• Title/Summary/Keyword: theory lattice

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Correlation between Structures and Magnetism in Iron: Ferromagnetism and Antiferromagnetism

  • Lee, Dong-Kook;Hong, Soon-Cheol
    • Journal of Magnetics
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    • v.12 no.2
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    • pp.68-71
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    • 2007
  • Even a pure bulk Fe has a complicated magnetic phase and its magnetism is still needed to be clarified. In this study we investigated the magnetism of bcc and fcc bulk Fe with total energy calculations as functions of atomic volume. The full-potential linearized augmented plane wave method was adopted within a generalized gradient approximation. The ground state of bulk Fe is confirmed to be of ferromagnetic (FM) bcc. For fcc structured Fe an antiferromagnetic (AFM) state is more stable compared to FM states which exist as low spin and high spin states. The stable AFM states were found to accompany a tetragonal distortion, while the FM states remained in a cubic symmetry. At an expanded lattice constant a high spin FM state was calculated to be able to be stabilized with significant enhanced magnetic moment compared to the value of the ground state, bcc FM.

Image Processing and Deep Learning-based Defect Detection Theory for Sapphire Epi-Wafer in Green LED Manufacturing

  • Suk Ju Ko;Ji Woo Kim;Ji Su Woo;Sang Jeen Hong;Garam Kim
    • Journal of the Semiconductor & Display Technology
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    • v.22 no.2
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    • pp.81-86
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    • 2023
  • Recently, there has been an increased demand for light-emitting diode (LED) due to the growing emphasis on environmental protection. However, the use of GaN-based sapphire in LED manufacturing leads to the generation of defects, such as dislocations caused by lattice mismatch, which ultimately reduces the luminous efficiency of LEDs. Moreover, most inspections for LED semiconductors focus on evaluating the luminous efficiency after packaging. To address these challenges, this paper aims to detect defects at the wafer stage, which could potentially improve the manufacturing process and reduce costs. To achieve this, image processing and deep learning-based defect detection techniques for Sapphire Epi-Wafer used in Green LED manufacturing were developed and compared. Through performance evaluation of each algorithm, it was found that the deep learning approach outperformed the image processing approach in terms of detection accuracy and efficiency.

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Structural Study of Oxygen Vacancy in CaO Stabilized Cubic-HfO2 Using Density Functional Theory (Density Functional Theory를 이용한 CaO 안정화 Cubic-HfO2의 산소 공공 구조 연구)

  • Kim, Jong-Hoon;Kim, Dae-Hee;Lee, Byeong-Eon;Hwang, Jin-Ha;Kim, Yeong-Cheol
    • Korean Journal of Materials Research
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    • v.18 no.12
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    • pp.673-677
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    • 2008
  • Calcia (CaO) stabilized cubic-$HfO_2$ is studied by density functional theory (DFT) with generalized gradient approximation (GGA). When a Ca atom is substituted for a Hf atom, an oxygen vacancy is produced to satisfy the charge neutrality. The lattice parameter of a $2{\times}2{\times}2$ cubic $HfO_2$ supercell then increases by $0.02\;{\AA}$. The oxygen atoms closest to the oxygen vacancy are attracted to the vacancy as the vacancy is positive compared to the oxygen ion. When the oxygen vacancy is located at the site closest to the Ca atom, the total energy of $HfO_2$ reaches its minimum. The energy barriers for the migration of the oxygen vacancy were calculated. The energy barriers between the first and the second nearest sites, the second and the third nearest sites, and the third and fourth nearest sites are 0.2, 0.5, and 0.24 eV, respectively. The oxygen vacancies at the third and fourth nearest sites relative to the Ca atom represent the oxygen vacancies in undoped $HfO_2$. Therefore, the energy barrier for oxygen migration in the $HfO_2$ gate dielectric is 0.24 eV, which can explain the origin of gate dielectric leakage.

Flight Dynamics Analyses of a Propeller-Driven Airplane (I): Aerodynamic and Inertial Modeling of the Propeller

  • Kim, Chang-Joo;Kim, Sang Ho;Park, TaeSan;Park, Soo Hyung;Lee, Jae Woo;Ko, Joon Soo
    • International Journal of Aeronautical and Space Sciences
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    • v.15 no.4
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    • pp.345-355
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    • 2014
  • This paper focuses on aerodynamic and inertial modeling of the propeller for its applications in flight dynamics analyses of a propeller-driven airplane. Unsteady aerodynamic and inertial loads generated by the propeller are formulated using the blade element method, where the local velocity and acceleration vectors for each blade element are obtained from exact kinematic relations for general maneuvering conditions. Vortex theory is applied to obtain the flow velocities induced by the propeller wake, which are used in the computation of the aerodynamic forces and moments generated by the propeller and other aerodynamic surfaces. The vortex lattice method is adopted to obtain the induced velocity over the wing and empennage components and the related influence coefficients are computed, taking into account the propeller induced velocities by tracing the wake trajectory trailing from each of the propeller blades. Aerodynamic forces and moments of the fuselage and other aerodynamic surfaces are computed by using the wind tunnel database and applying strip theory to incorporate viscous flow effects. The propeller models proposed in this paper are applied to predict isolated propeller performances under steady flight conditions. Trimmed level forward and turn flights are analyzed to investigate the effects of the propeller on the flight characteristics of a propeller-driven light-sports airplane. Flight test results for a series of maneuvering flights using a scaled model are employed to run the flight dynamic analysis program for the proposed propeller models. The simulations are compared with the flight test results to validate the usefulness of the approach. The resultant good correlations between the two data sets shows the propeller models proposed in this paper can predict flight characteristics with good accuracy.

Static Aeroelastic Analysis of Hingeless Rotor System in Hover Using Free-Wake Method (자유후류기법을 이용한 무힌지 로터 시스템의 정지비행시 정적 공탄성 해석)

  • Yoo, Seung-Jae;Lim, In-Gyu;Lee, In;Kim, Do-Hyung;Kim, Doeg-Kwan
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.36 no.2
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    • pp.156-162
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    • 2008
  • The static aeroelastic analysis of composite hingeless rotor blades in hover was performed using free-wake method. Large deflection beam theory was applied to analyze blade motions as a one-dimension beam. Anisotropic beam theory was applied to perform a cross-sectional analysis for composite rotor blades. Aerodynamic loads were calculated through a three-dimensional aerodynamic model which is based on the unsteady vortex lattice method. The wake geometry in hover was described using a time-marching free-wake method. Numerical results of the steady-state deflections for the composite hingeless rotor blades were presented and compared with those results based on two-dimensional quasi-steady strip theory and prescribed wake method. It was shown that wakes affect the steady-state deflections.

First-principles Calculations of the Phonon Transport in Carbon Atomic Chains Based on Atomistic Green's Function Formalism

  • Kim, Hu Sung;Park, Min Kyu;Kim, Yong-Hoon
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.425.1-425.1
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    • 2014
  • Thermal transport in nanomaterials is not only scientifically interesting but also technological important for various future electronic, bio, and energy device applications. Among the various computation approaches to investigate lattice thermal transport phenomena in nanoscale, the atomistic nonequilibrium Green's function approach based on first-principles density functional theory calculations appeared as a promising method given the continued miniaturization of devices and the difficulty of developing classical force constants for novel nanoscale interfaces. Among the nanometerials, carbon atomic chains, namely the cumulene (all-doulble bonds, ${\cdots}C=C=C=C{\cdots}$) and polyyne (alternation of single and triple bonds, ${\cdots}C{\equiv}C-C{\equiv}C{\cdots}$) can be considered as the extream cases of interconnction materials for nanodevices. After the discovery and realization of carbon atomic chains, their electronic transport properties have been widely studied. For the thermal transport properties, however, there have been few literatures for this simple linear chain system. In this work, we first report on the development of a non-equilibrium Green's function theory-based computational tool for atomistic thermal transport calculations of nanojunctions. Using the developed tool, we investigated phonon dispersion and transmission properties of polyethylene (${\cdots}CH2-CH2-CH2-CH2{\cdots}$) and polyene (${\cdots}CH-CH-CH-CH{\cdots}$) structures as well as the cumulene and polyyne. The resulting phonon dispersion from polyethylene and polyene showed agreement with previous results. Compared to the cumulene, the gap was found near the ${\Gamma}$ point of the phonon dispersion of polyyne as the prediction of Peierls distortion, and this feature was reflected in the phonon transmission of polyyne. We also investigated the range of interatomic force interactions with increase in the size of the simulation system to check the convergence criteria. Compared to polyethylene and polyene, polyyne and cumulene showed spatially long-ranged force interactions. This is reflected on the differences in phonon transport caused by the delicate differences in electronic structure.

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Flutter Characteristics of a Morphing Flight Vehicle with Varying Inboard and Outboard Folding Angles

  • Shrestha, Pratik;Jeong, Min-Soo;Lee, In;Bae, Jae-Sung;Koo, Kyo-Nam
    • International Journal of Aeronautical and Space Sciences
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    • v.14 no.2
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    • pp.133-139
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    • 2013
  • Morphing aircraft capable of varying their wing form can operate efficiently at various flight conditions. However, radical morphing of the aircraft leads to increased structural complexities, resulting in occurrence of dynamic instabilities such as flutter, which can lead to catastrophic events. Therefore, it is of utmost importance to investigate and understand the changes in flutter characteristics of morphing wings, to ensure uncompromised safety and maximum reliability. In this paper, a study on the flutter characteristics of the folding wing type morphing concept is conducted, to examine the effect of changes in folding angles on the flutter speed and flutter frequency. The subsonic aerodynamic theory Doublet Lattice Method (DLM) and p-k method are used, to perform the flutter analysis in MSC.NASTRAN. The present baseline flutter characteristics correspond well with the results from previous study. Furthermore, enhancement of the flutter characteristics of an aluminum folding wing is proposed, by varying the outboard wing folding angle independently of the inboard wing folding angle. It is clearly found that the flutter characteristics are strongly influenced by changes in the inboard/outboard folding angles, and significant improvement in the flutter characteristics of a folding wing can be achieved, by varying its outboard wing folding angle.

THE FORMATION MECHANISM OF GROWN-IN DEFECTS IN CZ SILICON CRYSTALS BASED ON THERMAL GRADIENTS MEASURED BY THERMOCOUPLES NEAR GROWTH INTERFACES

  • Abe, Takao
    • Proceedings of the Korea Association of Crystal Growth Conference
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    • 1999.06a
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    • pp.187-207
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    • 1999
  • The thermal distributions near the growth interface of 150mm CZ crystals were measured by three thermocouples installed at the center, middle (half radius) and edge (10m from surface) of the crystals. The results show that larger growth rates produced smaller thermal gradients. This contradicts the widely used heat flux balance equation. Using this fact, it si confirmed in CZ crystals that the type of point defects created is determined by the value of the thermal gradient (G) near the interface during growth, as already reported for FZ crystals. Although depending on the growth systems the effective lengths of the thermal gradient for defect generation are varied, were defined the effective length as 10mm from the interface in this experiment. If the G is roughly smaller than 20C/cm, vacancy rich CZ crystals are produced. If G is larger than 25C/cm, the species of point defects changes dramatically from vacancies to interstitial. The experimental results which FZ and CZ crystals are detached from the melt show that growth interfaces are filled with vacancy. We propose that large G produces shrunk lattice spacing and in order to relax such lattice excess interstitial are necessary. Such interstitial recombine with vacancies which were generated at the growth interface, next occupy interstitial sites and residuals aggregate themselves to make stacking faults and dislocation loops during cooling. The shape of the growth interface is also determined by the distributions of G across the interface. That is, the small G and the large G in the center induce concave and convex interfaces to the melt, respectively.

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Modification of RFSP to Accommodate a True Two-Group Treatment

  • Bae, Chang-Joon;Kim, Bong-Ghi;Suk, Soo-Dong;D. Jenkins;B. Rouben
    • Proceedings of the Korean Nuclear Society Conference
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    • 1996.05a
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    • pp.185-190
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    • 1996
  • RFSP is a computer program to do fuel management calculations for CANDU reactors. Its main function is to calculate neutron flux and power distributions using two-energy-group, three dimensional neutron diffusion theory. However, up to now the treatment has not been true two-group but actually "one-and-half groups". In other words, the previous (1.5-group) version of RFSP lumps the fast fission term into the thermal fission term. This is based on the POWDERPUFS-V Westcott convention. Also, there is no up-scattering term or bundle power over cell flux (H1 factor) for the fast group. While POWDERPUFS-V provides only 1.5 group properties, true two-group cross sections for the design and analysis of CAUDU reactors can be obtained from WIMS-AECL. To treat the full two-group properties, the previous RFSP version was modified by adding the fast fission, up-scatter terms, and H1 factor. This two-group version of RFSP is a convenient tool to accept lattice properties from any advanced lattice code (e.g. WIMS-AECL DRAGON, HELIOS...) and to apply to advanced fuel cycles. In this study, the modification to implement the true two-group treatment was performed only in the subroutines of the *SIMULATE module of RFSP. This module is the appropriate one to modify first, since it is used for the tracking of reactor operating histories. The modified two-group RFSP was evaluated with true two-group cross sections from WIMS-AECL. Some tests were performed to verify the modified two-group RFSP and to evaluate the effects of fast fission and up-scatter for three core conditions and four cases corresponding to each condition. The comparisons show that the two-group results are quite reasonable and serve as a verification of the modifications made to RFSP. To assess the long-term impact of the full 2-group treatment, it is necessary to simulate a long period (several months) of reactor history. It will also be necessary to implement the full two-group treatment of reactivity devices and assess the reactivity-device worths.ce worths.

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Fluid-structure interaction system predicting both internal pore pressure and outside hydrodynamic pressure

  • Hadzalic, Emina;Ibrahimbegovic, Adnan;Dolarevic, Samir
    • Coupled systems mechanics
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    • v.7 no.6
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    • pp.649-668
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    • 2018
  • In this paper, we present a numerical model for fluid-structure interaction between structure built of porous media and acoustic fluid, which provides both pore pressure inside porous media and hydrodynamic pressures and hydrodynamic forces exerted on the upstream face of the structure in an unified manner and simplifies fluid-structure interaction problems. The first original feature of the proposed model concerns the structure built of saturated porous medium whose response is obtained with coupled discrete beam lattice model, which is based on Voronoi cell representation with cohesive links as linear elastic Timoshenko beam finite elements. The motion of the pore fluid is governed by Darcy's law, and the coupling between the solid phase and the pore fluid is introduced in the model through Biot's porous media theory. The pore pressure field is discretized with CST (Constant Strain Triangle) finite elements, which coincide with Delaunay triangles. By exploiting Hammer quadrature rule for numerical integration on CST elements, and duality property between Voronoi diagram and Delaunay triangulation, the numerical implementation of the coupling results with an additional pore pressure degree of freedom placed at each node of a Timoshenko beam finite element. The second original point of the model concerns the motion of the outside fluid which is modeled with mixed displacement/pressure based formulation. The chosen finite element representations of the structure response and the outside fluid motion ensures for the structure and fluid finite elements to be connected directly at the common nodes at the fluid-structure interface, because they share both the displacement and the pressure degrees of freedom. Numerical simulations presented in this paper show an excellent agreement between the numerically obtained results and the analytical solutions.