• Title/Summary/Keyword: density approximation

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The Shape and Virial Theorem of a Star Cluster in the Galactic Tidal Force Field

  • Lee, See-Woo;Rood, Herbert J.
    • Journal of The Korean Astronomical Society
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    • v.2 no.1
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    • pp.1-9
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    • 1969
  • On the instantaneous tidal relaxation approximation, formulae are derived for the ellipticities and virial theorem of a slightly flattened homogeneous rotating cluster (the largest axis of the cluster is directed towards the Galactic center), in terms of the Galactic tidal force and the characteristic intrinsic plus orbital angular velocity. The expression for a purely tidally-determined ellipticity is identical to that for an incompressible fluid body of uniform density. Orbital motion generally contributes significantly to the shape of the cluster. The virial theorem is identical to that for an isolated cluster except that the gravitational potential energy is multiplied by (1-${\chi}$), where ${\chi}$ is a positive tidal correction term. To obtain the actual mass of a cluster, the virial theorem mass based on an isolated cluster should be multiplied by the factor 1/(1-${\chi}$). The formulae are applied to open star clusters, the globular cluster ${\omega}$ Centauri, and dwarf elliptical galaxies in the Local Group.

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HYBRIDIZATION EFFECTS IN $RT_2$ COMPOUNDS (R = Ce, Pr, Nd, Sm, Gd; T = Fe, Co, Ni)

  • Kang, Kicheon;Min, B.I.;Kang, J.S.
    • Journal of the Korean Magnetics Society
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    • v.5 no.5
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    • pp.376-379
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    • 1995
  • Employing the muffin-tin-orbital theory combined with pseudo-potential concepts, we have evaluated hybridization matrix elements between R and T sites in $RT_{2}$ compounds. The matrix elements are calculated with two parameters, the interatomic distance between R and T atoms from the crystal structure data, and the expectation values of the radial distances for the radial wave functions of the ground state charge densities, which are obtained from the linearized muffin-tin orbital band method within the local density approximation. It is found that the R 4f/T 3d hybridization matrix elements decrease with an increasing atomic number from R=Ce to Gd, and that they are smaller in $RNi_{2}$ than in $RCo_{2}$, which are consistent with trends observed in recent photoemission spectroscopy experiments. It is also found that the magnitudes of the hybridization matrix elements in $RFe_{2}$ are comparable to those in $RNi_{2}$.

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The First-principles Calculations on the Half-metallic Properties of (001) and (110) Surfaces of Zinc-blende YC

  • Bialek, Beata;Lee, Jae Il
    • Journal of Magnetics
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    • v.20 no.1
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    • pp.1-7
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    • 2015
  • We investigated the half-metallicity and magnetism at the (001) and (110) surfaces of YC in zinc-blende structure by using the all-electron full-potential linearized augmented plane wave method within the generalized gradient approximation. From the calculated local density of states, we found that neither (001) nor (110) surface preserves the half-metallicity. While the magnetic moment of Y atom in the YC bulk is $0.116{\mu}_B$, it is $0.057{\mu}_B$ at the topmost layer of Y-terminated (001) surface. On the contrary, C-terminated (001) YC surface exhibits stronger magnetism than the bulk structure; the calculated magnetic moment on topmost C atom is $1.084{\mu}_B$, while that of C atom in the bulk structure is $0.423{\mu}_B$. The magnetic properties of the non-polar (110) YC surface are slightly enhanced as compared with the bulk structure.

The Electronic Structures and Magnetism of Monolayer Fe on CuGaSe2(001)

  • Jin, Ying-Jiu;Lee, Jae-Il
    • Journal of Magnetics
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    • v.12 no.2
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    • pp.59-63
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    • 2007
  • Ferromagnet/Semiconductor heterostructures have attracted much attention because of their potential applications in spintronic devices. We investigated the electronic structures and magnetism of monolayer Fe on $CuGaSe_2(001)$ by using the all-electron full-potential linearized augmented plane-wave method within a generalized gradient approximation. We considered the monolayer Fe deposited on both the CuGa atoms terminated (CuGa-Term) and the Se atom terminated (Se-Term) surfaces of $CuGaSe_2(001)$. The calculated magnetic moment of the Fe atom on the CuGa-Term was about $2.90\;{{\mu}_B}$. Those of the Fe atoms on the Se-Term were in the range of $2.85-2.98\;{{\mu}_B}$. The different magnetic behaviors of the Fe atoms on two different surfaces were discussed using the calculated layer-projected density of states.

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.

Electronic and Magnetic Structures of Ba2MReO6 (M=Mn, Fe, Co, and Ni)

  • Park, J.H.;Kwon, S.K.;Min, B.I.
    • Journal of Magnetics
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    • v.12 no.2
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    • pp.64-67
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    • 2007
  • Electronic structures of ordered double perovskites $Ba_2MReO_6$ (M=Mn, Fe, Co, and Ni) are investigated by using the linearized muffin-tin orbitals band method in the local spin-density approximation (LSDA) and the LSDA+U method. The half-metallic ferrimagnetic ground states are obtained for M=Fe and Ni in the LSDA+U, whereas the insulating ground state is obtained for M=Mn in the LSDA+U incorporating the spinorbit interaction. For M= Co, the antiferromagnetic ground state is stabilized in the LSDA+U by invoking the structural distortion.

Numerical Analysis on Combined Convection for a Vertical Cocentric Cylinder with External Fins (외부로 휜이 있는 수직이중관내의 조합대류 유동에 관한 수치적 연구)

  • Sohn, Sang-Suk;Lee, Chae-Moon;Yim, Jang-Soon
    • The Magazine of the Society of Air-Conditioning and Refrigerating Engineers of Korea
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    • v.14 no.2
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    • pp.118-124
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    • 1985
  • The motion of a fluid in the closed annular cavity formed by two concentric vertical cylinders with externally finned tube has been analysed by a numerical solutions of the equation of momentum and energy. For the calculation procedure, the fluid is assumed to have constant thermo-dynamic and transporties except for the density, which is temperature-dependent in the buoyancy term of the vertical momentum equation (Boussinesq approximation). The govern ins equations for velocity and temperature are solved by a finite difference technique which incoorporates a scheme for treating the coupled variables. Results are presented for a range of the Rayleigh number and for various values of the fin height and the number of fins.

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Treatment of non-resonant spatial self-shielding effect of double heterogeneous region

  • Tae Young Han;Hyun Chul Lee
    • Nuclear Engineering and Technology
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    • v.55 no.2
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    • pp.749-755
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    • 2023
  • A new approximation method was proposed for treating the non-resonant spatial self-shielding effects of double heterogeneous region such as the double heterogeneous effect of VHTR fuel compact in the thermal energy range and that of BP compact with BISO. The method was developed based on the effective homogenization method and a spherical unit cell model with explicit coated layers and a matrix layer. The self-shielding factor was derived from the relation between the collision probabilities for a double heterogeneous compact and the effective cross section for the homogenized compact. First, the collision probabilities and transmission probabilities for all layers of the spherical model were calculated using conventional collision probability solver. Then, the effective cross section for the homogenized sphere cell representing the homogenized compact was obtained from the transmission probability calculated using the probability density function of a chord length. The verification calculations revealed that the proposed method can predict the self-shielding factor with a maximum error of 2.3% and the double heterogeneous effect with a maximum error of 200 pcm in the typical VHTR problems with various packing fractions and BP compact sizes.

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.

Time Dependent Interaction between Electromagnetic Wave and Dielectric Barrier Discharge Plasma Using Fluid Model (유체 모델을 이용한 유전체 장벽 방전 플라즈마와 전자기파 간의 시간 의존적 상호 작용 분석)

  • Kim, Yuna;Oh, Il-Young;Jung, Inkyun;Hong, Yongjun;Yook, Jong-Gwan
    • The Journal of Korean Institute of Electromagnetic Engineering and Science
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    • v.25 no.8
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    • pp.857-863
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    • 2014
  • In determining interaction between plasma and electromagnetic wave, plasma frequency and collision frequency are two key parameters. They are derived from electron density and temperature, which vary in an extremely wide range, depending on a plasma generator. Because the parameters are usually unknown, traditional researches have utilized simplified electron density model and constant electron temperature approximation. Introduction of plasma fluid model to electromagnetics is suggested to utilize relatively precise time dependent variables for given generator. Dielectric barrier discharge(DBD) generator is selected due to its simple geometry which allows us to use one dimensional analysis. Time dependent property is analyzed when microwave is launched toward parallel plate DBD plasma. Afterwards, attenuation tendency with the change of electron density and temperature is demonstrated.