• 제목/요약/키워드: Structure refinement

검색결과 321건 처리시간 0.023초

Rietveld Analysis of Nano-crystalline MnFe2O4 with Electron Powder Diffraction

  • Kim, Jin-Gyu;Seo, Jung-Wook;Cheon, Jin-Woo;Kim, Youn-Joong
    • Bulletin of the Korean Chemical Society
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    • 제30권1호
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    • pp.183-187
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    • 2009
  • The structure of nano-crystalline $MnFe_2O_4$ was determined and refined with electron powder diffraction data employing the Rietveld refinement technique. A nano-crystalline sample (with average crystal size of about 10.9 nm) was characterized by selected area electron diffraction in an energy-filtering transmission electron microscope operated at 120 kV. All reflection intensities were extracted from a digitized image plate using the program ELD and then used in the course of structure refinements employing the program FULLPROF for the Rietveld analysis. The final structure was refined in space group Fd-3m (# 227) with lattice parameters a=8.3413(7) $\AA$. The reliability factors of the refinement are $R_F$=7.98% and $R_B$=3.55%. Comparison of crystallographic data between electron powder diffraction data and reference data resulted in better agreement with ICSD-56121 rather than with ICSD-28517 which assumes an initial structure model.

Local Structure Refinement of the $BaFe_{1-x}Sn_xO_{3-y}$ System with Fe K-Edge X-Ray Absorption (XANES/EXAFS) Spectroscopy

  • 김민규;곽기섭;로권선;여철현
    • Bulletin of the Korean Chemical Society
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    • 제18권7호
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    • pp.743-749
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    • 1997
  • Local structure refinement of the BaFe1-xSnxO3-y system (x=0.00-0.50) has been carried out with Fe K-edge x-ray absorpion spectroscopic studies. It is found out that the Fe ions are placed in two different symmetric sites such as tetrahedral and octahedral sites in the compounds by comparison with Fe K-edge x-ray absorption near edge structure (XANES) spectrum of the γ-Fe2O3 compound as a reference. Small absorption peaks of dipole-forbiden transitions appear at a pre-edge region of 7111 eV due to the existence of Fe ions in the tetrahedral and octahedral sites. The peak intensity decreases with the substitution amount of Sn ion. Three different absorption peaks of 1s→4p dipole-allowed transition appear on the energy region between 7123 and 7131 eV. The peaks correspond to 1s→4p main transition of Fe ions in tetrahedral and octahedral sites and 1s→4p transition followed by the shakedown process of ligand to metal charge transfer. The bond distances between Fe ions in the tetrahedral site and nearest neighboring oxygen atom (Fe-4O), and those in octahedral site (Fe-6O) are determined with the extended x-ray absorption fine structure (EXAFS) analysis. Two different interatomic distances increase with the substitution amount of Sn ion and also the bond lengths of Fe-4O are shorter than those of Fe-6O in all compounds.

Effect of Ti, B, Zr Elements on Grain Refinement and Castability of Al-4wt%Mg-0.9wt%Si-0.3wt%Mn-0.15wt%Fe Casting Alloy (주조용 Al-4wt%Mg-0.9wt%Si-0.3wt%Mn-0.15wt%Fe 합금의 결정립 미세화와 주조특성에 미치는 Ti, B, Zr 첨가원소의 영향)

  • Kim, Heon-Joo;Park, Su-Min
    • Journal of Korea Foundry Society
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    • 제35권5호
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    • pp.120-127
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    • 2015
  • The effects of Ti, B and Zr on grain refinement and castability were investigated in Al-4wt%Mg-0.9wt%Si-0.3wt%Mn-0.15wt%Fe alloy. Measurement of cooling curve and micro-structure observation were performed to analyze the effects of the addition of minor elements Ti, B and Zr during solidification. The prominence of effect on grain refinement was in increasing order for Ti, Zr and B element. Fine grain size and an increase of the crystallization temperature for ${\alpha}$-Al solution were evident as the amount of addition elements increased in this study. Addition of 0.15wt% Ti was most effective for grain refinement, and the resulting grain size of ${\alpha}$-Al solution for shell mold and steel mold were $72.3{\mu}m$ and $23.5{\mu}m$, respectively. Fluidity and shrinkage tests were perform to evaluate the castability of the alloy. Maximum fluidity length and minimum ratio of micro shrinkage were recorded for 0.15wt% Ti addition due to the effect of the finest grain size.

Crystal structure refinement and synthesis of $LiAl_5O_8-LiFe_5O_8$ ($LiAl_5O_8-LiFe_5O_8$ 합성과 결정구조 해석)

  • 조남웅;김찬욱;장세기;유광수
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • 제7권2호
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    • pp.244-252
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    • 1997
  • The pseudo-spinel type solid solution, $LiAl_{2.5}/Fe_{2.5}O_8$ was prepared by reaction of $LiCO_3, Al_2O_3, Fe_2O_3$ mixture at 1620K, which can be used for cathode material in lithium batteries. Its structure was investigated by Rietveld profile-analysis of XRD in detail. The space group of solid solution is $P4_3$32(a=8.1293$\AA$) and the final residual index of structure refinement was about 5%. Cations $Al^{3+}, Fe^{3+}$ are located at both tetra- and octahedral-coordination and $Li^+$ ions are occupied in the octahedral 4b-, 12d-site of the inverse spinel.

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Structure Refinement of $SrAl_{12}O_{19}$ Magnetoplumbite Using Energy Minimization Techniques

  • Park, Jae-Gwan;A.N. Cormack
    • Korean Journal of Crystallography
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    • 제11권3호
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    • pp.173-175
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    • 2000
  • Computational technique, based on the minimization of the crystal energy with respect to atomic coordinates, are shown to reproduce successfully complex crystal structure, in this case, strontium hexaaluminate magnetoplumbite, SrAl/sub 12/O/sub 19/. The experimental crystal structure and symmetry of the complex material is well reproduced with our potential models and some crystal physical properties are calculated.

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A Refinement of Point Forecast Using Dependency Structure in Irregualr Component of BOK-X12-ARIMA

  • Hwang, S.Y.;Yang, S.K.
    • Journal of the Korean Data and Information Science Society
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    • 제17권1호
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    • pp.141-147
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    • 2006
  • BOK-X12-ARIMA has been developed by the Bank of Korea in order to accomodate special features such as lunar effect, labor day and election effect which are intrinsic in Korean seasonal time series. Irregular component resulting from BOK-X12-ARIMA is usually treated as white noise time series. If this shows dependency structure, it may be advisable to incorporate dependency in irregular component into prediction. This article illustrates how to refine point forecast using dependency structure in irregular component.

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Variable-node element families for mesh connection and adaptive mesh computation

  • Lim, Jae Hyuk;Sohn, Dongwoo;Im, Seyoung
    • Structural Engineering and Mechanics
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    • 제43권3호
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    • pp.349-370
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    • 2012
  • Variable-node finite element families, termed (4 + k + l + m + n)-node elements with an arbitrary number of nodes (k, l, m, and n) on each of their edges, are developed based on the generic point interpolation with special bases having slope discontinuities in two-dimensional domains. They retain the linear interpolation between any two neighboring nodes, and passes the standard patch test when subdomain-wise $2{\times}2$ Gauss integration is employed. Their shape functions are automatically generated on the master domain of elements although a certain number of nodes are inserted on their edges. The elements can provide a flexibility to resolve nonmatching mesh problems like mesh connection and adaptive mesh refinement. In the case of adaptive mesh refinement problem, so-called "1-irregular node rule" working as a constraint in performing mesh adaptation is relaxed by adopting the variable-node elements. Through several examples, we show the performance of the variable-node finite elements in terms of accuracy and efficiency.

Fast and Accurate Visual Place Recognition Using Street-View Images

  • Lee, Keundong;Lee, Seungjae;Jung, Won Jo;Kim, Kee Tae
    • ETRI Journal
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    • 제39권1호
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    • pp.97-107
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    • 2017
  • A fast and accurate building-level visual place recognition method built on an image-retrieval scheme using street-view images is proposed. Reference images generated from street-view images usually depict multiple buildings and confusing regions, such as roads, sky, and vehicles, which degrades retrieval accuracy and causes matching ambiguity. The proposed practical database refinement method uses informative reference image and keypoint selection. For database refinement, the method uses a spatial layout of the buildings in the reference image, specifically a building-identification mask image, which is obtained from a prebuilt three-dimensional model of the site. A global-positioning-system-aware retrieval structure is incorporated in it. To evaluate the method, we constructed a dataset over an area of $0.26km^2$. It was comprised of 38,700 reference images and corresponding building-identification mask images. The proposed method removed 25% of the database images using informative reference image selection. It achieved 85.6% recall of the top five candidates in 1.25 s of full processing. The method thus achieved high accuracy at a low computational complexity.