• Title/Summary/Keyword: Wavenumber Spectrum

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A Molecular Dynamics Simulation Study of Hydroxyls in Dioctahedral Phyllosilicates (분자동역학 시뮬레이션을 이용한 이팔면체 점토광물 수산기 연구)

  • Son, Sangbo;Kwon, Kideok D.
    • Journal of the Mineralogical Society of Korea
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    • v.29 no.4
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    • pp.209-220
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    • 2016
  • Clay minerals are a major player to determine geochemical cycles of trace metals and carbon in the critical zone which covers the atmosphere down to groundwater aquifers. Molecular dynamics (MD) simulations can examine the Earth materials at an atomic level and, therefore, provide detailed fundamental-level insights related to physicochemical properties of clay minerals. In the current study, we have applied classical MD simulations with clayFF force field to dioctahedral clay minerals (i.e., gibbsite, kaolinite, and pyrophyllite) to analyze and compare structural parameters (lattice parameter, atomic pair distance) with experiments. We further calculated vibrational power spectra for the hydroxyls of the minerals by using the MD simulations results. The MD simulations predicted lattice parameters and interatomic distances respectively deviated less than 0.1~3.7% and 5% from the experimental results. The stretching vibrational wavenumber of the hydroxyl groups were calculated $200-300cm^{-1}$ higher than experiment. However, the trends in the frequencies among different surface hydroxyl groups of each mineral was consistent with experimental results. The angle formed by the surface hydroxyl group with the (001) plane and hydrogen bond distances of the surface hydroxyls were consistent with experimental result trends. The inner hydroxyls, however, showed results somewhat deviated from reported data in the literature. These results indicate that molecular dynamics simulations with clayFF can be a useful method in elucidating the roles of surface hydroxyl groups in the adsorption of metal ions to clay minerals.

Simple Spectral Calibration Method and Its Application Using an Index Array for Swept Source Optical Coherence Tomography

  • Jung, Un-Sang;Cho, Nam-Hyun;Kim, Su-Hwan;Jeong, Hyo-Sang;Kim, Jee-Hyun;Ahn, Yeh-Chan
    • Journal of the Optical Society of Korea
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    • v.15 no.4
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    • pp.386-393
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    • 2011
  • In this study, we report an effective k-domain linearization method with a pre-calibrated indexed look-up table. The method minimizes k-domain nonlinear characteristics of a swept source optical coherence tomography (SS-OCT) system by using two arrays, a sample position shift index and an intensity compensation array. Two arrays are generated from an interference pattern acquired by connecting a Fabry-Perot interferometer (FPI) and an optical spectrum analyzer (OSA) to the system. At real time imaging, the sample position is modified by location movement and intensity compensation with two arrays for linearity of wavenumber. As a result of evaluating point spread functions (PSFs), the signal to noise ratio (SNR) is increased by 9.7 dB. When applied to infrared (IR) sensing card imaging, the SNR is increased by 1.29 dB and the contrast noise ratio (CNR) value is increased by 1.44. The time required for the linearization and intensity compensation is 30 ms for a multi thread method using a central processing unit (CPU) compared to 0.8 ms for compute unified device architecture (CUDA) processing using a graphics processing unit (GPU). We verified that our linearization method is appropriate for applying real time imaging of SS-OCT.

TEM and Raman Spectrum Characterization of 3C-SiC/Si(001) Heterostructure Grown by Chemical Vapor Deposition (화학증착 방법으로 Si(001)기판 상에 성장된 3C-SiC 이종접합 박막의 투과전자현미경 및 라만 특성분석)

  • Kim, Dong-Geun;Lee, Byeong-Taek;Mun, Chan-Gi;Kim, Jae-Geun;Jang, Seong-Ju
    • Korean Journal of Materials Research
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    • v.7 no.8
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    • pp.654-659
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    • 1997
  • HMDS[Si$_{2}$(CH$_{3}$)$_{6}$]단일 선구체를 이용하여 화학증착 방법으로 성장된 3C-SiC/Si(001) 이종접합박막의 특성을 XRD, 라만 스펙트럼 및 투과전자현미경(TEM)등을 이용하여 조사하였으며 시판되고 있는 상용 3C-SiC/Si 시편을 같은 방법으로 분석하여 특성을 비교검토하였다. $C_{3}$H$_{8}$-SiH$_{4}$-H$_{2}$혼합가스를 선구체로 이용하여 5$\mu\textrm{m}$두께로 성장된 상용 3C-SiC/Si 이종접합박막 시료의 XRD스펙트럼에서는 강한 3C-SiC(002)피크 만이 관찰되었으며, 라만 스펙트럼의 LO피크는 970nm$^{-1}$ 정도에서 강하게 나타났다. TEM 관찰 결과 다수의 전위, 쌍정, 적층결함 및 APB와 같은 결정결함들이 3C-SiC/Si 계면 근처에 집중적으로 분포되어 있었으며 성장된 박막은 단결정임을 확인할 수 있었다. 선구체로 HMDS를 사용하여 0.3$\mu\textrm{m}$ 및 2$\mu\textrm{m}$ 두께로 성장시킨 3C-SiC/Si 박막 시료의 XRD 스펙트럼은 다소 완만한 3C-SiC(002) 피크와 함께 3C-SiC(111)피크가 관찰되었으며, TEM으로 확인한 결과 소경각 결정립들이 약 5˚-10˚ 정도 방위차를 가지고 성장하여 기둥구조(columnar structure)를 이루고 있기 때문임을 알 수 있었다. 라만 스펙트럼 분석 결과 박막의 LO 피크가 967-969nm$^{-1}$정도로 다소 낮은 wavenumber쪽으로 이동되어 박막 내에 상당한 응력이 존재함을 확인할 수 있었다. 이와 같은 HMDS 3C-SiC박막의 특성은 성장 온도가 낮고 박막 성장용 가스로 사용한 HMDS 선구체에서 탄소가 과잉으로 공급되기 때문으로 제안되었다.다.

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Enhanced Recovery of Gravity Fields from Dense Altimeter Data

  • Kim, Jeong-Hee
    • Journal of the Korean Society of Surveying, Geodesy, Photogrammetry and Cartography
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    • v.14 no.2
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    • pp.127-139
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    • 1996
  • This paper presents a procedure to recover sea surface heights (SSH) and free-air (FA) gravity anomalies from dense satellite altimeter SSH data with enhanced accuracies over the full spectrum of the gravity field. A wavenumber correlation filtering (WCF) of co-linear SSH tracks is developed for the coherent signals of sub-surface geological masses. Orbital cross-over adjustments with bias parameters are applied to the filtered SSH data, which are then separated into two groups of ascending and descending tracks and gridded with tensioned splines. A directional sensitive filter (DSF) is developed to reduce residual errors in the orbital adjustments that appear as track patterned SSH. Finally, FA gravity anomalies can be obtained by the application of a gradient filter on a high resolution estimate of geoid undulations after subtracting dynamic sea surface topography (DSST) from the SSH. These procedures are applied to the Geosat Geodetic Mission (GM) data of the southern oceans in a test area of ca. $900km\;\times{1,200}\;km$ to resolve geoid undulations and FA gravity anomalies to wavelengths of-10 km and larger. Comparisons with gravity data from ship surveys, predictions by least squares collocation (LSC), and 2 versions of NOAA's predictions using vertical deflections illustrate the performance of this procedure for recovering all elements of the gravity spectrum. Statistics on differences between precise ship data and predicted FA gravity anomalies show a mean of 0.1 mgal, an RMS of 3.5 mgal, maximum differences of 10. 2 mgal and -18.6 mgal, and a correlation coefficient of 0.993 over four straight ship tracks of ca. 1,600 km where gravity changes over 150 mgals.

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Processing and Physicochemical Properties of Collagen from Yellowfin Tuna (Thunnus albacares) Abdominal Skin (황다랑어 복부 껍질을 이용한 콜라겐의 제조 및 물리화학적 특성 해석)

  • Yoo, Sung-Jae;Cho, Sueng-Mock;Woo, Jin-Wook;Kim, Sang-Ho;Han, Yoo-Na;Ahn, Ju-Ryun;Kim, Su-Yeon;Kim, Tae-Wan;Kim, Seon-Bong
    • Korean Journal of Fisheries and Aquatic Sciences
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    • v.41 no.6
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    • pp.427-434
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    • 2008
  • Processing of collagen from yellowfin tuna (Thunnus albacares) abdominal skins was optimized by response surface methodology and central composite design. The values of independent variables at optimal conditions were NaOH concentration: 0.5 N, NaOH treatment time: 36.2 hr, pepsin concentration: 1:4.9 ratio (0.245%, w/v), and digestion time: 48.1 hr, respectively. The collagen content estimated under optimal conditions was 33.1%, and the actual experimental collagen content was 32.3%. Physicochemical properties of collagen from yellowfin tuna abdominal skin were investigated by amino acids analysis, SDS-PAGE, FT-IR, viscosity and denaturation temperature. Amino acids content of the collagen was 21.0%. SDS-PAGE pattern of the collagen showed two different $\alpha$-chain (${\alpha}_1$- and ${\alpha}_2$- chain), $\beta$-component and $\gamma$-component. The spectrum of FT-IR of the collagen showed wavenumber at 3,434, 1,650, 1,542 and $1,235\;cm^{-1}$ representing the regions of amide A, I, II and III, respectively. Relative viscosity of the collagen decreased continuously on heating up to $32^{\circ}C$, and the rate of decrease was retarded in the temperature range of $35-50^{\circ}C$. Denaturation temperature (Td) of the collagen solution (0.06%, w/v) was $31^{\circ}C$ and was lower than calf skin collagen ($35^{\circ}C$).

Accuracy Verification of Theoretical Models for Estimating Microwave Reflection from Rough Sea Surfaces (거친 바다표면의 마이크로파 반사 계산을 위한 이론적 모델 정확도 검증)

  • Park, Sinmyong;Oh, Yisok
    • The Journal of Korean Institute of Electromagnetic Engineering and Science
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    • v.28 no.10
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    • pp.788-793
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    • 2017
  • This paper presents the verification of accuracies of theoretical models for calculating the microwave reflections from rough sea surfaces. First of all, the Pierson-Moskowitz ocean spectrum was used to generate the rough sea surfaces. Then the relationship between the significant wave heights, root-mean-square(RMS) heights and wind speed was derived by estimating the significant wave heights and RMS heights of the generated sea surfaces according to various wind speeds, and compared the derived relationship with other measurement data sets. The reflection coefficients of the sea surfaces were calculated by using a numerical method(the moment method). Then, the numerical results were compared with Ament model, PO(Physical Optics) model, GO(Geometrical Optics) model and B-M(Brown-Miller) model for various roughness conditions(wind speed) and incidence angles. It was found that the Ament model is not accurate except for a very low roughness conditions($kh_{rms}$<0.4, k is wavenumber and $h_{rms}$ is RMS height). It was also found that at incidence angles lower than $70^{\circ}$, the PO and the GO models agree well with the numerical results, while the B-M model agrees well with the numerical analysis results at incidence angles higher than $80^{\circ}$ for very rough sea surfaces with $kh_{rms}$>10.

Extraction and Physicochemical Properties of Collagen from Squid (Todarodes pacificus) skin and Alaska pollack (Theragra chalcogramma) skin (오징어 및 명태껍질 유래 콜라겐의 추출 및 물리화학적 특성)

  • Yang, Su Jin;Hong, Joo-Heon
    • Korean journal of food and cookery science
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    • v.28 no.6
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    • pp.711-719
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    • 2012
  • The collagens from squid (Todarodes pacificus) skin and Alaska pollack (Theragra chalcogramma) skin were extracted and their physicochemical properties were investigated. The yield was improved with the increase of NaOH concentration and was increased Neutrase than Alcalase in enzymatic hydrolysates. Protein and collagen contents from Alaska pollack skin were 38.3~62.7% and 13.1~28.9%, respectively. All enzymatic hydrolysates also showed high antioxidant activities as NaOH concentration decrease. Composition of their amino acids was mainly glycine and proline. The spectrum of FT-IR of the collagen showed wavenumber at $1,631cm^{-1}$, $1,549cm^{-1}$, $1,234cm^{-1}$ and $3,322cm^{-1}$ representing the regions of amide I, amide II, amide III and amide A, respectively. The decomposition temperature for the collagen was in the range of $300^{\circ}C$ and showed relatively good enough for their thermal stabilities.

The study of quantitative analytical method for pH and moisture of Hanji record paper using non-destructive FT-NIR spectroscopy (비파괴 분석 방법인 푸리에 변환 근적외선 분광 분석을 이용한 한지 기록물의 산성도 및 함수율 정량 분석 연구)

  • Shin, Yong-Min;Park, Soung-Be;Lee, Chang-Yong;Kim, Chan-Bong;Lee, Seong-Uk;Cho, Won-Bo;Kim, Hyo-Jin
    • Analytical Science and Technology
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    • v.25 no.2
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    • pp.121-126
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    • 2012
  • It is essential to evaluate the quality of Hanji record paper without damaging the record paper by previous destructive methods. The samples were Hanji record paper produced in the 1900s. Near-infrared (NIR) spectrometer was used as a non destructive method for evaluating the quality of record papers. Fourier transform (FT) spectrometer was used with 12,500 to 4,000 $cm^{-1}$ wavenumber range for quantitative analysis and it has high accuracy and good signal-to-noise ratio. The acidity and moisture content of Hanji record paper were measured by integrating sphere as diffuse reflectance type. The acidity (pH) of chemical factors as a quality evaluated factor of Hanji was correlated to NIR spectrum. The NIR spectrum was pretreated to obtain the coefficients of optimum correlation. Multiplicative scatter correction (MSC) and First derivative of Savitzky-Golay were used as pretreated methods. The coefficients of optimum correlation were calculated by PLSR (partial least square regression). The correlation coefficients ($R^2$) of acidity had 0.92 on NIR spectra without pretreatment. Also the standard error of prediction (SEP) of pH was 0.24. And then the NIR spectra with pretreatment would have better correlation coefficient ($R^2$ = 0.98) and 0.19 as SEP on pH. For moisture contents, the linearity correlation without pretreatment was higher than the case with pretreatment (MSC, $1^{st}$ derivative). As the best result, the $R^2$ was 0.99 and SEP was 0.45. This indicates that it is highly proper to evaluate the quality of Hanji record papers speedily with integrated sphere and FT NIR analyzer as a non-destructive method.