• Title/Summary/Keyword: X-ray method

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Quantum Chemical Calculations of the Effect of Si-O Bond Length on X-ray Raman Scattering Features for MgSiO3 Perovskite (양자화학계산을 이용한 Si-O 결합길이가 MgSiO3 페로브스카이트의 X-선 Raman 산란 스펙트럼에 미치는 영향에 대한 연구)

  • Yi, Yoo Soo;Lee, Sung Keun
    • Journal of the Mineralogical Society of Korea
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    • v.27 no.1
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    • pp.1-15
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    • 2014
  • Probing the electronic structures of crystalline Mg-silicates at high pressure is essential for understanding the various macroscopic properties of mantle materials in Earth's interior. Quantum chemical calculations based on the density functional theory are used to explore the atomic configuration and electronic structures of Earth materials at high pressure. Here, we calculate the partial density of states (PDOS) and O K-edge energy-loss near-edge structure (ELNES) spectra for $MgSiO_3$ perovskite at 25 GPa and 120 GPa using the WIEN2k program based on the full-potential linearized projected augmented wave (FP-LPAW) method. The calculated PDOS and O K-edge ELNES spectra for $MgSiO_3$ Pv show significant pressure-induced changes in their characteristic spectral features and relative peak intensity. These changes in spectral features of $MgSiO_3$ Pv indicate that the pressure-induced changes in local atomic configuration around O atoms such as Si-O, O-O, and Mg-O length can induce the significant changes on the local electronic structures around O atoms. The result also indicates that the significant changes in O K-edge features can results from the topological densification at constant Si coordination number. This study can provide a unique opportunity to understand the atomistic origins of pressure-induced changes in local electronic structures of crystalline and amorphous $MgSiO_3$ at high pressure more systematically.

Photocurrent study on the splitting of the valence band and growth of $ZnIn_{2}Se_{4}$ single crystal thin film by hot wall epitaxy (Hot wall epitaxy(HWE)법에 의한 $ZnIn_{2}Se_{4}$ 단결정 박막 성장과 가전자대 갈라짐에 대한 광전류 연구)

  • Hong, Kwang-Joon
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.18 no.5
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    • pp.217-224
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    • 2008
  • A stoichiometric mixture of evaporating materials for $ZnIn_2Se_4$ single crystal thin films was prepared from horizontal electric furnace. To obtain the single crystal thin films, $ZnIn_2Se_4$ mixed crystal was deposited on thoroughly etched semi-insulating GaAs(100) substrate by the Hot Wall Epitaxy (HWE) system. The source and substrate temperatures were $630^{\circ}C$ and $400^{\circ}C$, respectively. The crystalline structure of the single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The carrier density and mobility of $ZnIn_2Se_4$ single crystal thin films measured from Hall effect by van der Pauw method are $9.41\times10^{16}cm^{-3}$ and $292cm^2/v{\cdot}s$ at 293 K, respectively. The temperature dependence of the energy band gap of the $ZnIn_2Se_4$ obtained from the absorption spectra was well described by the Varshni's relation, $E_g(T)=1.8622eV-(5.23\times10^{-4}eV/K)T^2/(T+775.5K)$. The crystal field and the spin-orbit splitting energies for the valence band of the $ZnIn_2Se_4$ have been estimated to be 182.7 meV and 42.6 meV, respectively, by means of the photocurrent spectra and the Hopfield quasicubic model. These results indicate that the splitting of the ${\Delta}so$ definitely exists in the ${\Gamma}_5$ states of the valence band of the $ZnIn_2Se_4/GaAs$ epilayer. The three photo current peaks observed at 10 K are ascribed to the $A_{1}-$, $B_{1}-exciton$ for n = 1 and $C_{27}-exciton$ peaks for n = 27.

Catalytic Combustion of Methane over $AMnAl_{11}O_{19}$(A=La, Sr, Ba) and $CeO_2/LaAMnAl_{11}O_{19}$ ($AMnAl_{11}O_{19}$(A=La, Sr, Ba) 및 $CeO_2/LaAMnAl_{11}O_{19}$를 이용한 메탄의 촉매 연소)

  • Kim, Seongmin;Lee, Joon Yeob;Cho, In-Ho;Lee, Dae-Won;Lee, Kwan-Young
    • Korean Chemical Engineering Research
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    • v.49 no.5
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    • pp.633-638
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    • 2011
  • Mn substituted La, Sr or Ba-hexaaluminate were prepared by $(NH_4)_2CO_3$ co-precipitate method and calcined at $1,200^{\circ}C$ for 5 h. Catalysts were characterized by X-ray diffraction and $N_2$ physisorption and scanning electron microscope (SEM). Compared to $SrMnAl_{11}O_{19}$ and $BaMnAl_{11}O_{19}$, $LaMnAl_{11}O_{19}$ in which La located at mirror plane showed better crystallinity and high surface area, 13 $m^2/g$. $LaMnAl_{11}O_{19}$ revealed well developed plate-like structure which is characteristic structure of hexaaluminate. The catalytic activity of methane combustion increased in the following order: $LaMnAl_{11}O_{19}$ > $SrMnAl_{11}O_{19}$ > $BaMnAl_{11}O_{19}$ and was dependent on surface area of catalysts. 60 wt% $CeO_2/LaMnAl_{11}O_{19}$ calcined at $700^{\circ}C$ showed enhanced methane activity and methane was oxidized completely at low temperature ($700^{\circ}C$). It was confirmed that addition of ceria seems to be effective for the low and middle temperature combustion of methane. But, after calcination at high temperature of $1,200^{\circ}C$, it lost the promoting effect of ceria due to increase of ceria particle size and it had a limit to applying to the high temperature catalytic combustion.

The Antimicrobial Effect of Water Soluble Chitosan (수용성 키토산의 항균효과)

  • Jung, Byung-Ok;Lee, Young-Moo;Kim, Jae-Jin;Choi, Young-Ju;Jung, Kyung-Ja;Kim, Je-Jung;Chung, Suk-Jin
    • Applied Chemistry for Engineering
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    • v.10 no.5
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    • pp.660-665
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    • 1999
  • Structure of water soluble chitosan (WSC) was confirmed by Fourier transform infrared spectrometer (FT-IR), X-ray diffractometer and thermal analyser. The viscosity average molecular weight of WSC ranged from $3.0{\times}10^{4}$ to $4.5{\times}10^{4}$. Using the WSC having viscosity average molecular weight of $3.0{\times}10^{4}$, the antimicrobacterial effects against microorganism and oral microorganism showed 81.7% and 80.6% for Staphyloccus aureus and Bacillus subtilis, respectively, while the anitmicrobacterial effect exhibited 100% and 73.8% against Streptococcus mutans and Streptococcus sanguis, respectively. Therefore it is concluded that WSC is more effective against oral microorganism that microorganism in terms of antimicrobacterial effects. WSC sample with the viscosity average molecular weight of $4.5{\times}10^{4}$ exhibited a half of the antimicrobacterial effect of the low MW sample, indicating that the WSC with low MW was better than that with high MW. Chitin and chitosan showed a drastic decrease of acidity from pH 7.0 to 4.9 after 8 minute incubation time and reached an equilibrium after that. WSC, however, restrained pH of the sample from lowering up to about 16 minutes of incubation and reached an equilibrium after that. WSC obviously showed a buffering effect against pH change.

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Growth and Photocurrent Properties of CdIn2S4/GaAs Single Crystal Thin Film by Hot Wall Epitaxy (Hot Wall Epitaxy 법에 의한 CdIn2S4 단결정 박막의 성장과 광전류 특성)

  • Lee, Sang-Youl;Hong, Kwang-Joon;Park, Jin-Sung
    • Journal of Sensor Science and Technology
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    • v.11 no.5
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    • pp.309-318
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    • 2002
  • A stoichiometric mixture of evaporating materials for $CdIn_2S_4$ single crystal thin films was prepared from horizontal electric furnace. To obtain the single crystal thin films, $CdIn_2S_4$ mixed crystal was deposited on thoroughly etched semi-insulating GaAs(100) substrate by the Hot Wall Epitaxy (HWE) system. The source and substrate temperatures were $630^{\circ}C$ and $420^{\circ}C$, respectively. The crystalline structure of the single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The carrier density and mobility of $CdIn_2S_4$ single crystal thin films measured with Hall effect by van der Pauw method are $9.01{\times}10^{16}\;cm^{-3}$ and $219\;cm^2/V{\cdot}s$ at 293 K, respectively. The temperature dependence of the energy band gap of the $CdIn_2S_4$ obtained from the absorption spectra was well described by the Varshni's relation, $E_g(T)=2.7116\;eV-(7.74{\times}10^{-4}\;eV)T^2/(T+434)$. The crystal field and the spin-orbit splitting energies for the valence band of the $CdIn_2S_4$ have been estimated to be 0.1291 eV and 0.0248 eV, respectively, by means of the photocurrent spectra and the Hopfield quasi cubic model. These results indicate that the splitting of the ${\Delta}so$ definitely exists in the ${\Gamma}5$ states of the valence band of the $AgInS_2$/GaAs epilayer. The three photocurrent peaks observed at 10K areascribed to the $A_1$-, $B_1$-, and C1-exciton peaks for n = 1.

A comparative study of electroplating and electroless plating for diameter increase of orthodontic wire (교정용 선재의 직경 증가를 위한 전기도금법과 무전해도금법의 비교연구)

  • Kim, Jae-Nam;Cho, Jin-Hyoung;Sung, Young-Eun;Lee, Ki-Heon;Hwang, Hyeon-Shik
    • The korean journal of orthodontics
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    • v.36 no.2 s.115
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    • pp.145-152
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    • 2006
  • The purpose of this study was to evaluate electroless plating as a method of increasing the diameter of an orthodontic wire in comparison with eletroplating. After pretreatment plating of the 0.016 inch stainless steel orthodontic wire, electroless plating was performed at $90^{\circ}C$ until the diameter of the wire was increased to 0.018 inch. During the process of electroless plating, the diameter of the wire was measured every 5 minutes to examine the increasing ratio of the wire's diameter per time unit. And to examine the uniformity, the diameter at 3 points on the electroless-plated orthodontic wire was measured. An X-ray diffraction test for analyzing the nature of the plated metal and a 3-point bending test for analyzing the physical property were performed. The electroless-plated wire group showed a increased tendency for stiffness, yield strength, and ultimate strength than the electroplated wire group. And there was a statistically significant difference between the two groups for stiffness and ultimate strength. In the electroless-plated wire group, the increasing ratio of the diameter was $0.00461{\pm}0.00003mm/5min$ (0.00092 mm/min). In the electroplated wire group, it was $0.00821{\pm}0.00015mm/min$. The results of the uniformity test showed a tendency for uniformity in both the plating methods. The results of this study suggest that electroless plating of the wire is closer to the ready-made wire than electroplating wire in terms of the physical property. However, the length of plating time needs further consideration for the clinical application of electroless plating.

Heavy Metal Contamination of Soils and Stream Sediments at the Sanggok Mine Drainage, Upper Chungju Lake, Korea (충주호 상류, 상곡광산 수계에 분포하는 토양과 하상퇴적물의 중금속 오염)

  • 이현구;이찬희
    • Journal of the Korean Society of Groundwater Environment
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    • v.5 no.1
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    • pp.10-20
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    • 1998
  • Heavy metal contamination in subsurface soils and stream sediments at the Suggok mine area were investigated on the basis of major, trace and rare earth elements geochemistry and mineralogy. The Sanggok mine area is mainly composed of Cambro-Ordovician carbonate rocks. The mine had been mined for Pb-Zn-Fe and Au- Ag, but already closed in past. For major elements, especially Fe (mean value=18.58 wt.%) and Mn (mean value=4. 18 wt.%) are enriched in soils, and the average enrichment indices of soils and sediments are 6.84 and 1.54, respectively. The average enrichment index of rare earth elements are 0.92 of mining drainage sediments and 0.52 of subsurface soils on the tailing dam. Concentrations of minor and/or environmental toxic elements in those samples range from 29 to 3400 for As,1 to 11 for Cd, 35 to 292 for Cu, 50 to 1827 for Pb, 1 to 22 for Sb and 112 to 2644 for Zn. Extremely high concentrations (mean values) are found in subsurface soils on the tailing dam (As=2278, Cd=7, Cu=206, Pb=1372, Sb=14 and Zn=2231 ppm, respectively). Average enrichment index normalized by composition of non-mining drainage sediments is 2.42 in mining drainage sediments and 25.47 in subsurface soils on the tailing dam. Based on EPA value, enrichment index of toxic elements is 0.53 in non-mining drainage sediments, 1.84 in mining drainage sediments and 23.71 in subsurface soils on the tailing dam. As a results from X-ray powder diffraction method, mineral composition of soils and sediments near the mine area varied in part, and are calcite, dolomite, magnesite, quartz, mica, chlorite and clay minerals. With the separation of heavy minerals, soils and sediments of highly concentrated toxic elements included some pyrite, arsenopyrite, sphalerite, galena, goethite and hydroxide minerals on the polished sections.

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A study on the fixation of heavy metals with modified soils in the landfill liner (개량혼합토를 이용한 폐기물 매립지 차수층의 중금속 고정능력에 관한 연구)

  • 노회정;이재영
    • Journal of Soil and Groundwater Environment
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    • v.7 no.2
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    • pp.63-71
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    • 2002
  • The authors selected the modified soil method, and then performed the geotechnical and environmental laboratory test, and evaluated whether the modified soil liner could be accepted as a barrier layer in landfill. Unlike the results of the natural soil(CL), those of the hydraulic conductivity test of stabilized soil met the standard value. According to these results, the optimal mixing ratio of a mixture(cement : bentonite : stabilizing agent) was 90 : 60 : 1 with mass ratio(kg) for 1㎥ with soil, and it was possible to use poor quality bentonite. B\circled2 because of a little difference from results with high quality bentonite. B\circled1. The Cation Exchange Capacity(CEC) of the modified soil was increased about 1.5 times compared with the natural soil; however. the change of CEC with a sort of additives was not detected. In order to observe the change of the chemical components and crystal structures, the natural and the modified soils with the sorts of additives were measured by the XRF(X-Ray Flourescence Spectrometer) and SEM, but there was no significant change. The artificial leachate with the heavy meals ($Pb^{2+}$ , $Cu^{2+}$, $Cd^{2+}$ Zn$^{2+}$ 100mg/L) was passed through the natural soil and modified soils in columns. In the natural soil, Cd$^{2+}$ and $Zn^{2+}$ were identified, simultaneously the pH of outflow was lower, and then came to the breakthrough point. The removal efficiency of the natural soil was showed in order of following : $Pb^{2+}$$Cu^{2+}$ > $Zn^{2+}$ > $Cd^{2+}$ On the other hand, modified soils were not showed the breakthrough condition like the result of the natural soil. The modified soil with the lower quality bentonite, B\circled2(column3) was more stable with respect to chemical attack than that with the higher bentonite, B\circled1(column2) because the change range of outflow pH in columns was less than that of outflow pH in column2. In addition, the case of adding the stabilizing agent(column4) was markedly showed the phenomena.ena.

Growth and optical conductivity properties for MnAl2S4 single crystal thin film by hot wall epitaxy method (Hot Wall Epitaxy(HWE)법에 의한 MnAl2S4 단결정 박막 성장과 광전도 특성)

  • You, Sangha;Lee, Kijeong;Hong, Kwangjoon;Moon, Jongdae
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.24 no.6
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    • pp.229-236
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    • 2014
  • A stoichiometric mixture of evaporating materials for $MnAl_2S_4$ single crystal thin films was prepared from horizontal electric furnace. To obtain the single crystal thin films, $MnAl_2S_4$ mixed crystal was deposited on thoroughly etched semi-insulating GaAs(100) substrate by the Hot Wall Epitaxy (HWE) system. The source and substrate temperatures were $630^{\circ}C$ and $410^{\circ}C$, respectively. The crystalline structure of the single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The temperature dependence of the energy band gap of the $MnAl_2S_4$ obtained from the absorption spectra was well described by the Varshni's relation, $E_g(T)=3.7920eV-5.2729{\times}10^{-4}eV/K)T^2/(T+786 K)$. In order to explore the applicability as a photoconductive cell, we measured the sensitivity (${\gamma}$), the ratio of photocurrent to dark current (pc/dc), maximum allowable power dissipation (MAPD) and response time. The results indicated that the photoconductive characteristic were the best for the samples annealed in S vapour compare with in Mn, Al, air and vacuum vapour. Then we obtained the sensitivity of 0.93, the value of pc/dc of $1.10{\times}10^7$, the MAPD of 316 mW, and the rise and decay time of 14.8 ms and 12.1 ms, respectively.

The Prognostic Factors Affecting Survival in Muscle Invasive Bladder Cancer Treated with Radiotherapy (방사선치료를 받은 근 침윤성 방광암의 예후 인자)

  • Chung Woong-Ki;Oh Bong-Ryoul;Ahn Sung Ja;Nah Byung Sik;Kwon Dong-Deuk;Park Kwangsung;Ryu Soo-Bang;Park Yang-IL
    • Radiation Oncology Journal
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    • v.20 no.2
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    • pp.130-138
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    • 2002
  • Purpose : This study analyzed the prognostic factors affecting the survival rate and evaluated the role of radiation therapy in muscle-invading bladder cancer. Materials and Methods : Twenty eight patients with bladder cancer who completed planned definitive radiotherapy in the Departments of Therapeutic Radiology and Urology, Chonnam National University Hospital between Jan. 1986 to Dec. 1998 were retrospectively analyzed. The reviews were peformed based on the patients' medical records. There were 21 males and 7 females in this study. The median of age was 72 years old ranging from 49 to 84 years. All patients were confirmed as having transitional cell carcinoma with histological grade 1 in one patient, grade 2 in 15, grade 3 in 9, and uninformed in 3. Radiation therapy was peformed using a linear accelerator with 6 or 10 MV X-rays. Radiation was delivered daily with a 1.8 or 2.0 Gy fraction size by 4 ports (anterior-posterior, both lateral, alternatively) or 3 ports (Anterior and both lateral). The median radiation dose delivered to the isocenter of the target volume was 61.24 Gy ranging from 59 to 66.6 Gy. The survival rate was calculated by the Kaplan-Meier method. Multivariate analysis was peformed on the prognostic factors affecting the survival rate. Results : The survival rate was $76\%,\;46\%,\;33\%,\;33\%$ at 1, 2, 3, 5 years, respectively, with 19 months of median survival. The potential factors of age (less than 70 years vs above 70), sex, diabetes mellitus, hypertension, hydronephrosis, 1-stage (T3a vs T3b), TUR, chemotherapy, total duration of radiotherapy, radiation dose (less than 60 Gy vs above 60 Gy), and the treatment response were investigated with uniand multivariate analysis. Un univariate analysis, the T-stage (p=0.078) and radiation dose (p=0.051) were marginally significant, and the treatment response (p=0.011) was a statistically significant factor on the survival rate. Multivariate analysis showed there were no significant prognostic factors affecting the survival rate. Conclusion : The treatment response and radiation dose are suggested as th은 statistically significant factors affecting the survival rate of muscle invasive bladder cancer. A Further prospective randomized study is needed to confirm these prognostic factors.