• Title/Summary/Keyword: Rietveld Method

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Studies on Crystallographic and Mossbauer Spectra of the LiFe0.9Mn0.1PO4 (LiFe0.9Mn0.1PO4 물질의 결정구조 및 뫼스바우어 분광 연구)

  • Kwon, Woo-Jun;Lee, In-Kyu;Rhee, Chan-Hyuk;Kim, Sam-Jin;Kim, Chul-Sung
    • Journal of the Korean Magnetics Society
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    • v.22 no.1
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    • pp.15-18
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    • 2012
  • The olivine structured $LiFe_{0.9}Mn_{0.1}PO_4$ material was prepared by solid state method, and was analyzed by x-ray diffractometer (XRD), superconducting quantum interference devices (SQUID) and Mossbauer spectroscopy. The crystal structure of $LiFe_{0.9}Mn_{0.1}PO_4$ was determined to be orthorhombic (space group: Pnma) by Rietveld refinement method. The value of N$\acute{e}$el temperature ($T_N$) for $LiFe_{0.9}Mn_{0.1}PO_4$ was determined 50 K. The temperature dependence of the magnetization curves showed magnetic phase transition from paramagnetic to antiferromagnetic at $T_N$ by SQUID measurement. M$\ddot{o}$ssbauer spectra of $LiFe_{0.9}Mn_{0.1}PO_4$ showed 2 absorption lines at temperatures above $T_N$ and showed asymmetric 8 absorption lines at temperatures below $T_N$. These spectra occurred due to the magnetic dipole and electric quardrupole interaction caused by strong crystalline field at asymmetric $FeO_6$ octahedral sites.

Polymer Films with Electrospray Deposition, model and experiment

  • Rietveld Ivo B.;Kobayashi Kei;Yamada Hirofumi;Matsushige Kazumi
    • Proceedings of the Polymer Society of Korea Conference
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    • 2006.10a
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    • pp.284-284
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    • 2006
  • Electrospray deposited films of poly(vinylidene fluoride) were prepared with various conditions. A model has been developed, which provides the state of the electrosprayed droplet at impact. With a combination of the experimental films and the model calculations, it can be shown that growth rate, the increase of the sprayed solution on the substrate per second, defines the film morphology in electrospray deposition. Growth rate indicates which factors play the main role in the film formation process. The most important factors are liquid flow, surface tension and shear rate. The model can calculate the shear rate and it is shown that PVDF, and most likely polymers in general, has a large range of growth rates, where the morphology only depends on the shear rate of the depositing droplet. This method can also be used to describe electrospray deposition of other compounds.

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Effect of Mo-doped LiFePO4 Positive Electrode Material for Lithium Batteries

  • Oh, Seung-Min;Sun, Yang-Kook
    • Journal of Electrochemical Science and Technology
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    • v.3 no.4
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    • pp.172-177
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    • 2012
  • Mo-doped $LiFePO_4$ was synthesized via co-precipitation method using sucrose as the carbon source. Structure, surface morphology, and the electrochemical properties of the synthesized olivine compounds were investigated using Rietveld refinement of X-ray diffraction data (XRD), scanning electron microscopy (SEM), and electrochemical charge-ischarge tests. Spherical morphology with the particle size of ${\sim}8{\mu}m$ authenticated the enhanced tap density and volumetric energy density of the synthesized materials. Charge-discharge behavior of $LiFePO_4$ and Mo-doped $LiFePO_4$ cells demonstrated a specific capacity of 130 and 145 mAh $g^{-1}$, respectively. Mo-doped $LiFePO_4$ cells exhibited an excellent discharge capacity at 96 mAh $g^{-1}$ at 7 C-rate.

Hydrogen Isotope Effects in Hydrogen Storage Alloy for Separation and Concentration of Hydrogen Isotopes (수소 동위체의 분리농축을 위한 수소저장합금의 수소 동위체 효과)

  • Cho, Sung-Wook
    • Journal of Hydrogen and New Energy
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    • v.14 no.4
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    • pp.327-334
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    • 2003
  • 경수소와 중수소를 사용하여 Ti1.0Mn0.9V1.1합금의 경우 313K와 353 K에서, $Ti_{1.0}Cr1.5V_{1.1}$합금의 경우 313 K와 338K에서 각각 수소 동위체 효과를 조사하였다. 합금의 결정구조, 각 상의 존재량, 격자상수 등은 Rietveld method에 의해 결정되었다. 두 합금 모두 용도에 관계 없이 중수소의 흡장량이 경수소에 비하여 많았고, 이들 합금의 수소 동위체 효과는 LaNis 합금에 비하여 대단히 크게 나타났다. 실험 온도 범위에서 $Ti_{1.0}Mn_{0.9}V_{1.1}$합금의 경수소화물은 중수소화물에 비하여 안정하였고, Ti1.0Cr1.5V1.7합금에 있어서는 중수소화물이 더욱 안정하였다. 또한 $Ti_{1.0}Cr_{1.5}V_{1.7}$합금이 $Ti_{1.0}Mn_{0.9}V_{1.1}$합금보다 많은 량의 경수소와 중수소를 흡장하였다.

Mössbauer Study of Two Discernable Fe Sites in CaFe2O4

  • Yoon, Sung-Hyun
    • Journal of Magnetics
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    • v.14 no.2
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    • pp.86-89
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    • 2009
  • Structural and magnetic properties of polycrystalline $CaFe_2O_4$ prepared by the solid state reaction method were studied using powder X-ray diffraction (XRD) and $M{\ddot{o}}ssbauer$ spectroscopy. The structure of $CaFe_2O_4$ belongs to an orthorhombic system (space group: Pnma) with the lattice parameters $a=9.2373\;{\AA}$, $b=3.0237\;{\AA}$, and $c=10.7124\;{\AA}$. Results of structural refinement indicate, however, that there are two slightly different iron sites in the sample. The $M{\ddot{o}}ssbauer$ spectrum at 4.2 K shows a hyperfine sextet with a hyperfine magnetic field and an isomer shift of 47.3 T and 0.36 mm/s, respectively. An examination of the spectrum revealed that the line widths of the spectral lines were not uniform. The degree of asymmetric line broadening decreases with increasing temperature, suggesting that the difference in the degree of crystalline distortions between two $FeO_6$ octahedra is eliminated as the temperature rises.

Solvothermal Synthesis and Characterization of Nano-sized Barium Titanate Powder

  • Choi, Kyoon;Kwon, Soon-Gyu;Kim, Byung-Ik
    • Proceedings of the Korean Powder Metallurgy Institute Conference
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    • 2006.09a
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    • pp.124-125
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    • 2006
  • Multilayer ceramic capacitor (MLCC) miniaturization has increased the demand for superfine $BaTiO_3$ powder due to its thin dielectric layer. Hydrothermally synthesized $BaTiO_3$ powder a pseudo-cubic phase resulting in poor dielectric properties due to size effect and hydroxyl ion inclusion in the $BaTiO_3$ lattice. We attempted a superfine (lower than 100 nm) highly tetragonal $BaTiO_3$ powder via a solvothermal method without precipitating agent. The lattice parameters and the relative amounts of tetragonal and cubic phases were determined using Rietveld refinement.

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Quantitative Analysis of Hydrate of Sugar-based Super Retardign Agent Mixed Cement Paste Using Rietveld Method (리트벨트법을 이용한 당류계 초지연성 혼화제 혼입 시멘트 페이스트의 수화생성물 정량 분석)

  • Hyun, Seung-Yong;Hu, Yun-yao;Kim, Su-Hoo;Kim, Jong;Han, Min-Cheol;Han, Cheon-Goo
    • Proceedings of the Korean Institute of Building Construction Conference
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    • 2021.11a
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    • pp.74-75
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    • 2021
  • This study attempted to study the setting time and compressive strength according to the sugar type through XRD. Setting time was found to be delayed the most when mixing white sugar, and setting time was promoted when mixing Saccharin and Aspartame. It was found that when white sugar and Grosvener siraitia were mixed, the compressive strength was higher than that of Control. Aspartame the age passed, C3S decreased and Ca(OH)2 increased.

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Synthesis and Structure of the Layered Cathode Material $Li[Li_xMn_{1-x-y}Cr_y]O_2$ for Rechargeable Lithium Batteries (리튬2차전지용 양극 소재 $Li[Li_xMn_{1-x-y}Cr_y]O_2$의 합성 및 층상구조 연구)

  • 최진범;박종완;이승원
    • Journal of the Mineralogical Society of Korea
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    • v.16 no.3
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    • pp.223-232
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    • 2003
  • The co-precipitation method is applied to synthesize the cathode material Li[L $i_{x}$M $n_{1-x-y}$C $r_{y}$ ] $O_2$ for lithium rechargeable batteries at $650^{\circ}C$ (CR650) and 8$50^{\circ}C$ (CR850), respectively. Rietveld indices indicate that $R_{wp}$ with respect to $R_{exp}$ ( $R_{wp}$/ $R_{exp}$) are 9.2%/10.1% for CR650 and 15.9%/9.76% for CR850, respectively. $R_{B}$ and S (GofF) shows 10.9%, 8.54% and 1.9, 1.6, respectively. Rietveld structure refinement reveals that layer structure of LiMn $O_2$ (R3m) coexists with lower symmetry of Li[L $i_{1}$3/M $n_{2}$3/] $O_2$ (C2/c) due to superlattice ordering of Li and Mn in metal-transition containing layers. Unit-cell parameters are calculated as a=2.8520(2)$\AA$, c=14.248(2)$\AA$, V=100.40(l)$\AA^3$ for CR650, and a=2.8504(1)$\AA$, c=14.2371(7)$\AA$, V=100.179(8)$\AA^3$ for CR850. Final chemistry is obtained as Li[L $i_{0.35}$M $n_{0.56}$C $r_{0.09}$] $O_2$ (CR650) and Li[L $i_{0.27}$M $n_{0.61}$C $r_{0.13}$] $O_2$ (CR850), respectively.y...y..vely.y...y..

Application of a Dynamic-Nanoindentation Method to Analyze the Local Structure of an Fe-18 at.% Gd Cast Alloy

  • Choi, Yong;Baik, Youl;Moon, Byung M.;Sohn, Dong-Seong
    • Nuclear Engineering and Technology
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    • v.49 no.3
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    • pp.576-580
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    • 2017
  • A dynamic nanoindentation method was applied to study an Fe-18 at.% Gd alloy as a neutron-absorbing material prepared by vacuum arc-melting and cast in a mold. The Fe-18 at.% Gd cast alloy had a microstructure with matrix phases and an Fe-rich primary dendrite of $Fe_9Gd$. Rietveld refinement of the X-ray spectra showed that the Fe-18 at.% Gd cast alloy consisted of 35.84 at.% $Fe_3Gd$, 6.58 at.% $Fe_5Gd$, 16.22 at.% $Fe_9Gd$, 1.87 at.% $Fe_2Gd$, and 39.49 at.% ${\beta}-Fe_{17}Gd_2$. The average nanohardness of the primary dendrite phase and the matrix phases were 8.7 GPa and 9.3 GPa, respectively. The fatigue limit of the matrix phase was approximately 37% higher than that of the primary dendrite phase. The dynamic nanoindentation method is useful for identifying local phases and for analyzing local mechanical properties.

An XRD Study on the Structures of Ferrites : Hematite, Ba-ferrite and Zn2Y(Ba2Zn2Fe12O22) (분말 X-선 회절법에 의한 페라이트의 구조 연구 : 헤마타이트, 바륨페라이트, Zn2Y(Ba2Zn2Fe12O22))

  • 신형섭;권순주
    • Journal of the Korean Ceramic Society
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    • v.30 no.6
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    • pp.499-509
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    • 1993
  • Structures of hematite(${\alpha}$-Fe2O3), Ba-ferrite(BaFe12O19) and Zn2Y(Ba2Zn2Fe12O22) were studied by powder X-ray diffraction(XRD) method. Powder XRD patterns of the ferrites were analyzed with the Rietveld method, and the final refined R-factors were RWP<0.01 and RI<0.03. The lattice parameters refined with hexagonal crystal system were a=5.0342${\AA}$, c=13.746${\AA}$ for hematite, a=5.8928${\AA}$, c=23.201${\AA}$ for Ba-ferrite, and a=5.8763${\AA}$, c=43.567${\AA}$ for Zn2Y. In the hematite, the oxygen parameter is 0.3072 and the Fe-O distances in FeO6octahedron are 1.941${\AA}$ and 2.118${\AA}$, close to the single crystal data of Blake et al.. In the Ba-ferrite, the Fe atom in oxygen trigonal bipyramid is displaced 0.155${\AA}$ away from the BaO3 mirror plane into 4e position. In the Zn2Y, 75% of Zn is located at the oxygen terahedral site in S-block.

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