• Title/Summary/Keyword: Semi-empirical Method

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A Design of Dynamic Structure Database for Ultra Precision FAB. Structure based on Semi-Empirical Method (준 경험적 기법에 의한 차세대 초정밀 FAB. 구조물의 통합 동적 구조 데이터베이스 설계)

  • Lee, Hyun-jun;Lee, Kyong-oh;Lee, Gyu-seop
    • Proceedings of the Korea Information Processing Society Conference
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    • 2012.04a
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    • pp.868-871
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    • 2012
  • 반도체와 LCD 산업 분야, 나노급 공정 및 검사 기술이 요구되는 산업 분야의 수요 증가에 따라 초정밀 가공/생산/검사 장비를 설치, 운용하는 FAB. 구조물의 설계 요구가 층증대 되고 있다. 이에 따라 건물의 환경진동 규제치도 강화되고 있는 실정이다. 이와 같은, 대형 구조물에서 서브마이크로 수준의 미진동(微振動)을 제어하는 문제는 여전히 어려운 과제로 남아 있다. 이는 진동 응답을 결정하는 구조와 재료가 복잡하고 다양한 형태를 갖고 있는 반면, 다루어야 할 동적 응답은 극한적으로 작은 마이크로(micro) 이하의 값을 다루어야 한다. 그러므로, 기존에 이용되고 있는 해석과 실험의 결과만으로는 신모델 설계에 적용하는 것은 어렵다. 따라서, 본 논문에서는 이러한 영역의 경험적 데이터물을 체계적인 데이터베이스로 구축하여 새로운 동적 구조 설계 기술의 기반을 제공하고자 한다.

MNDO Studies on the Gas-Phase S$_N$2 Reaction$^*$

  • Lee Ikchoon;Lee Bon-Su;Song Chang Hyun
    • Bulletin of the Korean Chemical Society
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    • v.6 no.4
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    • pp.191-196
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    • 1985
  • The MNDO was found to be the most reliable semi-empirical SCF-MO method for the studies of $S_N2$ reactions involving anion and neutral molecule. The results of our MNDO calculations on the $S_N2$ reactions of $CH_3X$ + $Y^-$$CH_3Y$ + X- where X = H, F, Cl, CN, $CH_3$, and Y = F, $CH_3$ showed that the order of the leaving group ability is the reverse of the order of proton affinities. It was also found that there is no symbiosis involved in the SN2 transition state and the departure of the leaving group is relatively late in contrast to the early bond formation of the nucleophile. The Marcus equation was found to apply to the MNDO barriers and energy changes.

A large scale simulation of floe-ice fractures and validation against full-scale scenario

  • Lu, Wenjun;Heyn, Hans-Martin;Lubbad, Raed;Loset, Sveinung
    • International Journal of Naval Architecture and Ocean Engineering
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    • v.10 no.3
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    • pp.393-402
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    • 2018
  • While interacting with a sloping structure, an ice floe may fracture in different patterns. For example, it can be local bending failure or global splitting failure depending on the contact properties, geometry and confinement of the ice floe. Modelling these different fracture patterns as a natural outcome of numerical simulations is rather challenging. This is mainly because the effects of crack propagation, crack branching, multi fracturing modes and eventual fragmentation within a solid material are still questions to be answered by the on-going research in the Computational Mechanic community. In order to simulate the fracturing of ice floes with arbitrary geometries and confinement; and also to simulate the fracturing events at such a large scale yet with sufficient efficiency, we propose a semi-analytical/empirical and semi-numerical approach; but with focus on the global splitting failure mode in this paper. The simulation method is validated against data we collected during the Oden Arctic Technology Research Cruise 2015 (OATRC2015). The data include: 1) camera images based on which we specify the exact geometry of ice floes before and after an impact and fracturing event; 2) IMU data based on which the global dynamic force encountered by the icebreaker is extracted for the impact event. It was found that this method presents reasonably accurate results and realistic fracturing patterns upon given ice floes.

Ab Initio Study of the Complexation Behavior of Calix[5]arene Derivative toward Alkyl Ammonium Cations

  • Choe, Jong-In;Chang, Suk-Kyu;Satoshi, Minamino;Nanbu, Shinkoh
    • Bulletin of the Korean Chemical Society
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    • v.24 no.1
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    • pp.75-80
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    • 2003
  • The structures and complexation energies of penta-O-alkylated 1b and penta-O-tert-butyl ester 1e of p-tert-butylcalix[5]arene and their simplified structures (2b and 2e) toward a series of alkyl ammonium guests have been calculated by a semi-empirical AM1 method. For AM1 calculations, complexation efficiencies of the simplified host 2e are very similar to the values of host 1e. The complexes of simplified host 2e with alkyl ammonium ions also have been optimized by ab initio HF/6-31G method. The calculated complexation efficiencies for 2e by ab initio method have been found to be bigger in magnitude than the values obtained by AM1 calculations for linear alkyl ammonium guests. Calculation results show that all of the calix[5]aryl derivatives investigated in this study have much better complexation ability toward ammonium cation without alkyl group compared with other alkyl ammonium guests. Ab initio calculations also well duplicate the molecular discriminating behaviors of calix[5]arene derivative 2e between butyl ammonium ions: $n-BuNH_3^+\;>\;iso-BuNH_3^+\;>\;sec-BuNH_3^+\;>\;tert-BuNH_3^+$.

A hybrid approach to predict the bearing capacity of a square footing on a sand layer overlying clay

  • Erdal Uncuoglu;Levent Latifoglu;Zulkuf Kaya
    • Geomechanics and Engineering
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    • v.34 no.5
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    • pp.561-575
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    • 2023
  • This study investigates to provide a fast solution to the problem of bearing capacity in layered soils with easily obtainable parameters that does not require the use of any charts or calculations of different parameters. Therefore, a hybrid approach including both the finite element (FE) method and machine learning technique have been applied. Firstly, a FE model has been generated which is validated by the results of in-situ loading tests. Then, a total of 192 three-dimensional FE analyses have been performed. A data set has been created utilizing the soil properties, footing sizes, layered conditions used in the FE analyses and the ultimate bearing capacity values obtained from the FE analyses to be used in multigene genetic programming (MGGP). Problem has been modeled with five input and one output parameter to propose a bearing capacity formula. Ultimate bearing capacity values estimated from the proposed formula using data set consisting of 20 data independent of total data set used in MGGP modelling have been compared to the bearing capacities calculated with semi-empirical methods. It was observed that the MGGP method yielded successful results for the problem considered. The proposed formula provides reasonable predictions and efficient enough to be used in practice.

The Error of the Method of Angular Sections of Microwave Sounding of Natural Environments in the System of Geoecological Monitoring

  • Fedoseeva, E.V.;Kuzichkin, O. R.
    • International Journal of Computer Science & Network Security
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    • v.21 no.6
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    • pp.47-53
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    • 2021
  • The article deals with the problems of application of microwave methods in systems of geoecological monitoring of natural environments and resources of the agro-industrial complex. It is noted that the methods of microwave radiometry make it possible, by the power of the measured intrinsic radio-thermal radiation of the atmosphere, when solving inverse problems using empirical and semi-empirical models, to determine such parameters of the atmosphere as thermodynamic temperature, humidity, water content, moisture content, precipitation intensity, and the presence of different fractions of clouds.In addition to assessing the meteorological parameters of the atmosphere and the geophysical parameters of the underlying surface based on the data of microwave radiometric measurements, it is possible to promptly detect and study pollution of both the atmosphere and the earth's surface. A technique has been developed for the analysis of sources of measurement error and their numerical evaluation, because they have a significant effect on the accuracy of solving inverse problems of reconstructing the values of the physical parameters of the probed media.To analyze the degree of influence of the limited spatial selectivity of the antenna of the microwave radiometric system on the measurement error, we calculated the relative measurement error of the ratio of radio brightness contrasts in two angular directions. It has been determined that in the system of geoecological monitoring of natural environments, the effect of background noise is maximal with small changes in the radiobrightness temperature during angular scanning and high sensitivity of the receiving equipment.

Comparative Evaluation on the Deriving Method of the Heat Transfer Coefficient of the C-D Nozzle (축소 확대 노즐의 열전달 해석을 위한 열전달 계수 계산 및 검증)

  • Noh, Tae Won;Roh, Tae-Seong;Lee, Hyoung Jin;Lee, Hyunseob;Yoo, Phil Hoon
    • Journal of the Korean Society of Propulsion Engineers
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    • v.26 no.2
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    • pp.1-11
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    • 2022
  • The heat transfer coefficient on the wall, which is used as a boundary condition in the thermal analysis of general contract-divergent supersonic nozzles, affects the thermal analysis accuracy of the entire nozzle. Accordingly, many methods of deriving a heat transfer coefficient have been proposed. In this study, the accuracy of each method was compared. For this purpose, the heat transfer coefficients were calculated through theoretical-based analogy methods, semi-empirical equations, and CFD simulations for the previously performed heat transfer experiment with an isothermal wall and compared with the experimental results. The results show that the Prandtl-Taylor analogy methods and the CFD results with the k-ω SST turbulence model were in good agreement with the experimental results. Furthermore, the Modified Bartz empirical formula showed an overall over-prediction tendency.

Retrieval Spectral Albedo using red and NIR band of SPOT/VGT

  • Lee, Chang Suk;Seo, Min Ji;Han, Kyung-Soo
    • Korean Journal of Remote Sensing
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    • v.30 no.3
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    • pp.367-373
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    • 2014
  • Albedo is one of the critical parameters for understanding global climate change and energy/water balance. In this study, we used red and NIR reflectance from Satellite Pour I'Obervation de la Terre (SPOT)/Vegetation (VGT) S1 product. The product is preprocessed for users that they are atmospherically corrected using Simple Method Atmospheric Correction (SMAC) by Vision on Technology (VITO) for calculating broadband albedo. Roujean's Bi-directional Reflectance Distribution Function (BRDF) model is a semi-empirical method used for BRDF angular integration and inversion. Each kernel of Roujean's model was multi integrated by angle components (i.e., viewing zenith, solar zenith, and relative azimuth angle). Black-sky hemispherical function is integrated by observational angle; whereas, white-sky hemispherical efficient is integrated by incident angle. Estimated spectral albedo of red ($0.61{\sim}0.68{\mu}m$, B2) and near infrared ($0.79{\sim}0.89{\mu}m$, B3) have a good agreement with MODIS albedo products.

Sensitivity study for important parameters of VIV fatigue evaluation of SCR

  • Lee, Sung-Je;Kang, Chanhoe;Jang, Changhwan;Park, Sung-Gun
    • Journal of Advanced Research in Ocean Engineering
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    • v.3 no.2
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    • pp.66-74
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    • 2017
  • Since risers have to be operated without being replaced during the design life time after installation, fatigue evaluation as well as strength analysis should be performed. The fatigue life of the riser is known to be dominantly influenced by wave loading and vortex induced vibration (VIV) phenomena. The fatigue life evaluation method and the behavior characteristics of the riser by the wave have been done a lot. Even though the VIV is an important source of fatigue damage for SCR, the evaluation method and behavior characteristics by VIV have not been studied relatively. Most of the S / W for calculating VIV fatigue are a semi-empirical model based on various theoretical models and experiments. For better understanding of VIV response, it is necessary to investigate the effect of parameters which affects the analysis result. This paper summarizes the results of parametric study performed to enhance the understanding of relationship between each parameter and fatigue analysis result.

Aerodynamic Noise Analysis of High Speed Wind Turbine System for Design Parameters of the Rotor Blade (고속 회전 풍력 시스템의 로터 설계 인자에 따른 공력 소음 해석 연구)

  • Lee, Seung-Min;Kim, Ho-Geon;Son, Eun-Kuk;Lee, Soo-Gab
    • 한국신재생에너지학회:학술대회논문집
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    • 2009.06a
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    • pp.521-524
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    • 2009
  • This study describes aerodynamic noise of high speed wind turbine system, which is invented as a new concept in order to reduce the torque of main shaft, for design parameters of the rotor blade. For parametric study of high speed rotor aerodynamic noise, Unsteady Vortex Lattice Method with Nonlinear Vortex Correction Method is used for analysis of wind turbine blade aerodynamic and Farassat1A and Semi-Empirical are used for low frequency noise and airfoil self noise. Parameters are chord length, twist and rotational speed for this parametric research. In the low frequency range, the change of noise is predicted the same level as each parameters varies. However, in case of broadband noise of blade, the change of rotational speed makes more variation of noise than other parameters. When the geometric angles of attack are fixed, as the rotational speed is increased by 5RPM, the noise level is increased by 4dB.

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