plane wave plus local orbitals method. For exchange and correlation potential we used both generalized-gradient approximation (GGA) and local-density approximation (LDA). Our calculated ground state properties like as lattice constants, bulk modulus and elastic constants appear more accurate when we employed the GGA rather than the LDA approximation, and these results agree very well with the available experimental and theoretical data. Further, prediction of the thermal effects on some macroscopic properties of Fe2VAl and Fe2VGa are given in this paper using the quasi-harmonic Debye model in which the lattice vibrations are taken into account. We have obtained successfully the variations of the primitive cell volume, volume expansion coefficient, heat capacities and Debye temperature with pressure and temperature in the ranges of 0–40 GPa and 0–1500 K.

Keywords: full Heusler, FP-LAPW, electronic properties, thermal properties

Procedia PDF Downloads 478
447 Two-Dimensional Nanostack Based On Chip Wiring

Authors: Nikhil Jain, Bin Yu

Abstract:

The material behavior of graphene, a single layer of carbon lattice, is extremely sensitive to its dielectric environment. We demonstrate improvement in electronic performance of graphene nanowire interconnects with full encapsulation by lattice-matching, chemically inert, 2D layered insulator hexagonal boron nitride (h-BN). A novel layer-based transfer technique is developed to construct the h-BN/MLG/h-BN heterostructures. The encapsulated graphene wires are characterized and compared with that on SiO2 or h-BN substrate without passivating h-BN layer. Significant improvements in maximum current-carrying density, breakdown threshold, and power density in encapsulated graphene wires are observed. These critical improvements are achieved without compromising the carrier transport characteristics in graphene. Furthermore, graphene wires exhibit electrical behavior less insensitive to ambient conditions, as compared with the non-passivated ones. Overall, h-BN/graphene/h-BN heterostructure presents a robust material platform towards the implementation of high-speed carbon-based interconnects.

Keywords: two-dimensional nanosheet, graphene, hexagonal boron nitride, heterostructure, interconnects

Procedia PDF Downloads 443
446 Solid Particles Transport and Deposition Prediction in a Turbulent Impinging Jet Using the Lattice Boltzmann Method and a Probabilistic Model on GPU

Authors: Ali Abdul Kadhim, Fue Lien

Abstract:

Solid particle distribution on an impingement surface has been simulated utilizing a graphical processing unit (GPU). In-house computational fluid dynamics (CFD) code has been developed to investigate a 3D turbulent impinging jet using the lattice Boltzmann method (LBM) in conjunction with large eddy simulation (LES) and the multiple relaxation time (MRT) models. This paper proposed an improvement in the LBM-cellular automata (LBM-CA) probabilistic method. In the current model, the fluid flow utilizes the D3Q19 lattice, while the particle model employs the D3Q27 lattice. The particle numbers are defined at the same regular LBM nodes, and transport of particles from one node to its neighboring nodes are determined in accordance with the particle bulk density and velocity by considering all the external forces. The previous models distribute particles at each time step without considering the local velocity and the number of particles at each node. The present model overcomes the deficiencies of the previous LBM-CA models and, therefore, can better capture the dynamic interaction between particles and the surrounding turbulent flow field. Despite the increasing popularity of LBM-MRT-CA model in simulating complex multiphase fluid flows, this approach is still expensive in term of memory size and computational time required to perform 3D simulations. To improve the throughput of each simulation, a single GeForce GTX TITAN X GPU is used in the present work. The CUDA parallel programming platform and the CuRAND library are utilized to form an efficient LBM-CA algorithm. The methodology was first validated against a benchmark test case involving particle deposition on a square cylinder confined in a duct. The flow was unsteady and laminar at Re=200 (Re is the Reynolds number), and simulations were conducted for different Stokes numbers. The present LBM solutions agree well with other results available in the open literature. The GPU code was then used to simulate the particle transport and deposition in a turbulent impinging jet at Re=10,000. The simulations were conducted for L/D=2,4 and 6, where L is the nozzle-to-surface distance and D is the jet diameter. The effect of changing the Stokes number on the particle deposition profile was studied at different L/D ratios. For comparative studies, another in-house serial CPU code was also developed, coupling LBM with the classical Lagrangian particle dispersion model. Agreement between results obtained with LBM-CA and LBM-Lagrangian models and the experimental data is generally good. The present GPU approach achieves a speedup ratio of about 350 against the serial code running on a single CPU.

Keywords: CUDA, GPU parallel programming, LES, lattice Boltzmann method, MRT, multi-phase flow, probabilistic model

Procedia PDF Downloads 195
445 Ferroelectricity in Fused Potassium Nitrate-Polymer Composite Films

Authors: Navneet Dabra, Baljinder Kaur, Lakhbir Singh, V. Annapu Reddy, R. Nath, Dae-Yong Jeong, Jasbir S. Hundal

Abstract:

The ferroelectric properties of fused potassium nitrate (KNO3)- polyvinyl alcohol (PVA) composite films have been investigated. The composite films of KNO3-PVA have been prepared by solvant cast technique and then fused over the brass substrate. The ferroelectric hysteresis loops (P-E) have been obtained at room temperature using modified Sawyer-Tower circuit. Percentage of back switching and differential dielectric constant has been derived from P-V loops. The x-ray diffraction (XRD) studies confirm the formation of ferroelectric phase (phase III) in these composite films. The AFM and FE-SEM studies have been used to study the surface morphology of these composite films. The values of remanemt polarization, coercive field, back switching, crystallite size, lattice parameters, and surface roughness have been estimated and correlated.

Keywords: ferroelectric polymer composite, remanemt polarization, back switching, crystallite size, lattice parameters and surface roughness

Procedia PDF Downloads 384
444 Analysis of Path Nonparametric Truncated Spline Maximum Cubic Order in Farmers Loyalty Modeling

Authors: Adji Achmad Rinaldo Fernandes

Abstract:

Path analysis tests the relationship between variables through cause and effect. Before conducting further tests on path analysis, the assumption of linearity must be met. If the shape of the relationship is not linear and the shape of the curve is unknown, then use a nonparametric approach, one of which is a truncated spline. The purpose of this study is to estimate the function and get the best model on the nonparametric truncated spline path of linear, quadratic, and cubic orders with 1 and 2-knot points and determine the significance of the best function estimator in modeling farmer loyalty through the jackknife resampling method. This study uses secondary data through questionnaires to farmers in Sumbawa Regency who use SP-36 subsidized fertilizer products as many as 100 respondents. Based on the results of the analysis, it is known that the best-truncated spline nonparametric path model is the quadratic order of 2 knots with a coefficient of determination of 85.50%; the significance of the best-truncated spline nonparametric path estimator shows that all exogenous variables have a significant effect on endogenous variables.

Keywords: nonparametric path analysis, farmer loyalty, jackknife resampling, truncated spline

Procedia PDF Downloads 30
443 Aeroelastic Analysis of Nonlinear All-Movable Fin with Freeplay in Low-Speed

Authors: Laith K. Abbas, Xiaoting Rui, Pier Marzocca

Abstract:

Aerospace systems, generally speaking, are inherently nonlinear. These nonlinearities may modify the behavior of the system. However, nonlinearities in an aeroelastic system can be divided into structural and aerodynamic. Structural nonlinearities can be subdivided into distributed and concentrated ones. Distributed nonlinearities are spread over the whole structure representing the characteristic of materials and large motions. Concentrated nonlinearities act locally, representing loose of attachments, worn hinges of control surfaces, and the presence of external stores. The concentrated nonlinearities can be approximated by one of the classical structural nonlinearities, namely, cubic, free-play and hysteresis, or by a combination of these, for example, a free-play and a cubic one. Compressibility, aerodynamic heating, separated flows and turbulence effects are important aspects that result in nonlinear aerodynamic behavior. An issue related to the low-speed flutter and its catastrophic/benign character represented by Limit Cycle Oscillation (LCO) of all-movable fin, as well to their control is addressed in the present work. To the approach of this issue: (1) Quasi-Steady (QS) Theory and Computational Fluid Dynamics (CFD) of subsonic flow are implemented, (2) Flutter motion equations of a two-dimensional typical section with cubic nonlinear stiffness in the pitching direction and free play gap are established, (3) Uncoupled bending/torsion frequencies of the selected fin are computed using recently developed Transfer Matrix Method of Multibody System Dynamics (MSTMM), and (4) Time simulations are carried out to study the bifurcation behavior of the aeroelastic system. The main objective of this study is to investigate how the LCO and chaotic behavior are influenced by the coupled aeroelastic nonlinearities and intend to implement a control capability enabling one to control both the flutter boundary and its character. By this way, it may expand the operational envelop of the aerospace vehicle without failure.

Keywords: aeroelasticity, CFD, MSTMM, flutter, freeplay, fin

Procedia PDF Downloads 360
442 Ferromagnetic Potts Models with Multi Site Interaction

Authors: Nir Schreiber, Reuven Cohen, Simi Haber

Abstract:

The Potts model has been widely explored in the literature for the last few decades. While many analytical and numerical results concern with the traditional two site interaction model in various geometries and dimensions, little is yet known about models where more than two spins simultaneously interact. We consider a ferromagnetic four site interaction Potts model on the square lattice (FFPS), where the four spins reside in the corners of an elementary square. Each spin can take an integer value 1,2,...,q. We write the partition function as a sum over clusters consisting of monochromatic faces. When the number of faces becomes large, tracing out spin configurations is equivalent to enumerating large lattice animals. It is known that the asymptotic number of animals with k faces is governed by λᵏ, with λ ≈ 4.0626. Based on this observation, systems with q < 4 and q > 4 exhibit a second and first order phase transitions, respectively. The transition nature of the q = 4 case is borderline. For any q, a critical giant component (GC) is formed. In the finite order case, GC is simple, while it is fractal when the transition is continuous. Using simple equilibrium arguments, we obtain a (zero order) bound on the transition point. It is claimed that this bound should apply for other lattices as well. Next, taking into account higher order sites contributions, the critical bound becomes tighter. Moreover, for q > 4, if corrections due to contributions from small clusters are negligible in the thermodynamic limit, the improved bound should be exact. The improved bound is used to relate the critical point to the finite correlation length. Our analytical predictions are confirmed by an extensive numerical study of FFPS, using the Wang-Landau method. In particular, the q=4 marginal case is supported by a very ambiguous pseudo-critical finite size behavior.

Keywords: entropic sampling, lattice animals, phase transitions, Potts model

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441 Finding Related Scientific Documents Using Formal Concept Analysis

Authors: Nadeem Akhtar, Hira Javed

Abstract:

An important aspect of research is literature survey. Availability of a large amount of literature across different domains triggers the need for optimized systems which provide relevant literature to researchers. We propose a search system based on keywords for text documents. This experimental approach provides a hierarchical structure to the document corpus. The documents are labelled with keywords using KEA (Keyword Extraction Algorithm) and are automatically organized in a lattice structure using Formal Concept Analysis (FCA). This groups the semantically related documents together. The hierarchical structure, based on keywords gives out only those documents which precisely contain them. This approach open doors for multi-domain research. The documents across multiple domains which are indexed by similar keywords are grouped together. A hierarchical relationship between keywords is obtained. To signify the effectiveness of the approach, we have carried out the experiment and evaluation on Semeval-2010 Dataset. Results depict that the presented method is considerably successful in indexing of scientific papers.

Keywords: formal concept analysis, keyword extraction algorithm, scientific documents, lattice

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440 Microstructure and Mechanical Properties of Nb: Si: (a-C) Thin Films Prepared Using Balanced Magnetron Sputtering System

Authors: Sara Khamseh, Elahe Sharifi

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321 alloy steel is austenitic stainless steel with high oxidation resistance and is commonly used to fabricate heat exchangers and steam generators. However, the low hardness and weak tribological performance can cause dangerous failures during industrial operations. The well-designed protective coatings on 321 alloy steel surfaces with high hardness and good tribological performance can guarantee their safe applications. The surface protection of metal substrates using protective coatings showed high efficiency in prevailing these problems. Carbon-based multicomponent coatings, such as metal-added amorphous carbon coatings, are crucially necessary because of their remarkable mechanical and tribological performances. In the current study, (Nb: Si: a-C) multicomponent coatings (a-C: amorphous carbon) were coated on 321 alloys using a balanced magnetron (BM) sputtering system at room temperature. The effects of the Si/Nb ratio on microstructure, mechanical and tribological characteristics of (Nb: Si: a-C) composite coatings were investigated. The XRD and Raman analysis results showed that the coatings formed a composite structure of cubic diamond (C-D), NbC, and graphite-like carbon (GLC). The NbC phase's abundance decreased when the C-D phase's affluence increased with an increasing Si/Nb ratio. The coatings' indentation hardness and plasticity index (H³/E² ratio) increased with an increasing Si/Nb ratio. The better mechanical properties of the coatings with higher Si content can be attributed to the higher cubic diamond (C-D) content. The cubic diamond (C-D) is a challenging phase and can positively affect the mechanical performance of the coatings. It is well documented that in hard protective coatings, Si encourages amorphization. In addition, THE studies showed that Nb and Mo can act as a catalyst for nucleation and growth of hard cubic (C-D) and hexagonal (H-D) diamond phases in a-C coatings. In the current study, it seems that fully arranged nanocomposite coatings contain hard C-D and NbC phases that embedded in the amorphous carbon (GLC) phase is formed. This unique structure decreased grain boundary density and defects and resulted in high hardness and H³/E² ratio. Moreover, the COF and wear rate of the coatings decreased with increasing Si/Nb ratio. This can be attributed to the good mechanical properties of the coatings and the formation of graphite-like carbon (GLC) structure with lamellae arrangement in the coatings. The complex and self-lubricant coatings are successfully formed on the surface of 321 alloys. The results of the present study clarified that Si addition to (Nb: a-C) coatings improve the mechanical and tribological performance of the coatings on 321 alloy.

Keywords: COF, mechanical properties, microstructure, (Nb: Si: a-C) coatings, Wear rate

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439 Deformation Mechanisms of Mg-Based Composite Studied by Neutron Diffraction and Acoustic Emission

Authors: G. Farkas, K. Mathis, J. Pilch, P. Minarik

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Deformation mechanisms in an Mg-Al-Ca alloy reinforced with short alumina fibres were studied by acoustic emission and in-situ neutron diffraction method. The fibres plane orientation with respect to the loading axis was found to be a key parameter, which influences the acting deformation processes, such as twinning or dislocation slip. In-situ neutron diffraction tests were measured at different temperatures from room temperature (RT) to 200°C. The measurement shows the lattice strain changes in the matrix and also in the reinforcement phase depending on macroscopic compressive deformation and stress. In case of parallel fibre plane orientation, the increment of compressive lattice strain is lower in the matrix and higher in the fibres in comparison to perpendicular fibre orientation. Furthermore, acoustic emission results indicate a larger twinning activity and more frequent fibre cracking in sample with perpendicular fibre plane orientation. Both types of mechanisms are more dominant at elevated temperatures.

Keywords: neutron diffraction, acoustic emission, magnesium based composite, deformation mechanisms

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438 The Projections of Urban Climate Change Using Conformal Cubic Atmospheric Model in Bali, Indonesia

Authors: Laras Tursilowati, Bambang Siswanto

Abstract:

Urban climate change has short- and long-term implications for decision-makers in urban development. The problem for this important metropolitan regional of population and economic value is that there is very little usable information on climate change. Research about urban climate change has been carried out in Bali Indonesia by using Conformal Cubic Atmospheric Model (CCAM) that runs with Representative Concentration Pathway (RCP)4.5. The history data means average data from 1975 to 2005, climate projections with RCP4.5 scenario means average data from 2006 to 2099, and anomaly (urban climate change) is RCP4.5 minus history. The results are the history of temperature between 22.5-27.5 OC, and RCP4.5 between 25.5-29.5 OC. The temperature anomalies can be seen in most of northern Bali that increased by about 1.6 to 2.9 OC. There is a reduced humidity tendency (drier) in most parts of Bali, especially the northern part of Bali, while a small portion in the south increase moisture (wetter). The comfort index of Bali region in history is still relatively comfortable (20-26 OC), but on the condition RCP4.5 there is no comfortable area with index more than 26 OC (hot and dry). This research is expected to be useful to help the government make good urban planning.

Keywords: CCAM, comfort index, IPCC AR5, temperature, urban climate change

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437 The Use of Fractional Brownian Motion in the Generation of Bed Topography for Bodies of Water Coupled with the Lattice Boltzmann Method

Authors: Elysia Barker, Jian Guo Zhou, Ling Qian, Steve Decent

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A method of modelling topography used in the simulation of riverbeds is proposed in this paper, which removes the need for datapoints and measurements of physical terrain. While complex scans of the contours of a surface can be achieved with other methods, this requires specialised tools, which the proposed method overcomes by using fractional Brownian motion (FBM) as a basis to estimate the real surface within a 15% margin of error while attempting to optimise algorithmic efficiency. This removes the need for complex, expensive equipment and reduces resources spent modelling bed topography. This method also accounts for the change in topography over time due to erosion, sediment transport, and other external factors which could affect the topography of the ground by updating its parameters and generating a new bed. The lattice Boltzmann method (LBM) is used to simulate both stationary and steady flow cases in a side-by-side comparison over the generated bed topography using the proposed method and a test case taken from an external source. The method, if successful, will be incorporated into the current LBM program used in the testing phase, which will allow an automatic generation of topography for the given situation in future research, removing the need for bed data to be specified.

Keywords: bed topography, FBM, LBM, shallow water, simulations

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