• Title/Summary/Keyword: Semi-empirical calculation

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Study on slamming pressure calculation formula of plunging breaking wave on sloping sea dike

  • Yang, Xing
    • International Journal of Naval Architecture and Ocean Engineering
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    • v.9 no.4
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    • pp.439-445
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    • 2017
  • Plunging breaker slamming pressures on vertical or sloping sea dikes are one of the most severe and dangerous loads that sea dike structures can suffer. Many studies have investigated the impact forces caused by breaking waves for maritime structures including sea dikes and most predictions of the breaker forces are based on empirical or semi-empirical formulae calibrated from laboratory experiments. However, the wave breaking mechanism is complex and more research efforts are still needed to improve the accuracy in predicting breaker forces. This study proposes a semi-empirical formula, which is based on impulse-momentum relation, to calculate the slamming pressure due to plunging wave breaking on a sloping sea dike. Compared with some measured slamming pressure data in two literature, the calculation results by the new formula show reasonable agreements. Also, by analysing probability distribution function of wave heights, the proposed formula can be converted into a probabilistic expression form for convenience only.

Prediction of Physicochemical Properties of Organic Molecules Using Semi-Empirical Methods

  • Kim, Chan Kyung;Cho, Soo Gyeong;Kim, Chang Kon;Kim, Mi-Ri;Lee, Hai Whang
    • Bulletin of the Korean Chemical Society
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    • v.34 no.4
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    • pp.1043-1046
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    • 2013
  • Prediction of physicochemical properties of organic molecules is an important process in chemistry and chemical engineering. The MSEP approach developed in our lab calculates the molecular surface electrostatic potential (ESP) on van der Waals (vdW) surfaces of molecules. This approach includes geometry optimization and frequency calculation using hybrid density functional theory, B3LYP, at the 6-31G(d) basis set to find minima on the potential energy surface, and is known to give satisfactory QSPR results for various properties of organic molecules. However, this MSEP method is not applicable to screen large database because geometry optimization and frequency calculation require considerable computing time. To develop a fast but yet reliable approach, we have re-examined our previous work on organic molecules using two semi-empirical methods, AM1 and PM3. This new approach can be an efficient protocol in designing new molecules with improved properties.

Semi-empirical model to determine pre- and post-neutron fission product yields and neutron multiplicity

  • Jounghwa Lee;Young-Ouk Lee;Tae-Sun Park;Peter Schillebeeckx;Seung-Woo Hong
    • Journal of the Korean Physical Society
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    • v.80
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    • pp.953-963
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    • 2022
  • Post-neutron emission fission product mass distributions are calculated by using pre-neutron emission fission product yields (FPYs) and neutron multiplicity. A semi-empirical model is used to calculate the pre-neutron FPY, first. Then the neutron multiplicity for each fission fragment mass is used to convert the pre-neutron FPY to the post-neutron FPY. In doing so, assumptions are made for the probability for a pre-emission fission fragment with a mass number A* to decay to a post-emission fragment with a mass number A. The resulting post-neutron FPYs are compared with the data available. The systems where the experimental data of not only the pre- and post-neutron FPY but also neutron multiplicity are available are the thermal neutron-induced fission of 233U, 235U and 239Pu. Thus, we applied the model calculations to these systems and compared the calculation results with those from the GEF and the data from the ENDF and the EXFOR libraries. Both the pre- and post-neutron fission product mass distributions calculated by using the semi-empirical model and the neutron multiplicity reproduce the overall features of the experimental data.

Aerodynamic Characteristics of a Canard-Controlled Missile with Freely Spinning Tailfins Using a Semi-Empirical Method and a CFD Code (반실험적 기법 및 CFD 코드를 이용한 자유회전 테일핀을 갖는 커나드 조종 미사일에 관한 공력해석)

  • Yang, Young-Rok;Lee, Jin-Hee;Kim, Mun-Seok;Jung, Jae-Hong;Myong, Rho-Shin;Cho, Tae-Hwan
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.36 no.3
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    • pp.220-228
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    • 2008
  • In this study the aerodynamic characteristics of a canard-controlled missile with freely spinning tailfins were investigated by using a semi-empirical method and a CFD code. The mean aerodynamic coefficients for the rolling and roll damping moments were first calculated and then used to predict the roll-rate of freely spinning tailfins. The calculation of roll-rate in the CFD code was carried out by combining a Chimera overset grid system and 6-DOF analysis module. The predicted roll-rate was in good agreement with the experimental data for the roll and yaw canard control inputs. It was also shown that the results are in good agreement with the prediction by a CFD code. This indicates that the semi-empirical method can be used to predict the roll-rate of a canard-controlled missile with freely spinning tailfins.

Issues and Empirical Results for Improving Text Classification

  • Ko, Young-Joong;Seo, Jung-Yun
    • Journal of Computing Science and Engineering
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    • v.5 no.2
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    • pp.150-160
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    • 2011
  • Automatic text classification has a long history and many studies have been conducted in this field. In particular, many machine learning algorithms and information retrieval techniques have been applied to text classification tasks. Even though much technical progress has been made in text classification, there is still room for improvement in text classification. In this paper, we will discuss remaining issues in improving text classification. In this paper, three improvement issues are presented including automatic training data generation, noisy data treatment and term weighting and indexing, and four actual studies and their empirical results for those issues are introduced. First, the semi-supervised learning technique is applied to text classification to efficiently create training data. For effective noisy data treatment, a noisy data reduction method and a robust text classifier from noisy data are developed as a solution. Finally, the term weighting and indexing technique is revised by reflecting the importance of sentences into term weight calculation using summarization techniques.

Absolute Configurations of (±)-Glabridin Enantiomers

  • Kim, Mi-Hyang;Kim, Soo-Un;Kim, Yong-Ung;Han, Jae-Hong
    • Bulletin of the Korean Chemical Society
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    • v.30 no.2
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    • pp.415-418
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    • 2009
  • Concerned with ambiguous stereochemistry assignment of natural (+)-glabridin, absolute configurations of (${\pm}$)-glabridin enantiomers were studied with synthetic glabridin. Synthetic glabridin enantiomers were separated by semi-preparative Sumi-chiral column chromatography, and characterized by UV-Vis and NMR spectroscopy. Three-dimensional molecular structure of glabridin was obtained as equatorial Ph-3 half chair chroman ring from semi-empirical PM3 calculation, and refined by coupling constants in $^1H$ NMR spectrum. Finally, absolute configurations of two enantiomers were determined by circular dichroism spectroscopy based on the empirical helicity rules. Absolute configuration of natural (+)-glabridin was confirmed as (R)-glabridin, as known.

Calculation of the Viscosity and Diffusion Coefficients for Some Binary Gaseous Mixtures Using the Semi-empirical Inversion Method (반실험적 반전 방법을 이용한 이성분계 기체 혼합물의 점도와 확산계수 계산)

  • Rafiee, H.R.;Heidari, N.
    • Journal of the Korean Chemical Society
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    • v.55 no.4
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    • pp.581-589
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    • 2011
  • Viscosity and diffusion coefficients for the gaseous binary mixtures of benzene- toluene, benzene-phenol and benzene-p-xylene over a wide range of temperature and composition have been predicted using the semi-empirical inversion method. The accuracies are within 3% and 4% for viscosities and diffusion coefficients, respectively.

An Analytical Model on the Interface Debonding Failure of RC Beams Strengthened by GFRP (GFRP로 보강된 RC보의 계면박리파괴 해석모델)

  • 김규선;심종성
    • Journal of the Korea Concrete Institute
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    • v.11 no.3
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    • pp.69-80
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    • 1999
  • The strengthening of reinforced concrete structures by externally bonded GFRP has become increasingly common in resent years. However the analysis and design method for GFRP plate strengthening of RC beams is not well established yet. The purpose of present paper is, therefore, to define the failure mechanism and failure behavior of strengthened RC beam using GFRP and then to propose a resonable method for the calculation of interface debonding load for those beams. From the experimental results of beams strengthened by GFRP, the influence of length and thickness, width of plate on the interfacial debonding failure behavior of beam is studied and, on the basis of test results, the semi-empirical equation to predict debonding load is developed. The proposed theory based on nonlinear analysis and critical flexural crack width, predicts relatively well the debonding failure load of test beams and may be efficiently used in the analysis and design of strengthened RC beams using GFRP.

Molecular Nodeling of Complexation of Alkyl Ammonium Ions by p-tert-Butylcalix[4]crown-6-ether

  • Choe, Jong In;Kim, Gwang Ho;Jang, Seok Gyu
    • Bulletin of the Korean Chemical Society
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    • v.21 no.5
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    • pp.465-470
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    • 2000
  • The conformations and energies of p-tert-butylcalix[4] crown-6-ether (1) and its alkyl ammonium complexes have been simulated by AM1 semi-empirical quantum mechanics and molecular mechanics calculations using a variety of forcefields (MM2, MM+, CVFF). We performed molecular dynamics calculations to simulate the behavior of these coplexes primartily focusing on the three representative conformations (cone, partial cone, 1,3-alternate) of host molecule 1. When we performed AM1 semi-empirical and molecular mechanics calculations, the one conformation was generally found to be most stable for all the employed calculation methods. The primary binding site of host 1 for the recognition of alkyl ammonium guests was confirmed to be the central part of the crown moiety. The complexation enthalpy calculations revealed that the alkyl amonium cations having smaller and linear alkyl group showed the better complexation efficiencies when combined with p-tert-butylcalix[4]crown-6-ether, that is in satisfactory agreement with the experimental results.