• Title/Summary/Keyword: 스펙트럼 밀도 함수

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Local Electronic Structures of $SiO_2$ Polymorph Crystals: Insights from O K-edge Energy-Loss Near-Edge Spectroscopy (산소 K-전자껍질 에너지-손실 흡수끝-부근 구조 양자계산을 이용한 $SiO_2$ 동질이상 광물의 전자구조 연구)

  • Yi, Yoo-Soo;Lee, Sung-Keun
    • Journal of the Mineralogical Society of Korea
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    • v.23 no.4
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    • pp.403-411
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    • 2010
  • Essentials of understanding the geochemical evolution and geophysical processes in Earth's system are macroscopic properties and atomistic (and electronic) structures of Earth materials. Recent advances in quantum calculations based on the density functional theory allow us to unveil the previously unknown details of local atomic structures in diverse silicates in Earth's interior. Here, we report the O K-edge ELNES (energy-loss near-edge structure; ELNES) spectra and PLDOS (partial local density of states) for oxygen atoms in ${\alpha}$-quartz and stishovite using the quantum calculations based on FP-LAPW (full potential linearized augmented plane wave). The calculated O K-edge ELNES spectrum of ${\alpha}$-quartz shows a strong peak at ~538 eV due to comer-sharing oxygen linking two $SiO_4$ tetrahedra and that for stishovite shows two distinct peaks at ~537 and ~543 eV corresponding to edge-sharing oxygen linking $SiO_6$ octahedra. The significant differences in spectral features of O K-edge ELNES spectra suggest that the O K-edge features can be useful indicator to distinguish various oxygen sites in diverse crystal and amorphous silicates in the Earth's interior.

Valence Band Photoemission Study of Co/Pd Multilayer (광전자분광법을 이용한 Co/Pd 다층박막의 전자구조연구)

  • Kang, J.-S.;Kim, S.K.;Jeong, J.I.;Hong, J.H.;Lee, Y.P.;Shin, H.J.;Olson, C.G.
    • Journal of the Korean Magnetics Society
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    • v.3 no.1
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    • pp.48-55
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    • 1993
  • We report the photoemission (PES) studies for the Co/Pd multilayter. The Co 3d PES spectrum of Co/Pd exhibits two interesting features, one near the Fermi energy, $E_{F}$, and another at ~2.5 eV below $E_{F}$. The Co 3d peak near $E_{F}$ of Co/Pd is much narrower than that of the bulk Co, consistent with the enhanced Co magnetic moment in Co/Pd compared to that in the bulk Co. The Co 3d feature at ~-2.5 eV resembles the Pd valence band structures, which suggests a substantial hybridization between the Co and Pd sublayers. The Co 3d PES spectrum of Co/Pd is compared with the existing band structures, obtained using the local spin density functional calculations. A reasonable agreement is found concerning the bandwidth of the occupied part of the Co 3d band, whereas a narrow Co 3d peak near $E_{F}$ seems not to be described by the band structure calculations.

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Cancellation of Motion Artifact in MRI (MRI에 있어서 체동 아티팩트의 제거)

  • Kim, Eung-Kyeu
    • Journal of the Institute of Electronics Engineers of Korea SP
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    • v.37 no.3
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    • pp.70-78
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    • 2000
  • In this study, a new method for canceling MRI artifacts through the motion translation of image plane is presented Breathing often makes problems in a clinical diagnosis. Assuming that the head moves up and down due to breathing, rigid translational motions in only y(phase encoding axis) direction are treated Unlike the conventional Iterative phase retrieval algorithm, this method is based on the MRI imaging process and analyzing of Image property A new constraint condition with which the motion component and the true image component in the MRI signal can be separated by a simple algebraic operation is extracted After the x(read out) directional Fourier transformation of MRI signal is done, the y(phase encoding) directional spectrum phasing value is Just an algebraic sum of the Image component and the motion component Meanwhile, as It is known that the density of subcutaneous fat area is almost uniform in the head tomographs, the density distribution along a y directional line on this fat area is regarded as symmetric shape If the density function is symmetric, then the phase of spectrum changes linearly with the position Hence, the departure component from the linear function can be separated as the motion component Based on this constrant condition, the new method of artifact cancellation is presented Finally, the effectiveness of this algorithm IS shown by using a phantom with simulated motions.

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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.

Development of Time Lag Considered (TLC) Crowd Load Model Based on Probabilistic Approach (개인별 시간지연효과를 고려한 확률론적 군중 하중모형 개발)

  • Kim, Sung-Yong;Lee, Cheol-Ho
    • Journal of Korean Society of Steel Construction
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    • v.24 no.1
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    • pp.1-11
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    • 2012
  • To overcome the limitations of current evaluation procedures for floor vibration under crowd loading, two kinds of uncertainties associated with individual time lag differences and the complex behavior of crowd should be taken into account. The complex behavior of crowds has yet to be fully described, even though individual differences can be dealt with statistically. This paper proposes time lag considered (TLC) crowd model based on a probabilistic approach. The load reduction factor, which reflects the effect of a general degree of synchronization among crowd, is proposed. Extensive Monte Carlo simulations were carried out to determine various crowd behaviors by using the TLC crowd model proposed. The TLC crowd model can rationally treat the energy loss of various crowd patterns. This indicates that it may be used as a theoretical basis in refining dynamic load factor of crowd loading.

Design of Space-Time Trellis Code with Uniform Error Property (균일 오율의 시공간 격자상 부호 설계)

  • Jung Young-Seok;Lee Jae-Hong
    • Journal of the Institute of Electronics Engineers of Korea TC
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    • v.43 no.8 s.350
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    • pp.59-68
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    • 2006
  • The study on the uniform error property of codes has been restricted to additive white Gaussian noise (AWGN) channel, which is generally referred to as geometrical uniformity. In this paper, we extend the uniform error property to space-time codes in multiple-input multiple-output (MIMO) channel by directly treating the probability density functions fully describing the transmission channel and the receiver. Moreover, we provide the code construction procedure for the geometrically uniform space-time trellis codes in fast MIMO channels, which consider the distance spectrum. Due to the uniform error property, the complexity of code search is extensively reduced. Such reduction makes it possible to obtain the optimal space-time trellis codes with high order states. Simulation results show that new codes offer a better performance in fast MIMO channels than other known codes.

MRI Artifact Correction due to Unknown Respiratory Motion (미지 호흡운동에 의한 MRI 아티팩트의 수정)

  • 김응규
    • Journal of the Institute of Electronics Engineers of Korea SP
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    • v.41 no.5
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    • pp.53-62
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    • 2004
  • In this study, an improved post-processing technique for correcting MRI artifact due to the unknown respiratory motion in the imaging plane is presented. Respiratory motion is modeled by a two-Dimensional linear expending-shrinking movement. Assuming that the body tissues are incompressible fluid like materials, the proton density per unit volume of the imaging object is kept constant. According to the introduced model, respiratory motion imposes phase error, non-uniform sampling and amplitude modulation distortions on the acquired MRI data. When the motion parameters are known or can be estimatead a reconstruction algorithm based on biliner superposition method was used to correct the MRI artifact. In the case of motion parameters are unknown, first, the spectrum shift method is applied to find the respiratory fluctuation function, x directional expansion coefficient and x directional expansion center. Next, y directional expansion coefficient and y directional expansion center are estimated by using the minimum energy method. Finally, the validity of this proposed method is shown to be effective by using the simulated motion images.

A Combined Acoustic Feedback and Noise Cancellation Algorithm for Digital Hearing Aids (디지털 보청기를 위한 음향궤환 몇 잡음 제거 알고리즘)

  • Lee, Haeng-Woo
    • The Journal of Korean Institute of Communications and Information Sciences
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    • v.35 no.11C
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    • pp.911-916
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    • 2010
  • This paper proposes a new algorithm to cancel the acoustic feedback and noise signals in digital hearing aids. The proposed algorithm combines the feedback canceller to remove acoustic feedback signals and the noise canceller to reduce background noises. The feedback canceller is implemented by normal adaptive FIR filter, and the noise canceller is implemented by using the Wiener solution in frequency domain. This noise canceller has the transfer function presented by the power spectral density of signals. To verify the performances of the proposed algorithm, the simulations were carried out for the system. As the results of simulations, it was proved that we can advance 10.85dB output SNR on the average for the forward path gain of 0dB, and 11.04dB output SNR on the average for the forward path gain of 6dB, in the case of using the proposed algorithm.

Theoretical Investigation for the Molecular Structures and Dimerization Energies for Complexes of H2O-C6H6 Dimer (물(H2O)과 벤젠(C6H6) 이합체의 분자 구조 및 결합 에너지에 관한 이론 연구)

  • Sun, Ju-Yong;Kim, Seung-Joon
    • Journal of the Korean Chemical Society
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    • v.53 no.1
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    • pp.7-16
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    • 2009
  • The global minimum structures of the benzene-water, Bz-$H_2O$ and benzene-water cation complex, [Bz-$H_2O]^+$ have been investigated using ab initio and density functional theory(DFT) with very large basis sets. The highest levels of theory employed in this study are B3LYP/cc-pVQZ for geometry optimization and MP2/aug-cc-pVTZ//B3LYP/aug-cc-pVTZ for binding energy. The harmonic vibrational frequencies and IR intensities are also determined at the various levels of theory to confirm whether the structure of water complex is affected by the presence of benzene. The binding energies of Bz-$H_2O$ (N-1) structure are predicted to be 3.92 kcal/mol ($D_e$) and 3.11 kcal/mol ($D_0$) after the zero-point vibrational energy correction at the MP2/cc-pVQZ//B3LYP/cc-pVQZ level of theory. The binding energies of [Bz-$H_2O]^+$ (C-1) structure are predicted to be 9.06 kcal/mol for $D_e$ and 7.82 kcal/mol for $D_0$ at the same level of theory.

Comparisons of 1-Hour-Averaged Surface Temperatures from High-Resolution Reanalysis Data and Surface Observations (고해상도 재분석자료와 관측소 1시간 평균 지상 온도 비교)

  • Song, Hyunggyu;Youn, Daeok
    • Journal of the Korean earth science society
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    • v.41 no.2
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    • pp.95-110
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    • 2020
  • Comparisons between two different surface temperatures from high-resolution ECMWF ReAnalysis 5 (ERA5) and Automated Synoptic Observing System (ASOS) observations were performed to investigate the reliability of the new reanalysis data over South Korea. As ERA5 has been recently produced and provided to the public, it will be highly used in various research fields. The analysis period in this study is limited to 1999-2018 because regularly recorded hourly data have been provided for 61 ASOS stations since 1999. Topographic characteristics of the 61 ASOS locations are classified as inland, coastal, and mountain based on Digital Elevation Model (DEM) data. The spatial distributions of whole period time-averaged temperatures for ASOS and ERA5 were similar without significant differences in their values. Scatter plots between ASOS and ERA5 for three different periods of yearlong, summer, and winter confirmed the characteristics of seasonal variability, also shown in the time-series of monthly error probability density functions (PDFs). Statistical indices NMB, RMSE, R, and IOA were adopted to quantify the temperature differences, which showed no significant differences in all indices, as R and IOA were all close to 0.99. In particular, the daily mean temperature differences based on 1-hour-averaged temperature had a smaller error than the classical daily mean temperature differences, showing a higher correlation between the two data. To check if the complex topography inside one ERA5 grid cell is related to the temperature differences, the kurtosis and skewness values of 90-m DEM PDFs in a ERA5 grid cell were compared to the one-year period amplitude among those of the power spectrum in the time-series of monthly temperature error PDFs at each station, showing positive correlations. The results account for the topographic effect as one of the largest possible drivers of the difference between ASOS and ERA5.