• Title/Summary/Keyword: MO calculation

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GLOBAL MINIMA OF LEAST SQUARES CROSS VALIDATION FOR A SYMMETRIC POLYNOMIAL KEREL WITH FINITE SUPPORT

  • Jung, Kang-Mo;Kim, Byung-Chun
    • Journal of applied mathematics & informatics
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    • v.3 no.2
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    • pp.183-192
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    • 1996
  • The least squares cross validated bandwidth is the mini-mizer of the corss validation function for choosing the smooth parame-ter of a kernel density estimator. It is a completely automatic method but it requires inordinate amounts of computational time. We present a convenient formula for calculation of the cross validation function when the kernel function is a symmetric polynomial with finite sup-port. Also we suggest an algorithm for finding global minima of the crass validation function.

Analysis of Arbitrarily-Shaped Microstrip Antenna in Multi-Layered (다층 유전체에서 임의의 형상을 갖는 마이크로스트립 안테나의 해석)

  • Kim, Sang-Jin;Kim, Young-Sik;Cheon, Chang-Yul
    • Proceedings of the KIEE Conference
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    • 1998.07e
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    • pp.1821-1823
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    • 1998
  • In this paper, arbitrarily-shaped microstrip patch antenna in multi-layered is analyzed using spatial domain MoM. The triangular patch function is adopted here as the expansion function for planar arbitrarily-shaped microstrip. For example, an edge-fed rectangular patch antenna on a single-layered substrate is analyzed. The results show the agreement between the calculation and measurement.

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Efficient Approach to Thermal Modeling for IC Packages (효율적 수치해석기법을 이용한 반도체 페키지의 열방출 해석)

  • Seung Mo Kim;Choon Heung Lee
    • Journal of the Microelectronics and Packaging Society
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    • v.6 no.2
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    • pp.31-36
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    • 1999
  • An efficient method for thermal modeling of QFP is Proposed. Thermal measurement data are given to verify the method. In parallel with the experiment, an exact full 3-D model calculation is also provided. One fonds that there is an excellent agreement between validation data and the efficient model data.

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Semiempirical MO Calculation of Hetero Atom Three-Membered Ring Compounds (I) : N-Nitroso-aziridine, -oxaziridine, and -dioxaziridine

  • Hwang, Ki-Woon
    • Bulletin of the Korean Chemical Society
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    • v.11 no.5
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    • pp.422-426
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    • 1990
  • Fully optimized MNDO molecular orbital calculations are described for N-nitroso-aziridine (I), -oxaziridine (II), and -dioxaziridine (III). The ground state geometries show the nonplanar configuration around the imino nitrogen. The nitroso group rotational energy barriers are 3.25, 0.43 and 1.18 kcal/mol for I, II and III, respectively. Also the calculated aziridine ring inversion barriers are 3.98, 15.61 and 27.46 kcal/mol for I, II and III, respectively.

Study on the Convergency Improvement Method for the Saturation-Property Calculation of Multi-Component Hydrocarbon Systems (다성분 탄화수소혼합물 포화물성해석 수렴도 향상 연구)

  • Shin, Chang-Hoon;An, Seung-Hee;Lee, Jeong-Hwan;Sung, Won-Mo
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.34 no.10
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    • pp.947-955
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    • 2010
  • Most oil and gas reservoirs, which have some light hydrocarbon components, show sensitive phase behavior in response to changes in the composition of the internal fluid. When evaluating and developing plans for oil and gas fields, flash calculation, PVT analysis, and saturation-property calculation are necessary for analyzing reservoir characteristics and pipeline flows. In general, the determination of saturation properties such as dew point and bubble point is considered a difficult task because of the poor convergence of the calculation methods. In this study, several new initial-value-guessing methods and root-finding methods are proposed; parametric analysis were carried out to verify the improvement in convergence. Finally, these new ideas and methods were successfully applied to the new GUI based multi-phase behavior simulator.

Calculation of Pollutant Loadings from Stream Watershed Using Digital Elevation Model and Pollutant Load Unit Factors (발생부하원단위와 수치표고모형을 이용한 하천유역 오염부하량 산정)

  • Yang, Hong-Mo;Kim, Hyuk
    • Journal of the Korean Institute of Landscape Architecture
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    • v.29 no.1
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    • pp.22-31
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    • 2001
  • The purpose of this study is to compare calculated pollutant loadings using pollutant load unit factors and vector type coverage, and expected mean concentration(EMC) and raster type of digital elevation model(DEM). This study is also focusing on comparison of the advantages and the disadvantages of the two methods, and seeking for a method of calculation of pollutant loadings using DEM. Estimation of pollutant inputs using pollutant load unit factors has limitations in identifying seasonal variations of pollutant loadings. Seasonal changes of runoffs should be considered in the calculation of pollutant loadings from catchments into reservoirs. Evaluation of pollutant inputs using runoff-coefficient and EMC can overcome these drawbacks. Proper EMC and runoff-coefficient values for the Koeup stream catchments of the Koheung estuarine lake were drawn from review of related papers. Arc/Info was employed to establish database of spatial and attribute data of point and non-point pollutant sources and characteristics of the catchments. ArcView was used to calculate point and non-point pollutant loadings. Pollutant loads estimated with either unit factors-coverages, i.e., pollutant load unit factors and vector coverages f point sources and land use, or EMC and digital elevation mode(DEM) were compared with stream monitoring loads. We have found that some differences were shown between monitoring results and estimated loads by Unit Factors-Coverage and EMC-DEM. Monthly variations of pollutant loads evaluated with EMC-DEM were similar to those with monitoring result. The method using EMC-DEM can calculate accumulated flows and pollutant loads and can be utilized to identify stream networks. A future research on correcting the difference between vector type stream using flow direction grid and digitalizing vector type should be conducted in order to obtain more exact calculation of pollutant loadings.

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Spectroscopic Studies of trans-1,2-Bispyrazylethylene (트란스-1,2-비스피라질에틸렌에 대한 분광학적 연구)

  • Sang Chul Shim;Han-Young Kang
    • Journal of the Korean Chemical Society
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    • v.22 no.4
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    • pp.239-244
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    • 1978
  • Spectroscopic studies of trans-1,2-bispyrazylethylene (BPE), one of the stilbene analogues, were carried out. In normal UV spectra, a distinct $n{\rightarrow}{\pi}^*$ absorption band is missing because of a strong, nearly isoenergetic ${\pi}{\rightarrow}{\pi}^*$ absorption band. The second derivative and low temperature $(77^{\circ}K)$ UV absorption spectra were taken and $n{\rightarrow}{\pi}^*$ absorption band was identified by these methods. The transition energies of ${\pi}{\rightarrow}{\pi}^*$ transitions were calculated by Pariser-Parr-Pople (PPP)-SCF-CI MO method. The calculated values showed good agreement with the observed spectral data. Luminescence studies were also carried out at low temperature. From the fluorescence spectra, fluorescence polarization studies, and PPP-SCF-CI MO calculation, the fluorescent state was determined to be a singlet $({\pi},\;{\pi}^*)$ state. This conclusion is in good agreement with the results obtained from alkaline salt effects on the fluorescence of this compound.

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PMO Theory of Orbital Interaction (Ⅴ). ${\pi}$-${\pi}$ and ${\pi}^{\ast}$-${\pi}^{\ast}$ Orbital Interactions (궤도간 상호작용의 PMO 이론 (제5보). ${\pi}$-${\pi}$${\pi}^{\ast}$-${\pi}^{\ast}$ 궤도간 상호작용)

  • Ik Choon Lee;Ki Yull Yang;Nan Pyo Lee;Wang Ki Kim
    • Journal of the Korean Chemical Society
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    • v.29 no.1
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    • pp.23-30
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    • 1985
  • PMO expressions for ${\pi}^{\ast}$-${\pi}^{\ast}$ orbital interaction have been derived. Important differences between ${\pi}$-${\pi}$ and ${\pi}^{\ast}$-${\pi}^{\ast}$ interactions predicted by PMO expressions are : (ⅰ) energy splitting in ${\pi}^{\ast}$-${\pi}^{\ast}$ interaction will be greater than that in ${\pi}$-${\pi}$ interaction, (ⅱ) energy change due to interaction will be more destabilizing in ${\pi}^{\ast}$-${\pi}^{\ast}$ than in ${\pi}$-${\pi}$ interaction. These predictions were borne out in experimental data and in results of MO theoretical computations. It was pointed out that both STeO-3G and INDO-LCBO methods underestimate ${\pi}^{\ast}$-${\pi}^{\ast}$ orbital interaction and in order to estimate properly with MO theoretical calculation, use of split valence basis set is required.

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Experimental Methodology Development for SFR Subchannel Analysis Code Validation with 37-Rods Bundle (소듐냉각고속로 부수로 해석코드 검증을 위한 37봉다발 실험방법 개념 개발)

  • Euh, Dong-Jin;Chang, Seok-Kyu;Bae, Hwang;Kim, Seok;Kim, Hyung-Mo;Choi, Hae-Seob;Choi, Sun-Rock;Lee, Hyung-Yeon
    • The KSFM Journal of Fluid Machinery
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    • v.17 no.6
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    • pp.89-94
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    • 2014
  • The 4th generation SFR is being designed with a milestone of construction by 2028. It is important to understand the subchannel flow characteristics in fuel assembly through the experimental investigations and to estimate the calculation uncertainties for insuring the confidence of the design code calculation results. The friction coefficient and the mixing coefficient are selected as primary parameters. The two parameters are related to the flow distribution and diffusion. To identify the flow distribution, an iso-kinetic method was developed based on the previous study. For the mixing parameters, a wire mesh system and a laser induced fluorescence methods were developed in parallel. The measuring systems were adopted on 37 rod bundle test geometry, which was developed based on the Euler number scaling. A scaling method for a design of experimental facility and the experimental identification techniques for the flow distribution and mixing parameters were developed based on the measurement requirement.

NEW RESULTS TO BDD TRUNCATION METHOD FOR EFFICIENT TOP EVENT PROBABILITY CALCULATION

  • Mo, Yuchang;Zhong, Farong;Zhao, Xiangfu;Yang, Quansheng;Cui, Gang
    • Nuclear Engineering and Technology
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    • v.44 no.7
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    • pp.755-766
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    • 2012
  • A Binary Decision Diagram (BDD) is a graph-based data structure that calculates an exact top event probability (TEP). It has been a very difficult task to develop an efficient BDD algorithm that can solve a large problem since its memory consumption is very high. Recently, in order to solve a large reliability problem within limited computational resources, Jung presented an efficient method to maintain a small BDD size by a BDD truncation during a BDD calculation. In this paper, it is first identified that Jung's BDD truncation algorithm can be improved for a more practical use. Then, a more efficient truncation algorithm is proposed in this paper, which can generate truncated BDD with smaller size and approximate TEP with smaller truncation error. Empirical results showed this new algorithm uses slightly less running time and slightly more storage usage than Jung's algorithm. It was also found, that designing a truncation algorithm with ideal features for every possible fault tree is very difficult, if not impossible. The so-called ideal features of this paper would be that with the decrease of truncation limits, the size of truncated BDD converges to the size of exact BDD, but should never be larger than exact BDD.