• Title/Summary/Keyword: superposition

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Theoretical Study on the Hydrogen-Bonding Effect of H2On-H2Om (n=1-4, m=1-4) Dimers (H2On-H2Om (n=1-4, m=1-4) 이중합체의 수소결합에 따른 구조적 특성 및 결합에너지에 관한 이론 연구)

  • Song, Hui-Seong;Seo, Hyun-Il;Shin, Chang-Ho;Kim, Seung-Joon
    • Journal of the Korean Chemical Society
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    • v.59 no.2
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    • pp.117-124
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    • 2015
  • The DFT and ab initio calculations have been performed to elucidate hydrogen interaction of hydrogen polyoxide dimers, $H_2O_n-H_2O_m$ (n=1-4, m=1-4). The optimized geometries, harmonic vibrational frequencies, and binding energies are predicted at various levels of theory. The harmonic vibrational frequencies of the molecules considered in this study show all real numbers implying true minima. The higher-order correlation effect were discussed to compare MP2 result with CCSD(T) single point energy. The binding energies were corrected for the zero-point vibrational energy (ZPVE) and basis set superposition errors (BSSE). The largest binding energy predicted at the CCSD(T)/cc-pVTZ level of theory is 8.18 kcal/mol for $H_2O_4-H_2O_3$ and the binding energy of water dimer is predicted to be 3.00 kcal/mol.

Theoretical Investigation for the Structures and Binding Energies of H2O3 and Water (H2O) Clusters (H2O3과 물(H2O) 클러스터들의 분자구조와 열역학적 안정성에 대한 이론적 연구)

  • Seo, Hyun-il;Kim, Jong-Min;Song, Hui-Sung;Kim, Seung-Joon
    • Journal of the Korean Chemical Society
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    • v.61 no.6
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    • pp.328-338
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    • 2017
  • The density functional theory(DFT) and ab initio calculations have been applied to investigate hydrogen interaction of $H_2O_3(H_2O)_n$ clusters(n=1-5). The structures, IR spectra, and H-bonding energies are calculated at various levels of theory. The $trans-H_2O_3$ monomer is predicted to be thermodynamically more stable than cis form at the CCSD(T)/cc-pVTZ level of theory. For clusters, the geometries are optimized at the MP2/cc-pVTZ level of theory. The binding energy of $H_2O_3-H_2O$ cluster is predicted to be -6.39 kcal/mol at the CCSD(T)//MP2/cc-pVTZ level of theory after zero-point vibrational energy (ZPVE) and basis set superposition error (BSSE) correction. This result implies that $H_2O_3$ is a stronger proton donor(acid) than either $H_2O$ or $H_2O_2$. The average binding energies per $H_2O$ are predicted to be 8.25 kcal/mol for n=2, 7.22 kcal/mol for n=3, 8.50 kcal/mol for n=4, and 8.16 kcal/mol for n=5.

Numerical Modeling of a Short-range Three-dimensional Flash LIDAR System Operating in a Scattering Atmosphere Based on the Monte Carlo Radiative Transfer Matrix Method (몬테 카를로 복사 전달 행렬 방법을 사용한 산란 대기에서 동작하는 단거리 3차원 플래시 라이다 시스템의 수치적 모델링)

  • An, Haechan;Na, Jeongkyun;Jeong, Yoonchan
    • Korean Journal of Optics and Photonics
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    • v.31 no.2
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    • pp.59-70
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    • 2020
  • We discuss a modified numerical model based on the Monte Carlo radiative transfer (MCRT) method, i.e., the MCRT matrix method, for the analysis of atmospheric scattering effects in three-dimensional flash LIDAR systems. Based on the MCRT method, the radiative transfer function for a LIDAR signal is constructed in a form of a matrix, which corresponds to the characteristic response. Exploiting the superposition and convolution of the characteristic response matrices under the paraxial approximation, an extended computer simulation model of an overall flash LIDAR system is developed. The MCRT matrix method substantially reduces the number of tracking signals, which may grow excessively in the case of conventional Monte Carlo methods. Consequently, it can readily yield fast acquisition of the signal response under various scattering conditions and LIDAR-system configurations. Using the computational model based on the MCRT matrix method, we carry out numerical simulations of a three-dimensional flash LIDAR system operating under different atmospheric conditions, varying the scattering coefficient in terms of visible distance. We numerically analyze various phenomena caused by scattering effects in this system, such as degradation of the signal-to-noise ratio, glitches, and spatiotemporal spread and time delay of the LIDAR signals. The MCRT matrix method is expected to be very effective in analyzing a variety of LIDAR systems, including flash LIDAR systems for autonomous driving.

Electron Magnetic Resonance Study of Paramagnetic Impurities in LiTaO3 and LiMbO3 Single Crystals (LiTaO3 및 LiMbO3 단결정 내의 상자성 불순물에 관한 전자 자기공명 연구)

  • Yeom, Tae-Ho
    • Journal of the Korean Magnetics Society
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    • v.13 no.5
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    • pp.204-210
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    • 2003
  • Electron magnetic resonance (EMR) of paramagnetic Cr$^{3+}$, Mn$^{2+}$, and Fe$^{3+}$ impurity ions in ferroelectric LiNbO$_3$ and LiTaO$_3$ single crystals has been studied. The actual sites location of paramagnetic impurity ions in the crystals was suggested from the experimental results and zero field splitting parameters calculated by superposition model. It turns out that Cr$^{3+}$ ions in LiNbO$_3$ crystal have two resonance centers and enter both the Li$^{+}$ and Nb$^{5+}$ ions. Mn$^{2+}$ and Fe$^{3+}$ impurity ions in LiNbO$_3$ substitute for Nb$^{5+}$ ions. However, both Cr$^{3+}$ and Fe$^{3+}$ ions in LiTaO$_3$ crystal reside at Li$^{+}$ ions.$ +/ ions.+/ ions.

Parametric Study on 3-way Switch Design Considering Levitation Stability of Maglev Train (자기부상열차의 부상안정성을 고려한 3방향 분기기의 설계 파라미터 연구)

  • Lee, Younghak;Han, Jong-Boo;Lim, Jaewon;Lee, Jong-Min
    • Journal of the Korean Society for Railway
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    • v.19 no.2
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    • pp.135-144
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    • 2016
  • It is essential to lighten the weight of switch girders in order to reduce their costs of manufacturing and make it easier to use them in construction. Lightening the weight of switch is also important to the Maglev 3-way switches system, however, the design variables should be considered very carefully if lightening is to be applied to the system, because these variables are vitally related to the levitation stability. Because Urban Maglev trains have a structure in which train bogie wraps around the guiderail, the adjustment of a girder's height is a possible way to reduce the weight. The safety of the application of this concept is ensured by repeated experiments in a test bed, however, due to a lack of space and budget limits, the design parametric study for the system model can substitute for actual application. The purpose of this paper is to study the design parameters that are concerned with levitation stability while a Maglev train is running on the Maglev 3-way system depending on the weight of the switch girders. In this study, switch girder weight is reduced by adjustment of girder height and girders are and modeled as a flexible body. The effect of the adjustment of girder height on the levitation stability can be analyzed by comparing the velocity of the train when it passes the switch girders, with the lateral gap, and the levitation gap which are obtained from the co-simulation of the Maglev train's dynamics model and flexible switching system. The results of this research will be used to design a Maglev switch.

Study on the Selection of the Basin Characteristics Parameters in River Basin Using Satellite Images and GIS (위성영상(衛星映像)과 GIS를 이용한 하천유역(河川流域)의 유역특성인자(流域特性因子) 추출(抽出)추출 관한 연구(硏究))

  • Jo, Myung-Hee;Ahn, Seung-Seop
    • Journal of the Korean association of regional geographers
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    • v.4 no.1
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    • pp.121-134
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    • 1998
  • In this study, the satellite images and the GIS technique are used to select the basin characteristics parameters as the basis of water resources management of river basin. The study area is Geum-ho river basin and the hydrologic characteristics data are computed through the database of the basin characteristics parameters classified by subjects with 35 maps correspond to the study basin of 1:25,000 scale as the basic map. As the result, the drawing up of land use map through satellite image processing that provides the quantitative informations for the land is very efficient to analysis the extensive land use information of the basin, and exact analysis of mass surface data is possible and the feasibility of statistic computation between spatial subjects as it superpose on other subject map is ascertained. It is thought also that the analysis of the basin characteristics data can be utilized very effectively for the basin management and the analysis of basin surface area, once it is expressed numerically for database, since the superposition analysis with different subject map and the correlative analysis with the property data are possible although the tracing process of each subject in the basic map is not efficient. Especially, modification and renewal of the data for the change of land surface become easy, therefore more rapid and exact selection of the basin characteristics data and the construction of more efficient basin management plan are possible.

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Rheological Properties of Sweet Potato Starch-sucrose Composite (고구마전분-sucrose 복합물의 레올로지 특성)

  • Cho, Sun-A;Yoo, Byoung-Seung
    • Korean Journal of Food Science and Technology
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    • v.40 no.2
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    • pp.184-189
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    • 2008
  • Effects of sucrose at different concentrations (0, 10, 20, and 30%, w/w) on steady and dynamic shear rheological properties of sweet potato starch (SPS) paste (5%, w/w) were investigated. The steady shear rheological properties of SPS-sucrose composites were determined from rheological parameters based on power law and Casson flow models. At 25$^{\circ}C$ all the samples showed pseudoplastic and thixoropic behavior with high yield stress. Consistence index (K), apparent viscosity (${\eta}_{a,100}$), and yield stress (${\sigma}_{oc}$) values of SPS-sucrose composites decreased with increasing sucrose concentration from 10% to 30%. The decrease of swelling power was observed at higher sucrose concentration (>20%) and the low swelling power yielded a lower K, ${\eta}_{a,100}$, and ${\sigma}_{oc}$ values. In temperature range of 25-70$^{\circ}C$, Arrhenius equation adequately assessed variation with temperature. Oscillatory test data showed weak gel-like behavior. Magnitudes of storage (G') and loss (G") moduli increased with an increase in sucrose concentration and frequency. The SPS-sucrose composite at 30% concentration closely followed the Cox-Merz superposition rule.

Evaluation on machining accuracy according to convergence angle and radius of curvature value used for fabricating custom abutments (맞춤형 지대주 제작에 사용되는 수렴 각과 곡률 반경의 값에 따른 가공 정확도 평가)

  • Hong, Min-Ho;Choi, Sung-Min;Kwon, Tae-Yub
    • Korean Journal of Dental Materials
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    • v.44 no.4
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    • pp.329-336
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    • 2017
  • This study evaluates the machining accuracy of the custom abutment design according to the selected convergence angle and radius of curvature value in the CAD program. Ten custom abutments were designed based on dental CAD. And then, the fabricated custom abutment was scanned ten times using a contact scanner. The data of the scanned custom abutment was saved as "Test STL" file. The Geomagic studio software was used to superposition each exported as an "Test STL" file with the CAD-reference-model STL file (CRM) specified by the same name. In the experimental results, the A8 group (convergence angle $8^{\circ}$) showed lower error than the A4 group (convergence angle $4^{\circ}$) . In addition, the higher the radius of curvature, the less error in the top and chamfer regions of the custom abutment (p< 0.05). Overall, the convergence angle and radius of curvature value in the custom abutment design were found to affect the machining accuracy.

Image Watermark Method Using Multiple Decoding Keys (다중 복호화 키들을 이용한 영상 워터마크 방법)

  • Lee, Hyung-Seok;Seo, Dong-Hoan;Cho, Kyu-Bo
    • Korean Journal of Optics and Photonics
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    • v.19 no.4
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    • pp.262-269
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    • 2008
  • In this paper, we propose an image watermark method using multiple decoding keys. The advantages of this method are that the multiple original images are reconstructed by using multiple decoding keys in the same watermark image, and that the quality of reconstructed images is clearly enhanced based on the idea of Walsh code without any side lobe components in the decoding process. The zero-padded original images, multiplied with random-phase pattern to each other, are Fourier transformed. Encoded images are then obtained by taking the real-valued data from these Fourier transformed images. The embedding images are obtained by the product of independent Walsh codes, and these spreaded phase-encoded images which are multiplied with new random-phase images. Also we obtain the decoding keys by multiplying these random-phase images with the same Walsh code images used in the embedding images. A watermark image is then made from the linear superposition of the weighted embedding images and a cover image, which is multiplied with a new independent Walsh code. The original image is simply reconstructed by the inverse-Fourier transform of the despreaded image of the multiplication between the watermark image and the decoding key. Computer simulations demonstrate the efficiency of the proposed watermark method with multiple decoding keys and a good robustness to the external attacks such as cropping and compression.

The Case Study on Risk Assessment and Probability of Failure for Port Structure Reinforced by DCM Method (심층혼합처리공법이 적용된 항만 구조물의 파괴확률과 위험도 평가에 관한 사례 연구)

  • Kim, Byung Il;Park, Eon Sang
    • Journal of the Korean Geosynthetics Society
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    • v.17 no.4
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    • pp.53-64
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    • 2018
  • In this study, the evaluation to probability of failure for risk assessment of port structures on DCM reinforced soils, where stability and risk assessment are increasing in importance, was performed. As a random variables affecting the risk of DCM improved ground, the design strength, superposition (overlap) of construction, strength of the natural ground, internal friction angle and unit weight of the modified ground were selected and applied to the risk assessment. In addition, the failure probability for the entire system under ordinary conditions and under earthquake conditions were analyzed. As a result, it was found that the highest coefficient of variation in the random variable for the risk assessment of the DCM improved ground is the design strength, but this does not have a great influence on the safety factor, ie, the risk of the system. The main risk factor for the failure probability of the system for the DCM reinforced soils was evaluated as horizontal sliding in case of external stability and compression failure in case of internal stability both at ordinary condition and earthquake condition. In addition, the failure probability for ordinary horizontal sliding is higher than that for earthquake failure, and the failure probability for ordinary compression failure is lower than that for earthquake failure. The ordinary failure probability of the entire system is similar to the failure probability on earthquake condition, but in this case, the risk of earthquake is somewhat higher.