• 제목/요약/키워드: dispersion correction

검색결과 64건 처리시간 0.027초

Assessment of the Performance of B2PLYP-D for Describing Intramolecular π-π and σ-π Interactions

  • Choi, Tae-Hoon;Han, Young-Kyu
    • Bulletin of the Korean Chemical Society
    • /
    • 제32권12호
    • /
    • pp.4195-4198
    • /
    • 2011
  • Intramolecular ${\pi}-{\pi}$ and ${\sigma}-{\pi}$ interactions are omnipresent for numerous energetic and structural phenomena in nature, and the exact description of these nonbonding interactions plays an important role in the accurate prediction of the three-dimensional structures for numerous interesting molecular systems such as protein folding and polymer shaping. We have selected two prototype molecular systems for benchmarking calculations of intramolecular ${\pi}-{\pi}$ and ${\sigma}-{\pi}$ interactions. Accurately describing conformational energy of such systems requires highly elaborate but very expensive ab initio methods such as coupled cluster singles, doubles, and (triples) (CCSD(T)). Our calculations reveal a double hybrid density functional incorporating dispersion correction (B2PLYP-D) that agrees excellently with the CCSD(T) results, indicating that B2PLYP-D can serve as a practical method of choice.

초음파 전달함수의 위상보정을 위한 연구 (A Study on the Phase Correction of ultratrasound transfer function)

  • 민용기;이강호;최종수
    • 대한전기학회:학술대회논문집
    • /
    • 대한전기학회 1988년도 전기.전자공학 학술대회 논문집
    • /
    • pp.713-716
    • /
    • 1988
  • To characterize the bioloical tissues, the new methods to measure the frequency dependent attenuation are presented in this paper. In general, ultrasonic phase information was assumed by linear function of the frequency. But the minimum phase function which characterizes the frequency dispersion of tissue was derived in (2). It is very significant to measure the attenuation by using the minimum phase function to characterize the frequence dispersion of tissue. Also, we propose the phase correcting technique to take advantage of the idea that the distortion of amplitude component when the wave propagates through media.

  • PDF

Orbit Determination and Maneuver Planning for the KOMPSAT Spacecraft in Launch and Early Orbit Phase Operation

  • Lee, Byung-sun;Lee, Jeong-Sook;Won, Chang-Hee;Eun, Jong-Won;Lee, Ho-Jin
    • 제어로봇시스템학회:학술대회논문집
    • /
    • 제어로봇시스템학회 1999년도 제14차 학술회의논문집
    • /
    • pp.29-32
    • /
    • 1999
  • Korea Multi-Purpose SATellite(KOMPSAT) is scheduled to be launched by TAURUS launch vehicle in November, 1999. Tracking, Telemetry and Command(TT&C) operation and the flight dynamics support should be performed for the successful Launch and Early Orbit Phase(LEOP) operation. After the first contact of the KOMPSAT spacecraft, initial orbit determination using ground based tracking data should be performed for the acquisition of the orbit. Although the KOMPSAT is planned to be directly inserted into the Sun- synchronous orbit of 685 km altitude, the orbit maneuvers are required fur the correction of the launch vehicle dispersion. Flight dynamics support such as orbit determination and maneuver planning will be performed by using KOMPSAT Mission Analysis and Planning Subsystem(MAPS) in KOMPSAT Mission Control Element(MCE). The KOMPSAT MAPS have been jointly developed by Electronics and Telecommunications Research Institute(ETRI) and Hyundai Space & Aircraft Company(HYSA). The KOMPSAT MCE was installed in Korea Aerospace Research Institute(KARI) site for the KOMPSAT operation. In this paper, the orbit determination and maneuver planning are introduced and simulated for the KOMPSAT spacecraft in LEOP operation. Initial orbit determination using short arc tracking data and definitive orbit determination using multiple passes tracking data are performed. Orbit maneuvers for the altitude correction and inclination correction are planned for achieving the final mission orbit of the KOMPSAT.

  • PDF

IUE ARCHIVAL SPECTRA OF 31 CYGNI

  • Kang, Young-Woon
    • Journal of Astronomy and Space Sciences
    • /
    • 제8권1호
    • /
    • pp.53-61
    • /
    • 1991
  • UV light curve of 31 Cygni has been made from the IUE high dispersion specta. The depth of primary minimum of the light curve is 5.2 magnitudes because the B4 star's steep spectral gradient. The light curve has been analyzed by the method of Wilson and Devinney Differential Correction (WD). The radial velocities have been measured using the Mg II h lines. The spectroscopic elements have been determined by the method of WD. The change of the Mg II resonance doublet has been investigated based on the eight representative spectra taken at well distributed orbital phases.

  • PDF

지진해일 전파 모의를 위한 ADCIRC 유한요소모형의 분산보정 (Dispersion-Correction of ADCIRC Finite Element Model for the Simulation of Tsunami Propagation)

  • 윤성범;임채호;윤기승;최병호
    • 한국해안해양공학회:학술대회논문집
    • /
    • 한국해안해양공학회 2002년도 한국해안해양공학발표논문집 Proceedings of Coastal and Ocean Engineering in Korea
    • /
    • pp.287-293
    • /
    • 2002
  • 조석을 수치모의하기 위해 North carolina 대학의 R.A. Luettich와 Notre Dame 대학의 J.J. Westerink가 개발한 ADvanced CIRCulation model for oceanic, coastal and estuarine waters(ADCIRC) 유한요소모형 (Luettich, et al., 1992)은 수심 적분된 2 차원 모형(2DDI)과 3차원 모형(3DL)으로 구성되어 있는데, 그 중 2차원 ADCIRC 유한요소모형은 천수방정식에서 연속방정식과 운동방정식을 합성하여 수면변위에 대해 하나의 식으로 표현한 파동방정식(wave equation)을 지배방정식으로 사용하고 있다. (중략)

  • PDF

수심변화를 고려한 지진해일 전파 모의 수정기법 (Modified Dispersion-Correction Scheme on Variable Depth for Simulating Tsunami Propagation)

  • 하태민;김주영;이정규;조용식
    • 한국방재학회:학술대회논문집
    • /
    • 한국방재학회 2010년도 정기 학술발표대회
    • /
    • pp.65.2-65.2
    • /
    • 2010
  • 본 연구에서는 수심이 변화하는 지형에서 지진해일 전파를 수치모의하기 위해 기존의 분산보정기법을 개선하였다. 이를 위해 바닥경사를 고려한 지배방정식을 유도하고 기존의 분산보정기법에 새로운 항을 도입하여 수정기법을 제안하고 적용성을 검토해보았다. 수치모의 결과 새로운 수정기법이 기존의 분산보정기법에 비해 수심이 변화하는 지형에서 분산을 좀 더 정확하게 고려할 수 있는 것으로 나타났다.

  • PDF

용융 고분자간의 계면장력에 대한 이론적 예측 (Theoretical Estimation of Interfacial Tension between Molten Polymers)

  • 오영기;;전무식
    • 대한화학회지
    • /
    • 제23권4호
    • /
    • pp.210-216
    • /
    • 1979
  • 특성구조액체이론(significant structure theory of liquids)에 입각하여, 섞이지 않는 두 용융 고분자중에서의 계면장력을 예측하는 간단한 계산방법을 연구하였다. 접착에너지는 응집에너지들의 기하평균과 보정항의 곱으로 표시되며, 응집에너지는 고분자 사슬의 격자상을 가정하므로써 계산된다. 계면장력올 계산함에 있어서 고분자사슬의 구성요소간 분산력(dispersion force) 외에 극성력(poIar force)를 포함시켜야 함이 확인되었다.

  • PDF

A size-dependent quasi-3D model for wave dispersion analysis of FG nanoplates

  • Karami, Behrouz;Janghorban, Maziar;Shahsavari, Davood;Tounsi, Abdelouahed
    • Steel and Composite Structures
    • /
    • 제28권1호
    • /
    • pp.99-110
    • /
    • 2018
  • In this paper, a new size-dependent quasi-3D plate theory is presented for wave dispersion analysis of functionally graded nanoplates while resting on an elastic foundation and under the hygrothermaal environment. This quasi-3D plate theory considers both thickness stretching influences and shear deformation with the variations of displacements in the thickness direction as a parabolic function. Moreover, the stress-free boundary conditions on both sides of the plate are satisfied without using a shear correction factor. This theory includes five independent unknowns with results in only five governing equations. Size effects are obtained via a higher-order nonlocal strain gradient theory of elasticity. A variational approach is adopted to owning the governing equations employing Hamilton's principle. Solving analytically via Fourier series, these equations gives wave frequencies and phase velocities as a function of wave numbers. The validity of the present results is examined by comparing them with those of the known data in the literature. Parametric studies are conducted for material composition, size dependency, two parametric elastic foundation, temperature and moisture differences, and wave number. Some conclusions are drawn from the parametric studies with respect to the wave characteristics.