• Title/Summary/Keyword: Local atomic structure

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이차전지 양극활물질의 chemical state 측정을 위한 X0ray Induced Electron Emission Spectroscopy (XIEES)의 활용

  • 이재철;송세안;임창빈
    • Proceedings of the Korean Vacuum Society Conference
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    • 2000.02a
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    • pp.167-167
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    • 2000
  • 전지 재료의 충방전 과정 연구에는 X-선 분말회절(x-ray powder diffraction techniques)과 중성자회절을 많이 사용하였다. 하지만 이러한 분석기술은 long-range order의 구조에 관한 정보를 제공하는데 유용하지만 atomic scale의 구조에 관한 정보를 얻기에는 한계가 있다. Li 전지에서의 전기화학적 반응에서는 cathode 물질에 포함된 전이금속의 산화, 환원 반응에 의한 Li 이온의 intercalation (charge process)과 deintercalation (discharge process) 현상이 일어난다. 이러한 충방전 과정은 알려지지 않은 다양한 형태의 위상 변화를 동반하게 되는데 x-선 이나 중성자를 이용한 powder diffraction techniques 로는 단지 정성적인 결정학적 정보를 얻을 수 있다. 따라서 최근에 원자 단위의 local structure에 관한 정보와 electrochemical state에 관한 정보를 동시에 얻을 수 있는 X-ray Absorption Fine Structure (XAFS) 분석기술을 Li 전지분석에 활용하기 시작하였다. XAFS는 하나의 x-ray 흡수원자에 대해서 주변원자들의 원자구조에 관한 정보와 구성 원소의 electrochemical state에 관한 정보를 얻을 수 있는 분석방법이다. X-ray Induced Electron Emission Spectroscopy (XIEES)는 x-ray에 의해서 방출된 전자를 검출하여 스펙트럼을 얻는 기능을 함축적으로 나타낸 것으로, x-ray를 물질 표면에 조사하여 발생하는 광전자, Auger 전자, 이차전자 등을 전자검출기(Channel Electron Multiplier: CEM)로 검출하는 기능과, 시료를 투과한 x-ray와 시료에서 발생하는 형광 x-ray를 비례계수기로 검출하는 기능을 가지고 있다. 이러한 검출 능력을 바탕으로 EXAFS, XANES, Standing Wave Technique, Elemental Composition Analysis, DXRD, Total Reflection Technique 등을 이용하여 물질을 구성하고 있는 원소의 성분, 미세원자구조, 전자구조에 관한 정보를 얻을 수 있는 새로운 spectrometer이다. 본 연구에서는 자체 개발한 XIEES의 XAFS 기능을 이용하여 여러 가지 방법으로 제조한 LiMn2-xO4와 LiMnO2, MnO2에서 Mn K-absorption edge에 대한 chemical state 변화를 측정하였다. Absorption edge에서 chemical shift를 측정하기 위해서는 방사광 가속기 수준의 에너지 분해능(~0.3eV)이 필요하다. 이번 연구에서는 SiO2(3140) monochromator를 사용하고 여기에 맞는 적절한 parameter를 적용하여 x-ray 에너지 분해능을 포항방사광가속기 수준으로 개선하였다. XIEES에서 얻은 스펙트럼과 포항방사광가속기에서 얻은 스펙트럼을 비교하였다. Chemical shift가 일어나는 경향은 두 실험 결과가 잘 일치하였다.

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Study on Nucleation and Evolution Process of Ge Nano-islands on Si(001) Using Atomic Force Microscopy (AFM을 이용한 Si (001) 표면에 Ge 나노점의 형성과 성장과정에 관한 연구)

  • Park, J.S.;Lee, S.H.;Choia, M.S.;Song, D.S.;Leec, S.S.;Kwak, D.W.;Kim, D.H.;Yang, W.C.
    • Journal of the Korean Vacuum Society
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    • v.17 no.3
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    • pp.226-233
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    • 2008
  • The nucleation and evolution process of Ge nano-islands on Si(001) surfaces grown by chemical vapor deposition have been explored using atomic force microscopy (AFM). The Ge nano-islands are grown by exposing the substrates to a mixture of gasses GeH4 and H2 at pressure of 0.1-0.5Torr and temperatures of $600-650^{\circ}C$. The effect of growth conditions such as temperature, Ge thickness, annealing time on the shape, size, number density, and surface distribution was investigated. For Ge deposition greater than ${\sim}5$ monolayer (ML) with a growth rate of ${\sim}0.1ML/sec$ at $600^{\circ}C$, we observed island nucleation on the surface indicating the transition from strained layer to island structure. Further deposition of Ge led to shape transition from initial pyramid and hut to dome and superdome structure. The lateral average size of the islands increased from ${\sim}20nm$ to ${\sim}310nm$ while the number density decreased from $4{\times}10^{18}$ to $5{\times}10^8cm^{-2}$ during the shape transition process. In contrast, for the samples grown at a relatively higher temperature of $650^{\circ}C$ the morphology of the islands showed that the dome shape is dominant over the pyramid shape. The further deposition of Ge led to transition from the dome to the superdome shape. The evolution of shape, size, and surface distribution is related to energy minimization of the islands and surface diffusion of Ge adatoms. In particular, we found that the initially nucleated islands did not grow through long-range interaction between whole islands on the surface but via local interaction between the neighbor islands by investigation of the inter-islands distance.

Effects of Sulfur Substitution on Chemical Bonding Nature and Electrochemical Performance of Layered LiMn0.9Cr0.1O2-xSx

  • Lim, Seung-Tae;Park, Dae-Hoon;Lee, Sun-Hee;Hwang, Seong-Ju;Yoon, Young-Soo;Kang, Seong-Gu
    • Bulletin of the Korean Chemical Society
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    • v.27 no.9
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    • pp.1310-1314
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    • 2006
  • Sulfur-substituted $LiMn_{0.9}Cr_{0.1}O_{2-x}S_x$ $(0\;\leq\;x\;\leq\;0.1)$ layered oxides have been prepared by solid state reaction under inert atmosphere. From powder X-ray diffraction analyses, all the present lithium manganates were found to be crystallized with monoclinic-layered structure. Electrochemical measurements clearly demonstrated that, in comparison with the pristine $LiMn_{0.9}Cr_{0.1}O_2$, the sulfur-substituted derivatives exhibit smaller discharge capacities for the entire cycle range but the recovery of discharge capacity after the initial several cycles becomes faster upon sulfur substitution. The effect of the sulfur substitution on the chemical bonding nature of $LiMn_{0.9}Cr_{0.1}O_{2-x}S_x$has been investigated using X-ray absorption spectroscopic (XAS) analyses at Mn and Cr K-edges. According to Mn K-edge XAS results, the trivalent oxidation state of manganese ion remains unchanged before and after the substitution whereas the local structure around manganese ions becomes more distorted with increasing the substitution rate of sulfur. On the other hand, the replacement of oxygen with sulfur has negligible influence on the local atomic arrangement around chromium ions, which is surely due to the high octahedral stabilization energy of $Cr^{+III} $ ions. Based on the present experimental findings, we have suggested that the decrease of discharge capacity upon sulfur substitution is ascribable to the enhanced structural distortion of $MnO_6$ octahedra and/or to the formation of covalent Li-S bonds, and the accompanying improvement of cyclability would be related to the depression of Mn migration and/or to the pillaring effect of larger sulfur anion.

Half-metallicity and Magnetism at the (001) Surfaces of the Quaternary Heusler Alloys CoFeCrZ (Z = Ga, Ge): A First-principles Study (4원 호이슬러 합금 CoFeCrZ(Z = Ga, Ge)의 (001) 표면에서의 자성과 반쪽금속성: 제일원리 계산 연구)

  • Kim, Dong-Chul;Lee, Jae Il
    • Journal of the Korean Magnetics Society
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    • v.25 no.2
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    • pp.31-38
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    • 2015
  • Recently, a first-principles study led to a prediction that quaternary Heusler compounds, CoFeCrZ (Z = Ga, Ge) are excellent half-metallic ferromagnets. In this study, we investigate the electronic and the magnetic properties at the (001) surfaces of CoFeCrGa and CoFeCrGe by means of the full-potential linearized augmented plane wave (FLAPW) method within generalized gradient approximation. We considered two types of surface termination: CoFe-terminated and CrZ-terminated surfaces, Z being either Ga or Ge. From the calculated total magnetic moments and the local density of states, we found that half-metallicity is not preserved for all the surfaces. But the calculated atomic density of states showed that CrGa-terminated surface of the CoFeCrGa is almost half-metallic. The magnetic moment of the Co, Fe, or Cr atoms at the surface or subsurface layers in each system had very different values.

Detection and Analysis of the Artificial Underground Explosions in N. Korea using KSRS data. (KSRS 자료를 이용해서 북한의 인공지하폭발의 탐지 및 분석)

  • 김소구;이승규;마상윤;박용철
    • The Journal of Engineering Geology
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    • v.5 no.2
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    • pp.181-192
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    • 1995
  • The discrimination studies between earthquakes and underground nuclear explosions have been carried out by various seismologists(Nuttli and Kim, 1976; Dahiman and Israelson, 1977; Masse, 1981). The discrimination between local microearthquakes and artificial underground explosions(epicentral distance not greater than 400Km), however, has not been actively studied so far in the light of seismological aspects. Futhermore this kind of research has never been performed in Korea even if it is of great importance for IAEA (International Atomic Energy Agency) to clearly analyze the military nuclear power of North Korea at present. This research has been carried out by using some of the artificial underground explosions(about 100 events) have occurred in North Korea for the last six years. The azimuths, apparent incidence angles, epicentral distances and locations are determined using a single station of 3 - component data. The detection, location and identification are performed through the polarization and the bandpass filtering. This technique can be also applied to study the inhomogeneous crustal structure finding the converted waves.

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Spacer Grid Effects on Turbulent Flow in Rod Bundles (지지격자가 봉다발 난류유동에 미치는 영향)

  • Yang, Sun-Kyu;Chung, Moon-Ki
    • Nuclear Engineering and Technology
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    • v.28 no.1
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    • pp.56-71
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    • 1996
  • The local hydrulic characteristics in subchannels of 5$\times$5 nuclear fuel bundles with spacer grids were measured at upstream and downstream of the spacer grid for the investigation of the spacer grid effects on turbulent flow structure by using an LDV(Laser Doppler Velocimeter). The measured parameters are axial velocity and turbulent intensity, skewness factor, and flatness factor. Pressure drops were also measured to evaluate the loss coefficient for the spacer grid and the friction factor for rod bundles. From these data, it was found that the turbulent mixing and forced mixing occur up to $x/D^h=10$ and 20 from the spacer grid, respectively. The turbulence decay behind spacer grid behaves in the similar decay rate as turbulent flow through mesh grids or screens. Mixing factors useful in subchannel analysis code were correlated from the data and show the highest value near spacer grid and then have a stable values.

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Synthesis of iron nitrides powders subjected to mechanical alloying (기계적 합금화 방법에 의한 질화철 분말의 합성)

  • 이충효
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.9 no.5
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    • pp.516-520
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    • 1999
  • Mechanical alloying (MA) by planetary type ball mill of pure iron powders was carried out under the ammonia gas atmosphere. The powders of metastable iron nitrides was synthesized up to the nitrogen content of 23 at% N. The observed phases are identified as the super-saturated bcc solid solution for the nitrogen concentration below 14.5 at% N and the non-equilibrium hcp phase stable at high temperature for 20.8 at.% N. Magnetization of Fe-N powders gradually decreases with increasing the N concentration on contrast to the enhancement reported for the bct iron nitrides. Neutron diffraction experiments also provide detailed information concerning the local atomic structure surrounding the nitrogen atoms. The coordination number of Fe atom around a nitrogen atom for the iron nitride containing 9.5 at% N turns out to be 3.9 atoms. This suggests that a nitrogen atom is situated at a center of the tetrahedron formed by iron atoms.

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"Dust, Ice, and Gas In Time" (DIGIT) Herschel Observations of GSS30-IRS1 in Ophiuchus

  • Je, Hyerin;Lee, Jeong-Eun;Green, Joel D.;Evans, Neal J. II
    • The Bulletin of The Korean Astronomical Society
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    • v.39 no.1
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    • pp.63.2-63.2
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    • 2014
  • As a part of the "Dust, Ice, and Gas In Time" (DIGIT) key program on Herschel, we observed GSS30-IRS1, a Class I protostar located in Ophiuchus (d =125 pc), with Herschel/Photodetector Array Camera and Spectrometer (PACS). More than 70 lines were detected within a wavelength range from 50 ${\mu}m$ to 200 ${\mu}m$: CO lines from J = 14-13 to 41-40, several $H_2O$ lines of Eup = 100 K to 1500 K, 16 transitions of OH rotational lines, and two atomic [O I] lines at 63 and 145 ${\mu}m$. The [C II] line, known as a tracer of externally heated gas by the interstellar radiation field, is also detected at 158 ${\mu}m$. All lines, except [O I] and [C II], are detected only at the central spaxel of $9^{\prime\prime}.4{\times}9^{\prime\prime}.4$. The [O I] emission is extended along a NE-SW orientation, which is consistent with the known outflow direction, while the [C II] line is detected over all spaxels. One possible explanation of the detection of the [C II] line and no correlation of its spatial distribution with any other molecular emission is the existence of the enhanced ISRF nearby GSS30-IRS1. One interesting feature of GSS30-IRS1 is that the continuum emission is extended beyond the point-spread function (PSF), unlike the molecular line emission, indicative of significant external heating. The best-fit continuum model of GSS30-IRS1 with the physical structure including flared disk, envelope, and outflow shows that the internal luminosity is 11 $L_{\odot}$, and the region is also externally heated by a radiation field enhanced by a factor of 25 compared to the local standard interstellar field.

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Development of Simplified DNBR Calculation Algorithm using Model-Based Systems Engineering Methodology

  • Awad, Ibrahim Fathy;Jung, Jae Cheon
    • Journal of the Korean Society of Systems Engineering
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    • v.14 no.2
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    • pp.24-32
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    • 2018
  • System Complexity one of the most common cause failure of the projects, it leads to a lack of understanding about the functions of the system. Hence, the model is developed for communication and furthermore modeling help analysis, design, and understanding of the system. On the other hand, the text-based specification is useful and easy to develop but is difficult to visualize the physical composition, structure, and behaviour or data exchange of the system. Therefore, it is necessary to transform system description into a diagram which clearly depicts the behaviour of the system as well as the interaction between components. According to the International Atomic Energy Agency (IAEA) Safety Glossary, The safety system is a system important to safety, provided to ensure the safe shutdown of the reactor or the residual heat removal from the reactor core, or to limit the consequences of anticipated operational occurrences and design basis accidents. Core Protection Calculator System (CPCS) in Advanced Power Reactor 1400 (APR 1400) Nuclear Power Plant is a safety critical system. CPCS was developed using systems engineering method focusing on Departure from Nuclear Boiling Ratio (DNBR) calculation. Due to the complexity of the system, many diagrams are needed to minimize the risk of ambiguities and lack of understanding. Using Model-Based Systems Engineering (MBSE) software for modeling the DNBR algorithm were used. These diagrams then serve as the baseline of the reverse engineering process and speeding up the development process. In addition, the use of MBSE ensures that any additional information obtained from auxiliary sources can then be input into the system model, ensuring data consistency.

INTERGRANULAR CORROSION-RESISTANT STAINLESS STEEL BY GRAIN BOUNDARY ENGINEERING

  • Hiroyuki Kokawa;Masayuki Shimada;Wang, Zhan-Jie;Yutaka S. Sato
    • Proceedings of the KWS Conference
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    • 2002.10a
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    • pp.250-254
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    • 2002
  • Intergranular corrosion of austenitic stainless steels is a conventional and momentous problem during welding and high temperature use. One of the major reasons for such intergranular corrosion is so-called sensitization, i.e., chromium depletion due to chromium carbide precipitation at grain boundaries. Conventional methods for preventing sensitization of austenitic stainless steels include reduction of carbon content in the material, stabilization of carbon atoms as non-chromium carbides by the addition of titanium, niobium or zirconium, local solution-heat-treatment by laser beam, etc. These methods, however, are not without drawbacks. Recent grain boundary structure studies have demonstrated that grain boundary phenomena strongly depend on the crystallographic nature and atomic structure of the grain boundary, and that grain boundaries with coincidence site lattices are immune to intergranular corrosion. The concept of "grain boundary design and control", which involves a desirable grain boundary character distribution, has been developed as grain boundary engineering. The feasibility of grain boundary engineering has been demonstrated mainly by thermomechanical treatments. In the present study, a thermomechanical treatment was tried to improve the resistance to the sensitization by grain boundary engineering. A type 304 austenitic stainless steel was pre-strained and heat-treated, and then sensitized, varying the parameters (pre-strain, temperature, time, etc.) during the thermomechanical treatment. The grain boundary character distribution was examined by orientation imaging microscopy. The intergranular corrosion resistance was evaluated by electrochemical potentiokinetic reactivation and ferric sulfate-sulfuric acid tests. The sensitivity to intergranular corrosion was reduced by the thermomechanical treatment and indicated a minimum at a small roll-reduction. The frequency of coincidence-site-lattice boundaries indicated a maximum at a small strain. The ferric sulfate-sulfuric acid test showed much smaller corrosion rate in the thermomechanically-treated specimen than in the base material. An excellent intergranular corrosion resistance was obtained by a small strain annealing at a relatively low temperature for long time. The optimum parameters created a uniform distribution of a high frequency of coincidence site lattice boundaries in the specimen where corrosive random boundaries were isolated. The results suggest that the thermomechanical treatment can introduce low energy segments in the grain boundary network by annealing twins and can arrest the percolation of intergranular corrosion from the surface.

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