• Title/Summary/Keyword: orbital order

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Molecular Orbital Calculation on the Conflguration of Hydroxyl Group in Hexagonal Hydroxyapatite

  • Chang, Myung-Chul
    • Journal of the Korean Ceramic Society
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    • v.42 no.5 s.276
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    • pp.304-307
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    • 2005
  • The possible configurations of hydroxyl group in hexagonal hydroxyapatite were identified through molecular orbital calculation. The molecular orbital interaction between O and H in hydroxyl column was analyzed using charge variation and Bond Overlap Population (BOP). We supposed 5 kinds of O-H bond configurations as cluster types of I, II, III, IV, and V. Mulliken's population analysis was applied to evaluate ionic charges of O, H, P, and Ca ions, and BOPs (Bond Overlap Populations) in order to discuss the bond strength change by the atomic arrangement. The stability of each O-H bond configuration was analyzed using bond overlap and ionic charge.

Evaluation of Corrosion Resistance of Ti-Zr-Nb-Pd Based Alloys for Biomedical applications by electron Theory (전자론에 의한 생체용 Ti-Zr-Nb-Pd계 합금의 내식성 평가)

  • Jung, Jong-Hyun;Sun, Gum-Ju
    • Journal of Technologic Dentistry
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    • v.26 no.1
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    • pp.35-40
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    • 2004
  • In order to understand alloying effects on the corrosion resistance of Ti-(10$\sim$20)%Zr-(2$\sim$8%)Nb-0.2%Pd alloys, Polarization curves were measured at 5%HCI solution. The results were interpreted in terms of two parameters obtained by the molecular orbital calculation ; one is the bond order($B_{\circ}$) and the other is the metal d-orbital level($M_{d}$). $B_{\circ}$ is a measure of the strength of covalent bonds between titanium and alloying elements. $M_{d}$ is correlative with the electronegativity of elements. It was found that increasing of Zr and Nb with higher $B_{\circ}$ values showed a lower critical anodic current density in the polarization curve and hence higher corrosion resistance. On the other hand, increasing of Zr and Nb with higher $M_{d}$ values showed a higher corrosion resistance.

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Orbital Elements Evolution Due to a Perturbing Body in an Inclined Elliptical Orbit

  • Rahoma, W.A
    • Journal of Astronomy and Space Sciences
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    • v.31 no.3
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    • pp.199-204
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    • 2014
  • This paper intends to highlight the effect of the third-body in an inclined orbit on a spacecraft orbiting the primary mass. To achieve this goal, a new origin of coordinate is introduced in the primary and the X-axis toward the node of the spacecraft. The disturbing function is expanded up to the second order using Legendre polynomials. A double-averaged analytical model is exploited to produce the evolutions of mean orbital elements as smooth curves.

A Molecular Orbital Study of the Electronic Structure and the Ring Inversion Process in$Cp_2TiS_3$ Complex

  • Sung Kwon Kang;Byeong Gak Ahn
    • Bulletin of the Korean Chemical Society
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    • v.15 no.8
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    • pp.658-662
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    • 1994
  • Ab initio and extended Huckel calculations have been applied to discuss the electronic structure, ring inversion barrier, and geometry of the $Cp_2TiS_3$ compound. The deformation of four membered ring in the planar geometry is originated from a second-order Jahn-Teller distortion due to the small energy gap between HOMO and LUMO on the basis of extended Huckel calculations. The puckered $C_s$ geometry is stabilized by the interaction of the $x^2-y^2$ metal orbital with the hybrid orbital in sulfur. Ab initio calculations have been carried out to explore the ring inversion process for the model $Cl_2TiS_3$ compound. We have optimized $C_s$ and $C_{2v}$ structures of the model compound at the RHF level. The energy barriers for the ring inversion are sensitive to the used basis set. With 4-31$G^*$ for the Cl and S ligands, the barriers are computed to be 8.41 kcal/mol at MP2 and 8.02 kcal/mol at MP4 level.

DEVELOPMENT OF SIMULATION TOOL FOR ORBITAL MOTION OF METEOROID STREAM PARTICLES (METEOROID STREAM 입자들의 궤도 운동 시뮬레이션 TOOL 개발)

  • 김방엽
    • Journal of Astronomy and Space Sciences
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    • v.17 no.1
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    • pp.107-116
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    • 2000
  • This paper presents the preliminary survey and simulation results of the prediction of Leonid stream's orbital motion. Based on the model survey on eject velocity and perturbation of meteoroid particles, a simulation program was developed and applied to orbital motion of Leonid stream. The Jones ejection distribution model was used to describe the particle's eject velocity and the orbital dynamic model includes perturbations of major planet's gravity. DE405 ephemeris file generated by Solar System Dynamics Group at Jet Propulsion Laboratory in NASA was used for the planet's ephemeris calculations. Solar radiation pressure were also considered in the simulation and 8th order Runge-Kutta algorithm was used a numerical integration method.

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Feasibility of Using Norad Orbital Elements for Pass Programming and Catalog Generation for High Resolution Satellite Images (고해상도 위성영상 촬영계획 수립 및 카탈로그 생성을 위한 NORAD 궤도 데이터의 이용 가능성 연구)

  • 신동석;김탁곤;곽성희;이영란
    • Korean Journal of Remote Sensing
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    • v.15 no.2
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    • pp.119-130
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    • 1999
  • At present, many ground stations all over the world are using NORAD orbit element data in order to track and communicate with Earth orbiting satellites. The North American Aerospace Defense Command (NORAD) observes thousands of Earth orbiting objects on daily basis and provides their orbital information via internet. The orbital data provided by NORAD, which is also called two line element (TLE) sets, allows ground stations to predict the time-varying positions of satellites accurately enough to communicate with the satellites. In order to complete the mission of a high resolution remote sensing satellite which requires very high positional determination and control accuracy, however, a mission control and tracking ground station is dedicated for the observation and positional determination of the satellite rather than using NORAD orbital sets. In the case of KITSAT-3, NORAD orbital elements are currently used for image acquisition planning and for the processing of acquired images due to the absence of a dedicated KITSAT-3 tracking ground system. In this paper, we tested and analyzed the accuracy of NORAD orbital elements and the appropriate prediction model to determine how accurately a satellite acquisites an image of the location of interest and how accurately a ground processing system can generate the catalog of the images.

Lagrangian Motion of Water Particles in Stokes Waves (스토우크스파에서의 수입자 운동)

  • Kim, Tae-In;Hwang, Im-Koo
    • Journal of Korean Society of Coastal and Ocean Engineers
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    • v.4 no.4
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    • pp.187-200
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    • 1992
  • A general scheme is developed to determine the Langrangian motions of water particles by the Eulerian velocity at their mean positions by using Taylor's theorem. Utilizing the Stokes finite-amplitude wave theory, the orbital motions and the mass transport velocity including the effects of higher-order wave components are determined. The fifth-order approximation of orbital motion gives very good predictions of actual water particle motion in Stokes fifth-order wave theory except near the free-surface. The fifth-order theory predicts the mass transport velocity less than that given by the existing second-order theory over the whole water depth.

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Preliminary Orbit Determination For A Small Satellite Mission Using GPS Receiver Data

  • Nagarajan, Narayanaswamy;Bavkir, Burhan;John, Ong Chuan Fu
    • Proceedings of the Korean Institute of Navigation and Port Research Conference
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    • v.1
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    • pp.141-144
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    • 2006
  • The deviations in the injection orbital parameters, resulting from launcher dispersions, need to be estimated and used for autonomous satellite operations. For the proposed small satellite mission of the university there will be two GPS receivers onboard the satellite to provide the instantaneous orbital state to the onboard data handling system. In order to meet the power requirements, the satellite will be sun-tracking whenever there is no imaging operation. For imaging activities, the satellite will be maneuvered to nadir-pointing mode. Due to such different modes of orientation the geometry for the GPS receivers will not be favorable at all times and there will be instances of poor geometry resulting in no output from the GPS receivers. Onboard the satellite, the orbital information should be continuously available for autonomous switching on/off of various subsystems. The paper presents the strategies to make use of small arcs of data from GPS receivers to compute the mean orbital parameters and use the updated orbital parameters to calculate the position and velocity whenever the same is not available from GPS receiver. Thus the navigation message from the GPS receiver, namely the position vector in Earth-Centered-Earth-Fixed (ECEF) frame, is used as measurements. As for estimation, two techniques - (1) batch least squares method, and (2) Kalman Filter method are used for orbit estimation (in real time). The performance of the onboard orbit estimation has been assessed based on hardware based multi-channel GPS Signal simulator. The results indicate good converge even with short arcs of data as the GPS navigation data are generally very accurate and the data rate is also fast (typically 1Hz).

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MONTE CARLO ANALYSIS FOR STATION ACQUISITION ERROR CORRECTION OF SATELLITE (인공위성의 위치획득 오차보정을 위한 몬테카를로 분석)

  • 김지영;최규홍
    • Journal of Astronomy and Space Sciences
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    • v.12 no.2
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    • pp.265-274
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    • 1995
  • The purpose of perigee kick motor firing is to place a satellite into transfer orbit and that of apogee kick motor firing is to place the satellite into geosynchonous orbit in order to increase the semi-major axis of the transfer orbit and reduce the inclination of the transfer orbit. Because apogee motor firing is always accompanied with injection errors, the satellite is not placed into geosynchonous orbit but into a near-geosynchonous orbit, also knows as a drift orbit. Thus, the orbital maneuver to correct drift orbit into gteosynchonous orbit is required, this maneuver is called the station acquisition. For reduction of expenditure and performance of mission, we estimate $\Delta$V budget and required fuel allowance for station acquisition. As the uncertainty of drift orbit by injection error of perigee and apogee kick motor firing prevents us from obtaining exact $\Delta$V budget, statistical Monte Carlo simulation technique is used in order to get optimal $\Delta$V budget and required fuel allowance with a probability of 99%. With respect to Korea satellite launched by Delta-2 launch vehicle in 1995, Monte Carlo analysis is used in order to get various orbital parameters, $\Delta$V budget and required fuel allowance for station acquisition with a probability of 99%.

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