• Title/Summary/Keyword: Mixed Calculations

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ESR 분광법에 의한 Anthraquinone 치환체의 음이온 라디칼에 대한 초미세 분리상수의 측정과 이론적 해석

  • Hong, Dae Il;Kim, Gyeong Chan;Kim, Chang Jin;Lee, Gap Ryong
    • Journal of the Korean Chemical Society
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    • v.38 no.1
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    • pp.13-20
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    • 1994
  • Substituted anthrasemiquinone radical anions, which were formed by laser flash photoreduction of the substituted anthraquinone (1,4-DHAQ, 1,5-DHAQ, 1,8-DHAQ, 1,8-DCAQ), were studied by the electron spin resonance spectroscopy in the mixed solvents of the 2-propanol and the triethylamine. Hyperfine splitting constants (hfsc) were determined by simulating the ESR spectra. Extended Huckel Molecular Orbital (EHMO) calculations were performed to obtain $\pi$ spin densities for these quinones. The hyperfine splitting constants could be assigned to specific protons on the basis of $\pi$ spin densities.

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Non-stationary mixed problem of elasticity for a semi-strip

  • Reut, Viktor;Vaysfeld, Natalya;Zhuravlova, Zinaida
    • Coupled systems mechanics
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    • v.9 no.1
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    • pp.77-89
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    • 2020
  • This study is dedicated to the dynamic elasticity problem for a semi-strip. The semi-strip is loaded by the dynamic load at the center of its short edge. The conditions of fixing are given on the lateral sides of the semi-strip. The initial problem is reduced to one-dimensional problem with the help of Laplace's and Fourier's integral transforms. The one-dimensional boundary problem is formulated as the vector boundary problem in the transform's domain. Its solution is constructed as the superposition of the general solution for the homogeneous vector equation and the partial solution for the inhomogeneous vector equation. The matrix differential calculation is used for the deriving of the general solution. The partial solution is constructed with the help of Green's matrix-function, which is searched as the bilinear expansion. The case of steady-state oscillations is considered. The problem is reduced to the solving of the singular integral equation. The orthogonalization method is applied for the calculations. The stress state of the semi-strip is investigated for the different values of the frequency.

Retrieval of Dust Backscatter Coefficient using Quartz Raman Channel in Lidar Measurements (석영 라만 채널을 이용한 황사 후방 산란 계수 산출)

  • Noh, Young-Min;Mueller, Detlef;Lee, Han-Lim
    • Journal of Korean Society for Atmospheric Environment
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    • v.28 no.1
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    • pp.86-93
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    • 2012
  • We present a retrieval method to obtain dust backscatter coefficient from the mixed Asian dust and pollutant layer. In the present study, vertically resolved quartz (silicon dioxide, silica) concentration was calculated using Raman scattering signals from quartz at 546 nm. Dust concentration was obtained based on typical mass percentage of quartz in Asian dust. The highest value of dust concentration at 3.7 km in March 21, 2010 was 22.3 and 10.9 ${\mu}gm^{-3}$ according to the quartz percentage in Asian dust as 65 and 30% based on literature survey, respectively. OPAC (Optical Properties of Aerosol and Clouds) simulations were conducted to calculate dust backscatter coefficient. The retrieved dust concentration was used as an input parameter for the OPAC calculations. Utilization of quartz Raman channel in Lidar measurements is considered useful for distinguishing optical properties of dust and nondust aerosol in the mixing state of Asian dust.

Intergrowth of Biotite and Chlorite in an Amphibolitic Schist: Prograde or Retrograde Reaction\ulcorner (각섬암에서 관찰된 흑운모와 녹니석의 협재 조직: 전진 또는 후퇴변성작용에 의한 것인가\ulcorner)

  • 안중호;조문섭
    • Journal of the Mineralogical Society of Korea
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    • v.12 no.2
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    • pp.66-76
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    • 1999
  • Intergrowth texture of biotite and chlorite crystals within an amphibolitic schist of the northwestern Okchon metamorphic belt was investigated using back-scattered electron (BSE) imaging and high-resolution transmission electron microscopy (HRTEM). BSE images show that thin chlorite and biotite packets are mixed along (001) plane to result in intergrowth texture. In addition, rutile particles of submicron size occur exclusively at the boundaries between biotite and chlorite stacks. HRTEM investigation and remnant biotite layers are closely associated with such boundaries, suggestinga possibility that chlorite layers were formed from biotite during retrograde metamorphic reaction. Such intepretation of the origin of intergrowth texture can be further supported biotite is approximately 2 w%, and that of chlorite usually lower than 0.2 wt%. Ti was apparently leached out during the alteratin of biotite to precipitate rutile particles at the such rutile particles could be an important indicator showing that the intergrowth texture of chlorite and biotite is originated by a retrograde metamorphism rather than by incomplete chlorite-to-biotite reaction during prograde metamorphism. Biotite crystals contain intercalated chlorite layers will result in somewhat high Mg and Al, and the use of such inhomogeneous biotite will result in impreciese geothermobarometric calculations.

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Effect of B-Cation Doping on Oxygen Vacancy Formation and Migration in LaBO3: A Density Functional Theory Study

  • Kwon, Hyunguk;Park, Jinwoo;Kim, Byung-Kook;Han, Jeong Woo
    • Journal of the Korean Ceramic Society
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    • v.52 no.5
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    • pp.331-337
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    • 2015
  • $LaBO_3$ (B = Cr, Mn, Fe, Co, and Ni) perovskites, the most common perovskite-type mixed ionic-electronic conductors (MIECs), are promising candidates for intermediate-temperature solid oxide fuel cell (IT-SOFC) cathodes. The catalytic activity on MIEC-based cathodes is closely related to the bulk ionic conductivity. Doping B-site cations with other metals may be one way to enhance the ionic conductivity, which would also be sensitively influenced by the chemical composition of the dopants. Here, using density functional theory (DFT) calculations, we quantitatively assess the activation energies of bulk oxide ion diffusion in $LaBO_3$ perovskites with a wide range of combinations of B-site cations by calculating the oxygen vacancy formation and migration energies. Our results show that bulk oxide ion diffusion dominantly depends on oxygen vacancy formation energy rather than on the migration energy. As a result, we suggest that the late transition metal-based perovskites have relatively low oxygen vacancy formation energies, and thereby exhibit low activation energy barriers. Our results will provide useful insight into the design of new cathode materials with better performance.

Shielding Thickness Calculations for Line Gamma-ray Sources in Regular Geometrical Array (일반적(一般的) 배열(配列)인 선형(線型) 감마선원(線源)의 차폐계산(遮蔽計算))

  • Lee, Chong-Chul
    • Journal of Radiation Protection and Research
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    • v.3 no.1
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    • pp.29-32
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    • 1978
  • A shielding calculation has been carried out for a storage vault of $5292(42{\times}42{\times}3)$ waste drums in which the mixed radioactive gamma-emitters are contained. The required ordinary concrete shielding thickness seems to be approximately 50cm. The results in terms of dose rate for polyenergy gammas appear to be considerably higher than those of the averaged energy gamma.

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FUNDAMENTALS AND RECENT DEVELOPMENTS OF REACTOR PHYSICS METHODS

  • CHO NAM ZIN
    • Nuclear Engineering and Technology
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    • v.37 no.1
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    • pp.25-78
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    • 2005
  • As a key and core knowledge for the design of various types of nuclear reactors, the discipline of reactor physics has been advanced continually in the past six decades and has led to a very sophisticated fabric of analysis methods and computer codes in use today. Notwithstanding, the discipline faces interesting challenges from next-generation nuclear reactors and innovative new fuel designs in the coming. After presenting a brief overview of important tasks and steps involved in the nuclear design and analysis of a reactor, this article focuses on the currently-used design and analysis methods, issues and limitations, and current activities to resolve them as follows: (1) Derivation of the multi group transport equations and the multi group diffusion equations, with representative solution methods thereof. (2) Elements of modem (now almost three decades old) diffusion nodal methods. (3) Limitations of nodal methods such as transverse integration, flux reconstruction, and analysis of UO2-MOX mixed cores. Homogenization and related issues. (4) Description of the analytic function expansion nodal (AFEN) method. (5) Ongoing efforts for three-dimensional whole-core heterogeneous transport calculations and acceleration methods. (6) Elements of spatial kinetics calculation methods and coupled neutronics and thermal-hydraulics transient analysis. (7) Identification of future research and development areas in advanced reactors and Generation-IV reactors, in particular, in very high temperature gas reactor (VHTR) cores.

Study on bidirectional fluid-solid coupling characteristics of reactor coolant pump under steady-state condition

  • Wang, Xiuli;Lu, Yonggang;Zhu, Rongsheng;Fu, Qiang;Yu, Haoqian;Chen, Yiming
    • Nuclear Engineering and Technology
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    • v.51 no.7
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    • pp.1842-1852
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    • 2019
  • The AP1000 reactor coolant pump is a vertical shielded-mixed flow pump, is the most important coolant power supply and energy exchange equipment in nuclear reactor primary circuit system, whose steadystate and transient performance affect the safety of the whole nuclear island. Moreover, safety demonstration of reactor coolant pump is the most important step to judge whether it can be practiced, among which software simulation is the first step of theoretical verification. This paper mainly introduces the fluid-solid coupling simulation method applied to reactor coolant pump, studying the feasibility of simulation results based on workbench fluid-solid coupling technology. The study found that: for the unsteady calculations of the pure liquid media, the average head of the reactor coolant pump with bidirectional fluid-solid coupling decreases to a certain extent. And the coupling result is closer to the real experimental value. The large stress and deformation of rotor under different flow conditions are mainly distributed on impeller and idler, and the stress concentration mainly occurs at the junction of front cover plate and blade outlet. Among the factors that affect the dynamic stress change of rotor, the pressure load takes a dominant position.

Studies on Methanolic Extract of Lepidagathis keralensis as Green Corrosion Inhibitor for Mild Steel in 1M HCl

  • Leena, Palakkal;Zeinul Hukuman, N.H.;Biju, A.R.;Jisha, Mullapally
    • Journal of Electrochemical Science and Technology
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    • v.10 no.2
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    • pp.231-243
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    • 2019
  • The methanolic extracts of the leaves and stem of the plant Lepidagathis keralensis were evaluated for anticorrosion behavior against mild steel in 1M HCl. Corrosion inhibition studies were done by gravimetric method, electrochemical impedance spectroscopy and potentiodynamic polarization methods. Surface morphology of mild steel in the presence and absence of inhibitors were studied using SEM analysis. UV-Vis studies were also done to evaluate the mechanism of inhibition. Both the extracts showed good inhibition efficiency which increased with increase in concentration of the inhibitor and decreased with increase in temperature. The mechanism of inhibition was explained by adsorption which obeyed Langmuir adsorption isotherm. Thermodynamic calculations revealed a combination of both physisorption and chemisorption of the inhibitor on the surface of mild steel. The extracts behaved as mixed type inhibitors as determined by polarization studies. Quantum chemical studies on Phenoxyethene, one of the major components in the leaf extract of the plant was also carried out to support the experimental results.

An Application of Artificial Intelligence System for Accuracy Improvement in Classification of Remotely Sensed Images (원격탐사 영상의 분류정확도 향상을 위한 인공지능형 시스템의 적용)

  • 양인태;한성만;박재국
    • Journal of the Korean Society of Surveying, Geodesy, Photogrammetry and Cartography
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    • v.20 no.1
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    • pp.21-31
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    • 2002
  • This study applied each Neural Networks theory and Fuzzy Set theory to improve accuracy in remotely sensed images. Remotely sensed data have been used to map land cover. The accuracy is dependent on a range of factors related to the data set and methods used. Thus, the accuracy of maps derived from conventional supervised image classification techniques is a function of factors related to the training, allocation, and testing stages of the classification. Conventional image classification techniques assume that all the pixels within the image are pure. That is, that they represent an area of homogeneous cover of a single land-cover class. But, this assumption is often untenable with pixels of mixed land-cover composition abundant in an image. Mixed pixels are a major problem in land-cover mapping applications. For each pixel, the strengths of class membership derived in the classification may be related to its land-cover composition. Fuzzy classification techniques are the concept of a pixel having a degree of membership to all classes is fundamental to fuzzy-sets-based techniques. A major problem with the fuzzy-sets and probabilistic methods is that they are slow and computational demanding. For analyzing large data sets and rapid processing, alterative techniques are required. One particularly attractive approach is the use of artificial neural networks. These are non-parametric techniques which have been shown to generally be capable of classifying data as or more accurately than conventional classifiers. An artificial neural networks, once trained, may classify data extremely rapidly as the classification process may be reduced to the solution of a large number of extremely simple calculations which may be performed in parallel.