• Title/Summary/Keyword: atomic pair distribution function

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Nanostructural Deformation Analysis of Tricalcium Silicate Paste by Atomic Pair Distribution Function (원자짝 분포 함수를 이용한 칼슘 실리케이트 경화체의 나노 구조 변형 거동 해석)

  • Bae, Sung-Chul;Chang, Yoo-Hyun;Jee, Hyeon-Seok
    • Proceedings of the Korean Institute of Building Construction Conference
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    • 2016.10a
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    • pp.94-95
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    • 2016
  • Calcium Silicate Hydrate (C-S-H), which takes up most of the hydration products of Portland Cement (PC), has the greatest impact on the mechanical behavior and strength development of concrete. The exact mechanism of its deformation, however, has not yet been elucidated. The present study aims to demonstrate the mechanism of nano-deformation behavior of C-S-H in tricalcium silicate paste under compressive loading, unloading and reloading by interpreting atomic pair distribution function (PDF) based on synchrotron X-ray scattering. The strain of the tricalcium silicate paste for a short-range of 0 ~ 20 Å under compressive load exhibited two stages, I) nano-packing of interlayer of C-S-H and II) micro-packing of C-S-H globules, whereas the deformation for a long-range order of 20 ~ 40 Å was similar to that of a calcium hydroxide phase measured by Bragg peak shift. Moreover, the residual strains due to the plastic deformation of C-S-H was clearly observed.

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Analysis of Nano Structure of Pure C3S Paste Subjected to High Tempurature using Atomic Pair Distribution Function (원자짝 분포함수를 이용한 순수 C3S 경화체의 고온 노출 시 나노 구조에 관한 연구)

  • Jee, Hyeonseok;Suh, Heongwon;Park, Taehoon;Bae, Sungchul
    • Proceedings of the Korean Institute of Building Construction Conference
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    • 2019.11a
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    • pp.170-171
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    • 2019
  • When the cement paste in concrete is exposed to high temperatures, the mechanical performance decreases due to a series of reactions inside the cement. In this study, we investigated the change of nanostructure of $C_3S$ when $C_3S$ was exposed to high temperature using pair distribution function (PDF) based on high energy X-ray scattering. As a result of X-ray diffraction, there was no significant difference when $C_3S$ was heated at $300^{\circ}C$, but most of $Ca(OH)_2$ was decomposed into CaO at $500^{\circ}C$. In addition, it was confirmed that CaO is dominant in the nanostructure when $C_3S$ is heated to $500^{\circ}C$.

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Phase transition of (Bi, Pb)-2223 superconductor induced by Fe3O4 addition

  • Ko, Y.J.;Oh, J.Y.;Song, C.Y.;Yang, D.S.;Tran, D.H.;Kang, B.
    • Progress in Superconductivity and Cryogenics
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    • v.21 no.4
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    • pp.1-5
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    • 2019
  • We investigated the effect of Fe3O4 addition on the critical temperature of (Bi, Pb)-2223 polycrystalline samples. Bi1.6Pb0.4Sr2Ca2Cu3O10+δ + x wt. % Fe3O4 (x = 0.0, 0.2, 0.4, 0.6, and 0.8) samples were prepared by using a solid-state reaction method. The analysis of X-ray diffraction data indicates that as Fe3O4 is added, dominant phase of the sample changes from Bi-2223 to Bi-2212 with an increasing Bi-2201 phase. The transition temperature of the samples drastically decreased with the Fe3O4 addition. The resistance data of samples with x = 0.2 and 0.4 showed a double transition indicating a coexistence of Bi-2223 and Bi-2212 phase while the samples with x = 0.6 and 0.8 showed a single transition with a semiconducting behavior. This phase transition may originate from changes in local structure of the Bi-2223 system by Fe3O4 addition. Analysis of the pair distribution function of the Cu-O pair in the CuO2 plane calculated from extended X-ray absorption fine structure data revealed that the oxygen coordination of copper ion changes from CuO4 planar type (x = 0.0 - 0.4) to CuO5 pyramidal type (x = 0.6, 0.8). The correlated Debye-Waller factor, providing information on the atomic disorder within the CuO2 plane, shows an inverse relation to the coordination number. These results indicate that addition of Fe3O4 changes the oxygen distribution around Cu in the CuO2 plane, causing a phase transition from Bi-2223 to more stable Bi-2212/Bi-2201 phases.

$La_{0.7}Ca_{0.3-x}Ba_xMnO_3$ manganites : Local structure and transport properties

  • A.N.Ulyanov;Yang, Dong-Seok;Yu, Seong-Cho
    • Proceedings of the Korea Crystallographic Association Conference
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    • 2003.05a
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    • pp.8-8
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    • 2003
  • Electron-phonon interaction plays a significant role in forming of colossal magnetoresistance effect (CMR). Polaron formation was observed by neutron diffraction and by extended X-ray absorption fine structure (EXAFS) analysis. Local probe as given by the EXAFS is a useful method to study the polaronic charge and its dependence on temperature and ions size. Here we present the EXAFS study of polaronic charge in La/sub 0.7/Ca/sub 0.3-X/Ba/sub X/MnO₃ compositions. The single phase La/sub 0.7/Ca/sub 0.3-X/Ba/sub X/MnO₃ manganites (x=0; 0.03; 0.06, ..., 0.3) were prepared by ceramic technology [1]. The Curie temperature was determined by extrapolation of the temperature dependence of the magnetization (down to zero magnetization). EXAFS experiments were carried out at the 7C EC beam line of the Pohang Light Source (PLS) in Korea. The atomic pair distribution functions (PDF) were obtained by re-regularization method [2] from filtered spectra. The PDF for the x=0.3 sample showed a single peak function and for x=0.0, 0.03, 0.06, 0.09, 0.12 compositions were asymmetric in agreement with a small Jahn-Teller elongation of two (short and long) bonds of the MnO/sub 6/ octahedron. Dispersion, σ/sub Min-O//sup 2/, and asymmetry, σ/sub Min-O//sup 3/, of the Mn-O bond distances varied significantly with x and showed a maximums at x=0.09. The maximum of σ/sub Min-O//sup 2/ is caused by increase of dynamic rms displacements of the Mn-O distances near the T/sub C/. The observed x dependence of σ/sub Min-O//sup 3/ reflects the reduction of charge carriers mobility at approaching to T/sub C/ from low as well as high temperatures.

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