• Title/Summary/Keyword: Wave Approximation

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A First-principles Study on the Effects on Magnetism of Si Impurity in BCC Fe by Considering Spin-orbit Coupling (스핀-궤도 상호작용을 고려한 Si 불순물이 BCC Fe의 자성에 미치는 영향에 대한 제일원리연구)

  • Rahman, Gul;Kim, In-Gee;Chang, Sam-Kyu
    • Journal of the Korean Magnetics Society
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    • v.18 no.6
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    • pp.211-216
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    • 2008
  • The effects of Si impurity on electronic structures and magnetism of bcc Fe are investigated by using a first-principles method by considering spin-orbit coupling. In order to describe the Si impurity, a 27 atomic bcc Fe supercell has been considered. The Kohn-Sham equation was solved in terms of the all-electron full-potential linearized augmented plane wave (FLAPW) method within the generalized gradient approximation (GGA). The effects of spin-orbit coupling were calculated self-consistently by considering spin-diagonal terms based on second variation method. For the ferromagnetic (FM) state without considering SOC, the spin magnetic moment of the Si impurity was calculated to be $-0.143{\mu}B$, while the magnetic moments of Fe atoms were calculated to be $2.214{\mu}B$, $2.327{\mu}B$, and $2.354{\mu}B$ in away from the Si atom, respectively. However, the FM state with considering SOC, the spin magnetic moment of the Si impurity was calculated to be $-0.144{\mu}B$, which is not affected significantly by SOC, but the spin magnetic moments of Fe atoms were calculated $2.189{\mu}B$, $2.310{\mu}B$, and $2.325{\mu}B$, respectively, which are much reduced value compared to those of the FM state without SOC. Comparing the total charge density and spin density, those features are thought to be originated by the screening distortions of the Fe $t_{2g}$ orbital, which can be obtained by considering SOC.

Sound transmission of multi-layered micro-perforated plates in a cylindrical impedance tube (원통형 임피던스 튜브 내 다중 미세천공 판의 음향투과)

  • Kim, Hyun-Sil;Ma, Pyung-Sik;Kim, Bong-Ki;Lee, Seong-Hyun;Seo, Yun-Ho
    • The Journal of the Acoustical Society of Korea
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    • v.39 no.4
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    • pp.270-278
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    • 2020
  • In this paper, sound transmission of Micro-Perforated Plates (MPPs) installed in an impedance tube with a circular cross-section is described using an analytic method. Vibration of the plates is expressed in terms of an infinite series of modal functions, where modal function in the radial direction is given by the Bessel function. Under the plane wave assumption, a low frequency approximation is derived, and a formula for the sound transmission coefficient of multi-layered MPPs is presented using the transfer matrix method. The Sound Transmission Losses (STLs) of single and double MPPs are computed using the proposed method and compared with those done by the Finite Element Method (FEM), which shows an excellent agreement. As the perforation increases, the STL is degraded, since the STL becomes dominated by the perforation ratio rather than by vibration of the plate. The STL shows dips at natural frequencies as well as at the mass-spring-mass resonance frequency. The proposed model for the STL prediction in this study can be applied to an arbitrary number of MPPs, where each MPP may or may not have a perforation.

The Electronic Structure and Magnetism of bcc Rh(001) Surface (체심 입방구조 Rh(001) 표면의 전자구조와 자성)

  • Cho, L.H.;Bialek, B.;Lee, J.I.
    • Journal of the Korean Magnetics Society
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    • v.18 no.6
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    • pp.206-210
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    • 2008
  • According to the recent reports the bulk bcc Rh is ferromagnetic with a small difference of energy compared to paramagnetic state. In this study, the electronic structure and magnetism for bcc Rh(001) surface are investigated by means of the all-electron full potential linearized augmented plane wave method within the generalized gradient approximation. It is found that the surface ferromagnetic state is preferable over the paramagnetic one. For unrelaxed system, the magnetic moment of the surface layer, $0.48{\mu}B$, is slightly increased comparing with the bulk value, $0.41{\mu}B$ while the value of the subsurface layer, $0.23{\mu}B$, is much smaller than the bulk value. The total energy and atomic force calculations show that the surface layer is relaxed downward and the subsurface layer moves upward to reduce the layer distance between the surface and subsurface layers by 7.0 %. The relaxation effect leads to weakening the surface magnetic properties. Specifically, the value of the magnetic moment of the surface atom is decreased to $0.36{\mu}B$. Since the spin polarization of the subsurface layer is only $0.14{\mu}B$, it is concluded that the bcc Rh(001) surface is rather weakly ferromagnetic.

Uncoupled Solution Approach for treating Fluid-Structure Interaction due to the Near-field Underwater Explosion (근거리 수중폭발에 따른 유체-구조 상호작용 취급을 위한 비연성 해석방법)

  • Park, Jin-Won
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.20 no.10
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    • pp.125-132
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    • 2019
  • Because the water exposed to shock waves caused by an underwater explosion cannot withstand the appreciable tension induced by the change in both pressure and velocity, the surrounding water is cavitated. This cavitating water changes the transferring circumstance of the shock loading. Three phenomena contribute to hull-plate damage; initial shock loading and its interaction with the hull plate, local cavitation, and local cavitation closure then shock reloading. Because the main concern of this paper is local cavitation due to a near-field underwater explosion, the water surface and the waves reflected from the sea bottom were not considered. A set of governing equations for the structure and the fluid were derived. A simple one-dimensional infinite plate problem was considered to verify this uncoupled solution approach compared with the analytic solution, which is well known in this area of interest. The uncoupled solution approach herein would be useful for obtaining a relatively high level of accuracy despite its simplicity and high computational efficiency compared to the conventional coupled method. This paper will help improve the understanding of fluid-structure interaction phenomena and provide a schematic explanation of the practical problem.

Magnetism and Half-metallicity of Co2TiSn(001) Surfaces: A First-principles Study (Co2TiSn(001) 표면의 자성 및 반쪽금속성에 대한 제일원리연구)

  • Jin, Y.J.;Lee, J.I.
    • Journal of the Korean Magnetics Society
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    • v.18 no.4
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    • pp.131-135
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    • 2008
  • The electronic structures, magnetism, and half-metallicity of the full-Heusler $Co_2TiSn$(001) surfaces have been investigated by using the all-electron full-potential linearized augmented plane wave method within the generalized gradient approximation. We have considered both of the Co atoms terminated(Co-term) and the TiSn atoms terminated(TiSn-term) surfaces. From the calculated density of states, we found that the half-metallicity was destroyed at the surface of the Co-term, while the half-metallicity was retained at the TiSn-term. For the surface of the Co-term, due to the reduced coordination number the occupied minority d-states were shifted to high energy regions and that cross the Fermi level, thus destroy the surface half-metallicity. On the other hand the surface states at the surface of the TiSn-term were located just below the Fermi level, which reduces the minority spin-gap with respect to that of the center layer. The calculated magnetic moment of the surface Co atom for the Co-term was increased by 10 % to 1.16 ${\mu}_B$ with respect to that of the inner-layers, while the magnetic moment of the subsurface Co atom in the TiSn-term has almost same value of the innerlayers(1.03 ${\mu}_B$).