• Title/Summary/Keyword: Ray theory

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Electronic Structure of Ce-doped ZrO2 Film: Study of DFT Calculation and Photoelectron Spectroscopy

  • Jeong, Kwang Sik;Song, Jinho;Lim, Donghyuck;Kim, Hyungsub;Cho, Mann-Ho
    • Applied Science and Convergence Technology
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    • v.25 no.1
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    • pp.19-24
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    • 2016
  • In this study, we evaluated the change of electronic structure during redox process in cerium-doped $ZrO_2$ grown by sol gel method. By sol-gel method, we could obtain cerium-doped $ZrO_2$ in high oxygen partial pressure and low temperature. After post annealing process in nitrogen ambient, the film is deoxidized. We used spectroscopic and theoretical methods to analysis change of electronic structure. X-ray absorption spectroscopy (XAS) for O K1-edge and Density Functional Theory (DFT) calculation using VASP code were performed to verify the electronic structure of the film. Also, high resolution x-ray photoelectron spectroscopy (HRXPS) for Ce 3d was carried out to confirm chemical bond of cerium doped $ZrO_2$. Through the investigation of the electronic structure, we verified as followings. (1) During reduction process, binding energy of oxygen is increase. Simultaneously, oxidation state of cerium was change to 4+ to 3+. (2) Cerium 4+ and cerium 3+ states were generated at different energy level. (3) Absorption states in O K edge were mainly originated by Ce 4+ $f_0$ and Ce 3+, while occupied states in valance band were mainly originated from Ce 4+ $f_2$.

Thermal Treatment Effect on Thermoelectric Characteristics of Perovskite La0.5Ca0.5MnO3 (페로브스카이트 La0.5Ca0.5MnO3 재료의 열전 특성에 미치는 열처리 효과)

  • Yang, Su-Chul
    • Journal of the Korean Electrochemical Society
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    • v.20 no.3
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    • pp.55-59
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    • 2017
  • In this study, thermoelectric characteristics of perovskite $La_{0.5}Ca_{0.5}MnO_3$ (LCMO) nanomaterials were investigated by theoretical simulation and experimental analysis. Thermoelectric power factors calculated by DFT simulation were gradually enhanced as increase in annealing temperature. Maximum power factor was obtained with high magnitude of $S^2{\sigma}=566{\mu}W/m{\cdot}K^2$ at 1100 K through a dominant improvement of Seebeck coefficient compared with electrical conductivity. Experimentally, the LCMO nanomaterials were hydrothermally synthesized and then treated by post thermal annealing with temperature variation. X-ray diffraction and SEM analysis illustrated that LCMO exhibited orthorhombic perovskite structures with small grain size of 16~19 nm over 873 K. The results directly confirmed that improvement of crystallinity and decrease of mean grain size given by post thermal annealing lead to enhancements of electrical conductivity and Seebeck coefficient, respectively.

Measurement and Analysis of X-ray Absorbed Dose in Water Phantom using TLD (TLD를 이용한 X-선 수중 흡수선량 측정 및 해석)

  • Oh, Jang-Jin;Jun, Jae-Shik;Hah, Suck-Ho;Kim, Wuon-Shik;Hwang, Sun-Tae
    • Journal of Radiation Protection and Research
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    • v.13 no.2
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    • pp.21-28
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    • 1988
  • Absorbed dose in water was analyzed by Burlin's general cavity theory for medium X-ray energy region (HVL : 0.29, 0.84, 1.60, 2.62mm Cu) using LiF : PTFE TL dosimeter(0.4 mm ${\times}\;{\phi}$ 12.5mm, hot-pressed LiF TLD-700) which was enclosed in lucite capsule. The absorbed dose rate at 5cm depth in water phantom was determined with measurement error of ${\pm}5%$. This result was compared to that of the ionization method, indirectly absolute measurement method, of which measurement error of ${\pm}2%$. The difference between these two results lies within measurement error of LiF : PTFE method. Therefore, the absorbed dose in water obtained by LiF: PTFE is reliable, and this result suggests the base to estimate dose-equivalent for medium X-rays.

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Electronic Structure of [NiS4]- Investigated by Single-Crystal EPR and Density Functional Theory

  • Min, Su-Young;Noh, Dong-Youn;Choi, Cheol-Ho;Lee, Hong-In
    • Journal of the Korean Magnetic Resonance Society
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    • v.16 no.1
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    • pp.78-90
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    • 2012
  • To understand the electronic structure of $[NiS_4]^-$ complex ions, two complexes with such $[NiS_4]^-$ core, $FcCH=CHPymCH_3[Ni(dmit)_2]$ (Pym = pyridinium, $dmit^{2-}$ = 2-thioxo-1,3-dithiole-4,5-dithiolate) and $FcCH=CHPymCH_3[Ni(dddt)_2]{\cdot}{\frac{1}{2}}H_2O$ ($dddt^{2-}=5,6-dihydro-1,4-dithiin-2,3-dithiolato$), were synthesized to be characterized by X-ray crystallography, single crystal electron paramagnetic resonance (EPR) and density functional theory (DFT) calculation. Powder EPR spectra show narrow g-anisotropy but the anisotropy is bigger in $[Ni(dmit)_2]^-$ than in $[Ni(dddt)_2]^-$, indicating bigger spin density in Ni(III) d-orbital of $[Ni(dmit)_2]^-$ than in $[Ni(dddt)_2]^-$, which is consistent to DFT results. EPR studies of the crystals of the complexes surprisingly suggest that the $g_y$-axis of $[Ni(dddt)_2]^-$ is approximately on or perpendicular to the $[NiS_4]^-$ plane while the $g_y$-axis of $[Ni(dmit)_2]^-$ is on the plane, though DFT study of the complexes of this study and previously reported $[NiS_4]^-$ complexes indicate that the $g_y$-axis is on the $[NiS_4]^-$ plane.

Synthesis, Crystal Structure and Characterization of Cu(II) and Cd(II) Coordination Compounds Based on Ligand 2-(3-(Pyridin-2-yl)-1H-pyrazol-1-yl)acetic Acid

  • Zhang, Ya-Jun;Wang, Cui-Juan;Mao, Kai-Li;Liu, Xiao-Lei;Huang, Shuai;Tong, Yan;Zhou, Xian-Li
    • Bulletin of the Korean Chemical Society
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    • v.35 no.7
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    • pp.2086-2092
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    • 2014
  • Two novel coordination compounds $[Cu_2(pypya)_3(H_2O)_2]{\cdot}Cl{\cdot}(H_2O)_5$ (1) and $\{[Cd(pypya)(ta)_{1/2}]{\cdot}H_2O\}_n$ (2) (Hpypya=2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)acetic acid, $H_2ta$=terephthalic acid) were synthesized and characterized by single X-ray diffraction. Structure determination reveals that complex 1 and complex 2 crystallize in the triclinic system, with the P-1 space group. The asymmetric unit of 1 contains two Cu(II) ions, and their coordination modes are different. These units of complex 1 are linked together via hydrogen bonds and ${\pi}-{\pi}$ interactions, and the 3D structure of complex 1 was formed. Complex 2, a mononuclear Cd(II) coordination compound, has a 2D structure which was constructed via coordination bonds. TGA and fluorescence spectra analysis of complex 1 and complex 2 have also been studied. In addition, the geometry parameters of complex 1 have been optimized with the B3LYP method of density functional theory (DFT) to explain its coordination behavior. The electronic properties of the complex 1 and ligand Hpypya have been investigated based on the nature bond orbital (NBO) analysis at the B3LYP level of theory. The result verifies that the synergistic effect have occurred in the compound.

Drying Characteristics by Infrared Heating of agricultural products (원적외선 가열에 의한 농산물의 건조특성)

  • Sang, Hie-Sun;Bae, Nae-Kyung
    • Journal of the Korean Society of Industry Convergence
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    • v.8 no.1
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    • pp.47-55
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    • 2005
  • Infrared heating has been traditionally used in industrial applications for processes such as dehydration of food industrial. This heating method involves the application of radiation in the wavelength range of 2 to 50 micrometers. In this work, simultaneous heat balance equations were developed to simulate the infrared radiation heating of agricultural products. The equations assume that moisture diffuses to the outer boundaries of the material in liquid form and evaporation occurs at the surface of the agricultural products. Energy for moisture evaporation is supplied by the infrared radiant energy. The optimum temperature and drying time for the best drying conditions of changing the red peppers with the moisture content of 18% and the restore rate of 80~85% are $80^{\circ}C$ and 44 hours. The performance of radiation tubes coating with the radiation paint developed in this research has the energy of $2.27{\times}103W/m^2{\mu}m$, $150^{\circ}C$ within the scope of radiation wave length of $2{\sim}30{\mu}m$ and has the radiation 0.92~0.93, which is superior to the general radiation tubes. The extinction coefficient according to the band pass filter using the 4 flux theory ha higher dependability on wave length, accounting for $2{\sim}17{\mu}m$ and $5{\times}105{\sim}106m-1$. A comparison between the theoretical energy transfer whose figures are interpreted according to 4 flux theory and the experimental energy transfer of far infrared dryer leads to the findings of the agreement less than 5%.

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GRAVITATIONAL WAVES AND ASTRONOMY (중력파와 천문학)

  • Lee, Hyung-Mok;Lee, Chang-Hwan;Kang, Gung-Won;Oh, John-J.;Kim, Chung-Lee;Oh, Sang-Hoon
    • Publications of The Korean Astronomical Society
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    • v.26 no.2
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    • pp.71-87
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    • 2011
  • Gravitational waves are predicted by the Einstein's theory of General Relativity. The direct detection of gravitational waves is one of the most challenging tasks in modern science and engineering due to the 'weak' nature of gravity. Recent development of the laser interferometer technology, however, makes it possible to build a detector on Earth that is sensitive up to 100-1000 Mpc for strong sources. It implies an expected detection rate of neutron star mergers, which are one of the most important targets for ground-based detectors, ranges between a few to a few hundred per year. Therefore, we expect that the gravitational-wave observation will be routine within several years. Strongest gravitational-wave sources include tight binaries composed of compact objects, supernova explosions, gamma-ray bursts, mergers of supermassive black holes, etc. Together with the electromagnetic waves, the gravitational wave observation will allow us to explore the most exotic nature of astrophysical objects as well as the very early evolution of the universe. This review provides a comprehensive overview of the theory of gravitational waves, principles of detections, gravitational-wave detectors, astrophysical sources of gravitational waves, and future prospects.

Feasibility of Ocean Survey by using Ocean Acoustic Tomography in southwestern part of the East Sea (동해 남서해역에서 해양음향 토모그래피 운용에 의한 해양탐사 가능성)

  • Han, Sang-Kyu;Na, Jung-Yul
    • The Journal of the Acoustical Society of Korea
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    • v.13 no.6
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    • pp.75-82
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    • 1994
  • The ray paths and travel times of sound wave in the ocean depend on the physical properties of the propagating media. Ocean Acoustic Tomography(OAT), which is inversely estimate the travel time variations between fixed sources and receivers the physical properties of the corresponding media can he understood. To apply ocean survey technology by using the OAT, the tomographic procedure requires forward problem that variation of the travel times be identified with the variability of the medium. Also, received signals must be satisfied the necessary conditions of ray path stability, identification and resolution in order for OAT to work. The canonical ocean has been determined based on the historical data and its travel time and ray path are used as reference values. The sound speed of canonical ocean in the East Sea is about 1523 m/s at the surface and 1458 m/s at the sound channel axis(400m). Sound speeds in the East Sea are perturbed by warm eddy whose horizontal extension is more than 100 km with deeper than 200 m in depth scale. In this study, an acoustic source and receiver are placed at the depth above the sound channel axis, 350 m, and are separated by 200 km range. Ray paths are identified by the ray theory methed in a range dependent medium whose sound speeds are functions of a range and depth. The eigenray information obtained from interpolation between the rays bracketing the receiver are used to simulate the received signal by convolution of source signal with the eigenray informations. The source signal is taken as a 400 Hz rectangular pulse signal, bandwidth is 16 Hz and pulse length is 64 ms. According to the analysis of the received signal and identified ray path by using numerical model of underwater sound propagation, simulated signals satisfy the necessary conditions of OAT, applied in the East Sea.

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Template-Based Object-Order Volume Rendering with Perspective Projection (원형기반 객체순서의 원근 투영 볼륨 렌더링)

  • Koo, Yun-Mo;Lee, Cheol-Hi;Shin, Yeong-Gil
    • Journal of KIISE:Computer Systems and Theory
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    • v.27 no.7
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    • pp.619-628
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    • 2000
  • Abstract Perspective views provide a powerful depth cue and thus aid the interpretation of complicated images. The main drawback of current perspective volume rendering is the long execution time. In this paper, we present an efficient perspective volume rendering algorithm based on coherency between rays. Two sets of templates are built for the rays cast from horizontal and vertical scanlines in the intermediate image which is parallel to one of volume faces. Each sample along a ray is calculated by interpolating neighboring voxels with the pre-computed weights in the templates. We also solve the problem of uneven sampling rate due to perspective ray divergence by building more templates for the regions far away from a viewpoint. Since our algorithm operates in object-order, it can avoid redundant access to each voxel and exploit spatial data coherency by using run-length encoded volume. Experimental results show that the use of templates and the object-order processing with run-length encoded volume provide speedups, compared to the other approaches. Additionally, the image quality of our algorithm improves by solving uneven sampling rate due to perspective ray di vergence.

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Calculation of Longitudinal Aberrations in Decentered Optical System with Non-symmetrical Elements (비대칭 오차요인이 있는 편심 광학계에서의 종수차 계산)

  • Ryu, Jae-Myung;Jo, Jae-Heung;Kang, Geon-Mo;Lee, Hae-Jin;Yoneyama, Suji
    • Korean Journal of Optics and Photonics
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    • v.21 no.4
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    • pp.151-160
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    • 2010
  • When the optical image stabilization is implemented by moving one of the lens groups in a zoom system, decentration should be considered in the optical design process. Although it is partially possible to calibrate optical performances in an optical system with non-symmetrical elements by using a lot of commercial software, the results of calibrating longitudinal aberrations have some calibration errors because of the lack of precise consideration of decentered optical systems. In particular, the amount of distortion in paraxial ray tracing is different from the experimental value because paraxial ray tracing in the optical system is not useful. In this paper, in order to solve this problem being from various commercial lens design software, the set of equations of paraxial ray tracing in a zoom lens system with the non-symmetrical elements like decentration or tilt are theoretically induced. Then, the methods to calibrate the equations of longitudinal aberrations by using these equations in a non-symmetrical optical system are presented. The method of calibrating longitudinal aberrations can in practice be used to correct hand shaking effects in a zoom lens system.