• Title/Summary/Keyword: orbital order

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Electronic state of LiNiO_2$ cathode materials for Li ion barriers (리튬 이차 전지로의 응용을 위한 LiNiO_2$ 양극 물질의 전자상태 연구)

  • 전영아;김양수;노광수
    • Proceedings of the Materials Research Society of Korea Conference
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    • 2003.11a
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    • pp.216-216
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    • 2003
  • The layered nickel oxides (LiNiO$_2$) have been studied for possible use as cathode materials i3l 4V lithium batteries. Although LiCoO$_2$ has been known as the best candidate material for Li-ion batteries, which produces the best performance LiNiO$_2$ is generally accepted as an attractive cathode material, because of its various advantages such as lower cost higher discharge capacity and better reversibility. In this investigation, we calculated the electric state of LiNiO$_2$ using DV-X$\alpha$ molecular orbital method in order to obtain the information of chemical bonding among the Li, Ni and O. In LiNiO$_2$, alternate layers of Li and Ni occupy the octahedral sites of a cubic close packing of oxide ions, making up a rhombohedral structure with an R-3m space group, Li in 3a, Ni in 3b, and O in 6c sites. On the basis of this, we made the cluster model and studied ionization of each atoms and interaction between atoms according to Mullilcen population analysis.

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THE SELECTION OF ALTITUDE AND INCLINATION FOR REMOTE SENSING SATELLITES (원격탐사 위성의 고도와 궤도기울기 결정)

  • 이정숙;이병선
    • Journal of Astronomy and Space Sciences
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    • v.12 no.2
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    • pp.244-255
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    • 1995
  • The success of a satellites mission is largely depended upon the choice of an appropriate orbit. In the case of a remote sensing satellite which observes the Earth, there exits an optimum solar elevation angle depending on the mission. Therefore a sun-synchronous orbit is suitable for a remote sensing mission. The second-order theory for secular perturbation due to non-symmetric geopotential was described. To design a sun-synchronous orbit, a constraint condition on regression of node was derived. A algorithm to determine the altitude and the inclination was introduced using this constraint condition. As practical examples, the altitudes and the inclinations of four remote sensing satellites were calculated. The ground tracks obtained by the orbit propagator were used to verify the resulting sun-synchronous orbital elements.

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UV LINE EMISSIONS OF 44i BOOTIS (44i BOO의 자외선 방출연구)

  • 한동주;김용기;한원용;이우백
    • Journal of Astronomy and Space Sciences
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    • v.15 no.2
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    • pp.335-340
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    • 1998
  • We obtained UV light curves of 44i Bootis, a W UMa type star from the IUE low dispersion spectra. In order to investigate variations of the emission lines from chromospheric activity and transition region, UV line intensity has been measured for CI, CII, ClV, SiIV, HeII lines. Through plotting the line intensity with the orbital phase, we found that emission lines showed maximum at $0^p.2;and;0^p.8$ of the light curves, indicating the chromospheric activity of contact binary, 44i Bootis. We found that the light curves of UV emission lines is strongly modulated by the variation of chromospheric activities of 44i Bootis.

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EFFECTS OF VELOCITY PARAMETERS OF THE WIND ON THE LINE FORMATION FOR 32 CYG (항성풍의 속도변수가 32 Cyg의 선윤곽에 미치는 효과)

  • 김경미;최규홍
    • Journal of Astronomy and Space Sciences
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    • v.16 no.2
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    • pp.255-264
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    • 1999
  • We calculate the theoretical line profiles in order to investigate the influence of various velocity parameters. Line profiles are calculated by using the exponential velocoty law with two acceleration regions for orbital phases $\phi$ = 0.07 and $\phi$ = 0.06. From this compttation we find that the influence of the wind velocity gradient on a giant star is more important in the region near the star than in the region away from the star. The observed lines show stronger emission than the calculated line profiles and we interpret the difference is caused by the inhomogeniety in the atmosphere of 32 Cyg.

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Residual Propellant Gauging Methods for Geostationary Satellites and Recent Technology Status (정지궤도위성의 잔여추진제량 측정방법 및 기술동향)

  • Park, Eungsik;Huh, Hwanil
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.42 no.10
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    • pp.870-877
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    • 2014
  • Geostationary satellites undergo various orbital perturbations and this results in location change. Therefore, all the geostationary satellites use the thruster in order to control the location change. For this purpose, the suitable amount of liquid propellant is mounted and the amount of propellant is reduced as time goes by. This means that the lifetime of the satellite depends on the residual propellant amount. Therefore precise residual propellant gauging is very important for the mitigation of economic losses arised from premature removal of satellite from its orbit, satellites replacement planning, slot management and so on. In this paper, we introduce the propellant gauging methods used in the geostationary satellites and the propellant gauging method studied in the laboratory level.

A study on the Standing Spin Wave Resonance of Ni-Fe Thin Films. (Ni-Fe 합금박막의 스핀파 공명 연구)

  • 백종성;서영수;김약연;임우영;이수형
    • Journal of the Korean Magnetics Society
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    • v.4 no.2
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    • pp.100-105
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    • 1994
  • Ni-Fe thin films are deposited on the corning glass substrate by means of RF magnetron sputtering system In order to investigate the dependence of the prorerties of Ni-Fe thin films on the film thickness, ferromagnetic reson¬ance spectrum has been examined. The effective magnetization $M_{eff}$ is constant for all samples, while the exchange stiffness constant A increases with the film thickness. A tendency that spectroscopic splitting factor g increases with the sample thickness, we expect that the increase of the contribution of the orbital motion to the magnetic moment as a reason for it.

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Desulfurization of Model Oil via Adsorption by Copper(II) Modified Bentonite

  • Yi, Dezhi;Huang, Huan;Li, Shi
    • Bulletin of the Korean Chemical Society
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    • v.34 no.3
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    • pp.777-782
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    • 2013
  • In order to further reduce the sulfur content in liquid hydrocarbon fuels, a desulfurization process by adsorption for removing dimethyl sulfide (DMS) and propylmercaptan (PM) was investigated. Bentonite adsorbents modified by $CuCl_2$ for the desulfurization of model oil was investigated. The results indicated that the modified bentonite adsorbents were effective for adsorption of DMS and PM. The bentonite adsorbents were characterized by X-ray diffraction (XRD) and thermal analysis (TGA). The acidity was measured by FT-IR spectroscopy. Several factors that influence the desulfurization capability, including loading and calcination temperature, were studied. The maximum sulfur adsorption capacity was obtained at a Cu(II) loading of 15 wt %, and the optimum calcination temperature was $150^{\circ}C$. Spectral shifts of the ${\nu}$(C-S) and ${\nu}$(Cu-S) vibrations of the complex compound obtained by the reaction of $CuCl_2$ and DMS were measured with the Raman spectrum. On the basis of complex adsorption reaction and hybrid orbital theory, the adsorption on modified bentonite occurred via multilayer intermolecular forces and S-M (${\sigma}$) bonds.

On the origin of Na-O anticorrelation in globular clusters

  • Kim, Jaeyeon;Lee, Young-Wook
    • The Bulletin of The Korean Astronomical Society
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    • v.42 no.1
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    • pp.49.1-49.1
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    • 2017
  • In order to investigate the origin of multiple stellar populations in the halo and bulge of the Milky Way, we have constructed chemical evolution models for the low-mass proto-Galactic subsystems such as globular clusters (GCs). Unlike previous studies, we assume that supernova blast waves undergo blowout without expelling the pre-enriched gas, while relatively slow winds of massive stars, together with the winds and ejecta from low and intermediate mass asymptotic giant branch stars, are all locally retained in these less massive systems. We first applied these models to investigate the origin of super-helium-rich red clump stars in the metal-rich bulge as recently suggested by Lee et al. (2015). We find that chemical enrichments by the winds of massive stars can naturally reproduce the required helium enhancement (dY/dZ = 6) for the second generation stars. Disruption of these "building blocks" in a hierarchical merging paradigm would have provided helium enhanced stars to the bulge field. Interestingly, we also find that the observed Na-O anticorrelation in metal-poor GCs can be reproduced, when multiple episodes of starbursts are allowed to continue in these subsystems. Specific star formation history with decreasing time intervals between the stellar generations, however, is required to obtain this result, as would be expected from the orbital evolution of these subsystems in a proto-Galaxy. The "mass budget problem" is also much alleviated by our models without ad-hoc assumptions on star formation efficiency and initial mass function.

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Computational Chemistry as a Key to Structural Bioinformatics

  • Kang, Young-Kee
    • Proceedings of the Korean Society for Bioinformatics Conference
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    • 2000.11a
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    • pp.32-34
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    • 2000
  • Computational chemistry is a discipline using computational methods for the calculation of molecular structure, properties, and reaction or for the simulation of molecular behavior. Relating and turning the complexity of data from genomics, high-throughput screening, combinatorial chemical synthesis, gene-expression investigations, pharmacogenomics, and proteomics into useful information and knowledge is the primary goal of bioinformatics. In particular, the structure-based molecular design is one of essential fields in bioinformatics and it can be called as structural bioinformatics. Therefore, the conformational analysis for proteins and peptides using the techniques of computational chemistry is expected to play a role in structural bioinformatics. There are two major computational methods for conformational analysis of proteins and peptides; one is the molecular orbital (MO) method and the other is the force field (or empirical potential function) method. The MO method can be classified into ab initio and semiempirical methods, which have been applied to relatively small and large molecules, respectively. However, the improvement in computer hardwares and softwares enables us to use the ab initio MO method for relatively larger biomolecules with up to v100 atoms or ∼800 basis functions. In order to show how computational chemistry can be used in structural bioinformatics, 1 will present on (1) cis-trans isomerization of proline dipeptide and its derivatives, (2) positional preference of proline in ${\alpha}$-helices, and (3) conformations and activities of Arg-Gly-Asp-containing tetrapeptides.

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A Theoretical Consideration on the Reactivities of the Prophin and Phthalocyanine Nucleus by the Simple Huckel Method (Porphin과 Phthalocyanine 核의 反應性에 對한 分子 軌道法的 考察)

  • Pack, Byung-Kak;Hong, Young-Suk
    • Journal of the Korean Chemical Society
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    • v.12 no.3
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    • pp.89-92
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    • 1968
  • A theoretical study was made on the energies of ${\pi}$ electrons and the reactivity of each atom of porphin nucleus and phthalocyanine nucleus in the ground states. The energy of each ${\pi}$ orbital, the superdelocalizabilities and the bond orders have been calculated by the simple Huckel method. With respect of these two compounds, results of the calculations have shown that the energy differences between highest occupied orbitals and lowest vacant orbitals are relatively less than those of other common organic compounds. This suggests that these two compounds will be easily excited. Then, by superdelocalizabilities and bond orders, the reactivities of electrophilic, nucleophilic and radical reactions and bond strenghs have been respectively considered.

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