• Title/Summary/Keyword: orbital order

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On-Board Orbit Propagator and Orbit Data Compression for Lunar Explorer using B-spline

  • Lee, Junghyun;Choi, Sujin;Ko, Kwanghee
    • International Journal of Aeronautical and Space Sciences
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    • 제17권2호
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    • pp.240-252
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    • 2016
  • In this paper, an on-board orbit propagator and compressing trajectory method based on B-spline for a lunar explorer are proposed. An explorer should recognize its own orbit for a successful mission operation. Generally, orbit determination is periodically performed at the ground station, and the computed orbit information is subsequently uploaded to the explorer, which would generate a heavy workload for the ground station and the explorer. A high-performance computer at the ground station is employed to determine the orbit required for the explorer in the parking orbit of Earth. The method not only reduces the workload of the ground station and the explorer, but also increases the orbital prediction accuracy. Then, the data was compressed into coefficients within a given tolerance using B-spline. The compressed data is then transmitted to the explorer efficiently. The data compression is maximized using the proposed methods. The methods are compared with a fifth order polynomial regression method. The results show that the proposed method has the potential for expansion to various deep space probes.

Ab initio Studies on Acene Tetramers: Herringbone Structure

  • Park, Young-Hee;Yang, Ki-Yull;Kim, Yun-Hi;Kwon, Soon-Ki
    • Bulletin of the Korean Chemical Society
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    • 제28권8호
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    • pp.1358-1362
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    • 2007
  • The structures, energetics and transfer integrals of the acene tetramers up to pentacene are investigated with the ab initio molecular orbital method at the level of second-order Møller-Plesset perturbation theory (MP2). Calculated geometries for the herringbone-style structures found in the crystal structure were characterized as local minima, however the geometrical discrepancy between crystal and MP2 theoretical structure is reasonably small. The binding energy of pentacene tetramer was calculated up to 40 kcal/mol (MP2/6-31G(d)) and about 90 kcal/mol (MP2/aug-cc-pVDZ), and the latter seems to be too much overestimated. The tendency of the hole transfer integrals computed with ab initio MP2/3-21G(d) geometry is well agreement with those estimated with crystal structure with some discrepancy, and the gradual increment of the transfer integrals at the crystal geometry is attributed to mainly packing structure rather than the intrinsic property of acene such as a size of acene.

CO Adsorption on Mo(110) Studied Using Thermal Desorption Spectroscopy (TDS) and Ultraviolet Photoelectron Spectroscopy (UPS)

  • Yang, Taek-Seung;Jee, Hae-geun;Boo, Jin-Hyo;Kim, Young-Dok;Lee, Soon-Bo
    • Bulletin of the Korean Chemical Society
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    • 제30권6호
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    • pp.1353-1356
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    • 2009
  • This study examined the adsorption of CO on a Mo(110) surface by Thermal Desorption Spectroscopy (TDS) and synchrotron-radiation based photoemission spectroscopy (SRPES). CO desorption was observed at approximately 400 K ($\alpha$-CO) and > 900 K ($\beta$-CO). When CO was exposed to Mo(110) at 100 K, it showed a tilted structure at low CO coverage and a vertical structure after saturation of the tilted CO. After heating the CO-precovered sample to 900 K, a broad peak at 12 eV below the Fermi level was identified in the valence level spectra, which was assigned to either the 4$\sigma$-molecular orbital of CO, or 2s of dissociated carbon. TDS results of the $\beta$-CO showed a first order desorption. These results are in a good agreement with the observations of CO adsorption on W(110) surfaces.

스핀코팅법에 의해 제조되어진 Yttrium이 도핑된 ZnO 막의 특성 (Characterization of Yttrium Doped Zinc Oxide Thin Films Fabricated by Spin-coating Method)

  • 김현주;이동윤;송재성
    • 한국전기전자재료학회논문지
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    • 제19권5호
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    • pp.457-460
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    • 2006
  • Y doped zinc oxide (YZO) thin films were deposited on F doped $SnO_2$ (FTO) glass substrate by sol-gel method using the spin-coating system. A homogeneous and stable solution was prepared by dissolving acetate in the solution added diethanolamine as sol-gel stabilizer. YZO films were obtained after preheated on the hot-plate for 5minute before each coating; the number of coating was 3 times. After the coating of last step, annealing of YZO films performed at $450^{\circ}C$ for 30 minute. In order to confirming of a ultraviolet ray interruption and down-conversion effects, optical properties of YZO films, transmission spectrum and fluorescent spectrum were used. Also, for understanding the obtained results by experiment, the elestronic state of YZO was calculated using the density functional theory The results obtained by experiment were compared with calculated structure. The detail of electronic structure was obtained by the discrete variational Xa (DV-Xa) method, which is a sort of molecular orbital full potential method. The density of state and energy levels of dopant element were shown and discussed in association with optical properties.

Dual vascular free transverse rectus abdominis myocutaneous flap for hemifacial reconstruction in a vessel-depleted neck

  • Lee, Su-Hyun;You, Hi-Jin;Lee, Yun-Hwan;Kim, Deok-Woo
    • Archives of Plastic Surgery
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    • 제47권1호
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    • pp.88-91
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    • 2020
  • Cutaneous squamous cell carcinoma (SCC) is the second most common skin malignancy. This report describes the case of an unusual extensive SCC involving the whole hemiface, which required reconstruction with a combination of a dual vascular free transverse rectus abdominis muscle (TRAM) flap and a skin graft. A 79-year-old woman visited our hospital with multiple large ulcerated erythematous patches on her right hemiface, including the parieto-temporal scalp, bulbar and palpebral conjunctiva, cheek, and lip. A preliminary multifocal biopsy was performed in order to determine the resection margin, and the lesion was resected en bloc. Orbital exenteration was also performed. A free TRAM flap was harvested with preserved bilateral pedicles and was anastomosed with a single superior thyroidal vessel. The entire TRAM flap survived. The final pathological examination of the resected specimen confirmed that there was no regional nodal metastasis, perineural invasion, or lymphovascular involvement. The patient was observed for 6 months, and there was no evidence of local recurrence. Usage of a TRAM flap is appropriate for hemifacial reconstruction because the skin of the abdomen matches the color and pliability of the face. Furthermore, we found that the independent attachment of two extra-flap anastomoses to a single recipient vessel can safely result in survival of the flap.

Insertion of an Organic Hole Injection Layer for Inverted Organic Light-Emitting Devices

  • 박순미;김윤학;이연진;김정원
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2009년도 제38회 동계학술대회 초록집
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    • pp.379-379
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    • 2010
  • Recent technical advances in OLEDs (organic light emitting devices) requires more and more the improvement in low operation voltage, long lifetime, and high luminance efficiency. Inverted top emission OLEDs (ITOLED) appeared to overcome these problems. This evolved to operate better luminance efficiency from conventional OLEDs. First, it has large open area so to be brighter than conventional OLEDs. Also easy integration is possible with Si-based driving circuits for active matrix OLED. But, a proper buffer layer for carrier injection is needed in order to get a good performance. The buffer layer protects underlying organic materials against destructive particles during the electrode deposition and improves their charge transport efficiency by reducing the charge injection barrier. Hexaazatriphenylene-hexacarbonitrile (HAT-CN), a discoid organic molecule, has been used successfully in tandem OLEDs due to its high workfunction more than 6.1 eV. And it has the lowest unoccupied molecular orbital (LUMO) level near to Fermi level. So it plays like a strong electron acceptor. In this experiment, we measured energy level alignment and hole current density on inverted OLED structures for hole injection. The normal film structure of Al/NPB/ITO showed bad characteristics while the HAT-CN insertion between Al and NPB greatly improved hole current density. The behavior can be explained by charge generation at the HAT-CN/NPB interface and gap state formation at Al/HAT-CN interface, respectively. This result indicates that a proper organic buffer layer can be successfully utilized to enhance hole injection efficiency even with low work function Al anode.

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Theoretical Studies on the Gas-Phase Pyrolysis of Esters The effect of ${\alpha}$- and ${\beta}$-methylation of Ethyl Formates

  • Ikchoon Lee;Ok Ja Cha;Bon-Su Lee
    • Bulletin of the Korean Chemical Society
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    • 제11권1호
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    • pp.49-54
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    • 1990
  • The gas-phase thermolysis reactions of ${\alpha}$- and ${\beta}$-methylated ethyl formates, Y = $CH-X-CHR_1CH_2R_2$ where X = Y = O or S and $R_1\;=\;R_2$ = H or $CH_3$, are investigated theoretically using the AM1 method. The experimental reactivity order is reproduced correctly by AM1 in all cases. The thermolysis proceeds through a six-membered cyclic transition state conforming to a retro-ene reaction, which can be conveniently interpreted using the frontier orbital theory of three-species interactions. The methyl group substituted at $C_{\alpha}\;or\;C_{\beta}$ is shown to elevate the ${\pi}$-HOMO of the donor fragment (Y = C) and depress the ${\sigma}^{\ast}$-LUMO of the acceptor fragment ($C_{\beta}$-H), increasing the nucleophilicity of Y toward ${\beta}$-hydrogen which in turn increases the reactivity. The two bond breaking processes of the $C_{\alpha}$-X and $C_{\beta}$-H bonds are concerted but not synchronous so that the reaction takes place in two stages as Taylor suggested. The initial cleavage of $C_{\alpha}$-X is of little importance but the subsequent scission of $C_{\beta}$-H occurs in a rate determining stage.

Lone Pairs in the 1,3-Sigmatropic Group Rearrangements$^1$

  • 이익춘;조정기;이본수;오혁근
    • Bulletin of the Korean Chemical Society
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    • 제10권1호
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    • pp.60-66
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    • 1989
  • Semiempirical computations using the AM1 and MNDO methods were carried out in order to elucidate allowed mechanisms for 1,3-group(X) rearrangement processes with X = $BH_2$, $CH_3$, CN, F, $NH_2$, OH, Cl and SH. The reactivity of the group migration was largely controlled by the steric effect in the 4-membered ring transition state, an antarafacial process having a greater energy barrier due to a greater steric repulsion. For the groups with lone pair electrons, the participation of the lone pair orbital is found to ease the steric effect by enabling the FMO interation with highly polarizable, high lying, lone pair electrons at relatively distant range; the involvement of lone pairs in the transition state causes an alteration of the symmetry selection rule to that of a 6-electron system with an allowed 1,3-suprafacial migration in contrast to an allowed 1,3-antarafacial migration for a 4-electron system. Various stereoelectronic aspects were analysed in some detail.

Kinetics and Stereochemistry of CO Substitution Reactions of Half-Open Chromocene Carbonyls(Ⅱ) : Reactions of Cp$(\eta^{5}-2,4-Me_{2}C_{5}H_{5})$CrCO and Phosphines

  • Chung, Jong-Jae;Roh, Byung-Gill
    • Bulletin of the Korean Chemical Society
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    • 제14권6호
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    • pp.669-673
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    • 1993
  • The CO substitution reactions of the complex, $Cp(S-2,4-Me_2C_5H_5)CrCo$ with $PR_3(PR_3=PMePh_2,\;P(OCH_3)_3,\;PMe_2Ph)$ were investigated spectrophotometrically at various temperatures. From the reaction rates, it was suggested that the CO substitution reaction took place by first-order (dissociative) pathway. Activation parameters in decaline were ${\Delta}H^{\neq}\;=\;22.0\;kcal{\cdot}mol^{-1}$, ${\Delta}S^{\neq}=\;-3.8cal{\cdot}mol^{-1}{\cdot}K^{-1}$. Unusually low value of ${\Delta}S{\neq}$ suggests an ${\eta}^5-S{\to}{\eta}^5-U$ conversion of the pentadienyl ligand. This suggestion was confirmed by the Extended-Huckel molecular orbital (EHMO) calculations, which revealed that the total energy of $Cp(S-2,4-Me_2C_5H_5$)CrCO is about 0.42 kcal/mol more lower than that of $Cp(U-2,4-Me_2C_5H_5)CrCO$ and the energy of $[Cp(U-2,4-Me_2C_5H_5)Cr{\cdots}CO]^{\neq} $ transition state is about 2.43 kcal/mol lower than that of $[Cp(S-2,4-Me_2C_5H_5)Cr{\cdots}CO]^{\neq}$ transition state.

Analysis on Delta-Vs to Maintain Extremely Low Altitude on the Moon and Its Application to CubeSat Mission

  • Song, Young-Joo;Lee, Donghun;Kim, Young-Rok;Jin, Ho;Choi, Young-Jun
    • Journal of Astronomy and Space Sciences
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    • 제36권3호
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    • pp.213-223
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    • 2019
  • This paper analyzes delta-Vs to maintain an extremely low altitude on the Moon and investigates the possibilities of performing a CubeSat mission. To formulate the station-keeping (SK) problem at an extremely low altitude, current work has utilized real-flight performance proven software, the Systems Tool Kit Astrogator by Analytical Graphics Inc. With a high-fidelity force model, properties of SK maneuver delta-Vs to maintain an extremely low altitude are successfully derived with respect to different sets of reference orbits; of different altitudes as well as deadband limits. The effect of the degree and order selection of lunar gravitational harmonics on the overall SK maneuver strategy is also analyzed. Based on the derived SK maneuver delta-V costs, the possibilities of performing a CubeSat mission are analyzed with the expected mission lifetime by applying the current flight-proven miniaturized propulsion system performances. Moreover, the lunar surface coverage as well as the orbital characteristics of a candidate reference orbit are discussed. As a result, it is concluded that an approximately 15-kg class CubeSat could maintain an orbit (30-50 km reference altitude having ${\pm}10km$ deadband limits) around the Moon for 1-6 months and provide almost full coverage of the lunar surface.