• Title/Summary/Keyword: 전산모사 분석

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Development of the 40m SANS Instrument at HANARO for Nanostructure Characterization (나노구조 분석을 위한 하나로 40m 소각중성자산란장치 개발)

  • Choi Sung-Min;Kim Tae-Hwan;Lee Ji-Hwan;Han Young-Soo;Lee Chang-Hee
    • Journal of the Korean Vacuum Society
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    • v.14 no.3
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    • pp.126-131
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    • 2005
  • Small-angle neutron scattering (SANS) is a very powerful techniques for nanostructure characterization. In this paper, we report the conceptual design and technical description of the 40 in small angle neutron scattering (SANS) insoument which is being developed by KAIST and KAERI for installation at 30 MW HANARO research reactor. For the optimal design of 40 m SANS, a series of computer simulation were pe.to.mod. The Q-.ange of the 40m SANS inst.ument is $0.0005\;\AA^{-1}-1.0\AA^{-1}$ which is a world top-class SANS Q-range. When the cold neutron spectrum used in the simulation is realized, the neutron flux at sample position is expected to be comparable to the current state-of-art SANS instrument in the world.

Conformational and Conductance Fluctuations in Single-Molecule Junctions: A Multiscale Computational Study

  • Kim, Hu-Seong;Kim, Yong-Hun
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.02a
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    • pp.389-389
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    • 2010
  • 우리 연구그룹에서는 분자 소자에서의 소자 구조와 전도도 간의 상관관계를 알아보기 위해서 분자동역학 전산모사와 전자밀도범함수이론 계산 및 전하수송성 계산을 자동으로 수행할 수 있는 소프트웨어를 개발하고 이를 적용해 다양한 나노소자를 연구하고 있다. 본 발표에서는 hexanedithiolate 단일 분자가 Au(111) 전극 사이에서 다양한 S-Au 접점 구조를 가지고 구성된 소자 모델에서 열적 진동이 소자 전도도에 끼치는 효과를 통계적으로 분석하여 단분자 소자 실험에서 제기된 여러 개의 conductance peak의 측정에 대한 논란에 대해 이론적인 규명을 시도할 것이다.

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Structural Analysis of Al2Ti2O5 at Room Temperature and at 600℃ by DV-Xα Approach (DV-Xα 전산모사에 의한 Al2Ti2O5의 상온 및 600℃ 구조 분석)

  • Chang, Myung Chul
    • Proceedings of the Korean Institute of Surface Engineering Conference
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    • 2012.05a
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    • pp.148-149
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    • 2012
  • As one of zero-expansion coefficient materials $Al_2TiO_5$ ceramics was prepared and the thermal shock-resistance was investigated by using DV-X analysis. In this report the mechanism of thermal shock-resistance and low mechanical strength.

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부유성 HNS의 근접영역의 확산 특성에 대한 수치해석

  • Go, Min-Gyu;Jeong, Chan-Ho;Lee, Mun-Jin;Jeong, Jeong-Yeol;Lee, Seong-Hyeok
    • Proceedings of KOSOMES biannual meeting
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    • 2017.11a
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    • pp.162-163
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    • 2017
  • 해양 HNS(Hazardous and Noxious Substances)의 유출 사고 시, 막대한 인명 피해와 환경 훼손을 피하기 위해 유출 사고 조기 예측과 정확한 확산 경로를 예측하는 것이 필수적이다. 본 연구의 최종목적은 전산유체역학을 이용하여 HNS사고가 발생하였을 때 위험구역을 적절히 예측할 수 있는 수치해석기법을 개발하고, 다양한 해양사고조건과 환경영향을 고려하여 근접역에서의 2차원 확산 특성을 고찰하고 확산 현상을 예측하기 위한 모델을 개발하는 것이다. 본 연구에서는 상용코드인 ANSYS FLUENT(V. 17.2)을 사용하여 근접역에서의 2차원 확산특성을 모사하고 분석하였다. 특히, 누출된 HNS의 위치별 농도를 예측하기 위해 종수송방정식(Species Transport Equation)을 이용하였으며 RANS(Reynolds-Averaged Navier-Stokes) 방정식과 표준 $k-{\varepsilon}$ 모델을 이용하여 난류유동을 모사하였다. 해석된 결과는 문헌에서 얻어진 실험데이터와 상호비교하였으며 해수의 유속, HNS의 밀도에 따른 유층 두께, 해수면 HNS 평균 농도 그리고 HNS 전파 속도를 분석하였다. 유층 두께는 해류 유속에 따라 변화하며 변화 경향에 따라 두 구간으로 나눌 수 있다. 해류 전파 속도는 대체로 해류 유속과 선형적 비례관계를 갖는 것으로 나타났다. 해수면 평균 HNS 농도는 해류 유속에 선형적으로 비례하여 감소하며, HNS 밀도가 큰 경우 해수면 평균 HNS 체적 농도는 더 빠르게 감소하게 된다. 이러한 결과는 HNS 확산 특성을 분석하고 관련된 예측모델을 개발하는 데에 기여할 수 있다.

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Comparison of Misalignment and Retardation Errors of Dual Rotating Quarter-Wave Plates in Muller-Matrix Ellipsometry (타원편광 분석기에서 정렬오차와 사분파장판의 지연오차로 인한 뮬러 매트릭스 오차 분석)

  • Cheong, Hai Du;Kim, Dukhyeon
    • Korean Journal of Optics and Photonics
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    • v.25 no.5
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    • pp.262-272
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    • 2014
  • Using an ellipsometer with dual rotating quarter-wave plates, we have analyzed the relationship between Fourier coefficients and Mueller matrices in the cases of an error-free optical system and of five systematic errors (alignment errors and retardation errors in the quarter-wave plates, and alignment error in the analyzer). In the case with five systematic errors, simulation results show that retardation errors cause more error in the diagonal elements of the Mueller matrix than do alignment errors. We have found that errors in the Mueller matrix caused by initial misalignment of the dual quarter-wave plates were the same. We have chosen the rotation rates of two quarter-wave plates such that the rotational frequencies ${\omega}_1$ and ${\omega}_2$ differ by a factor of 5, i.e. ${\omega}_2=5{\omega}_1$. The simulation results show 0.18% relative error in the diagonal elements ($m_{22}$ and $m_{33}$) and 200% relative error in the off-diagonal elements ($m_{23}$ and $m_{32}$), when we compare errors caused by misalignment of the analyzer to those caused by initial misalignment of the quarter-wave plates. We can use these results in measuring accurate Mueller matrices of optical materials.

Analytical Simulation of Shake-Table Responses of a 1:5 Scale 10-story Wall-type RC Residential Building Model (1:5 축소 10층 벽식 RC 공동주택 모델의 진동대실험 응답에 대한 해석적 모사)

  • Lee, Han-Seon;Jeong, Da-Hun;Hwang, Kyung-Ran
    • Journal of the Computational Structural Engineering Institute of Korea
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    • v.24 no.6
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    • pp.617-627
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    • 2011
  • This paper presents the results of analytical simulation of shake-table responses of a 1:5 scale 10-story reinforcement concrete(RC) residential building model by using the PERFORM-3D program. The following conclusion are drawn based on the observation of correlation between experiment and analysis; (1) The analytical model simulated fairly well the global elastic behavior under the excitations representative of the earthquake with the return period of 50 years. Under the design earthquake(DE) and maximum considered earthquake(MCE), this model shows the nonlinear behavior, but does not properly simulate the maximum responses, and stiffness and strength degradation in experiment. The main reason is considered to be the assumption of elastic slab. (2) Although the analytical model in the elastic behavior closely simulated the global behavior, there were considerable differences in the distribution of resistance from the wall portions. (3) Under the MCE, the shear deformation of wall was relatively well simulated with the flexural deformation being overestimated by 10 times that of experiment. This overestimation is presumed to be partially due to the neglection of coupling beams in modeling.

Analysis of the Substrate Removal Characteristics of TPA Using OUR and NUR Tests, and Simulation with ASM1 (호흡률과 탈질률 실험과 ASM1을 이용한 전산모사를 통한 TPA의 기질 분해 특성 평가)

  • Jung, In-Chul;Lee, Sung-Hak;Sung, Nak-Chang
    • Journal of Korean Society of Environmental Engineers
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    • v.28 no.9
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    • pp.926-934
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    • 2006
  • In this study, nitrate uptake rate(NUR) and oxygen uptake rate(OUR) tests were conducted for the assessment of application of Terephtalic acid(TPA) by-product as an alternative external carbon source for sewage treatment plant(STP). With the ASM1 installed in GPS-X the substrate removal characteristic was investigated with simulation by obtained data from NUR and OUR test. As a result, the fraction of RBDCOD(readily biodegradable COD) was mort than 90% and specific denitrification rate was observed about 8.00 mg $NO_3^-$-N/g VSS/hr that was similar to conventional external carbon source. In the next step, sensitivity analysis for heterotrophic biomass in ASM1 was conducted. Optimized parameters of ${\mu}_{max,H}$, $K_s$, ${\eta}_g$, and $b_H$ were 6.60/day, 23.3 mg/L, 0.88, and 0.54/day, respectively. Then, relative mean squared error(RMSE) was reduced to about 40%. Optimized parameters value were well corresponded with the substrate removal characteristics of high maximum and final endogenous specific OUR and high specific NUR.

Changes on the Microstructure of an Al-Cu-Si Ternary Eutectic Alloy with Different Mold Preheating Temperatures (금형 예열온도에 따른 Al-Cu-Si 3원계 공정합금의 미세조직 변화)

  • Oh, Seung-Hwan;Lee, Young-Cheol
    • Journal of Korea Foundry Society
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    • v.42 no.5
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    • pp.273-281
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    • 2022
  • In order to understand the solidification behavior and microstructural evolution of the Al-Cu-Si ternary eutectic alloy system, changes of the microstructure of the Al-Cu-Si ternary eutectic alloy with different cooling rates were investigated. When the mold preheating temperature is 500℃, primary Si and Al2Cu dendrites are observed, with (α-Al+Al2Cu) binary eutectic and needle-shaped Si subsequently observed. In addition, even when the mold preheating temperature is 300℃, primary Si and Al2Cu dendrites can be observed, and both (α-Al+Al2Cu+Si) areas observed and areas not observed earlier appear. When the mold preheating temperature is 150℃, bimodal structures of the binary eutectic (α-Al+Al2Cu) and ternary eutectic (α-Al+Al2Cu+Si) are observed. When the preheating temperature of the mold is changed to 500℃, 300℃, and 150℃, the greatest change is in the Si phase, and upon reaching the critical cooling rate, the ternary eutectic of (α-Al+Al2Cu+Si) forms. If the growth of the Si phase is suppressed upon the formation of (α-Al+Al2Cu+Si), the growth of both Al and Cu is also suppressed by a cooperative growth mechanism. As a result of analyzing the Al-27wt%Cu-5wt%Si ternary eutectic alloy with a different alloy design simulation programs, it was confirmed that different results arose depending on the program. A computer simulation of the alloy design is a useful tool to reduce the trial and error process in alloy design, but this effort must be accompanied by a task that increases reliability and allows a comparison to microstructural results derived through actual casting.

The Comparative Analysis of External Dose Reconstruction in EPID and Internal Dose Measurement Using Monte Carlo Simulation (몬테 카를로 전산모사를 통한 EPID의 외부적 선량 재구성과 내부 선량 계측과의 비교 및 분석)

  • Jung, Joo-Young;Yoon, Do-Kun;Suh, Tae-Suk
    • Progress in Medical Physics
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    • v.24 no.4
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    • pp.253-258
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    • 2013
  • The purpose of this study is to evaluate and analyze the relationship between the external radiation dose reconstruction which is transmitted from the patient who receives radiation treatment through electronic portal imaging device (EPID) and the internal dose derived from the Monte Carlo simulation. As a comparative analysis of the two cases, it is performed to provide a basic indicator for similar studies. The geometric information of the experiment and that of the radiation source were entered into Monte Carlo n-particle (MCNPX) which is the computer simulation tool and to derive the EPID images, a tally card in MCNPX was used for visualizing and the imaging of the dose information. We set to source to surface distance (SSD) 100 cm for internal measurement and EPID. And the water phantom was set to be 100 cm of the source to surface distance (SSD) for the internal measurement and EPID was set to 90 cm of SSD which is 10 cm below. The internal dose was collected from the water phantom by using mesh tally function in MCNPX, accumulated dose data was acquired by four-portal beam exposures. At the same time, after getting the dose which had been passed through water phantom, dose reconstruction was performed using back-projection method. In order to analyze about two cases, we compared the penetrated dose by calibration of itself with the absorbed one. We also evaluated the reconstructed dose using EPID and partially accumulated (overlapped) dose in water phantom by four-portal beam exposures. The sum dose data of two cases were calculated as each 3.4580 MeV/g (absorbed dose in water) and 3.4354 MeV/g (EPID reconstruction). The result of sum dose match from two cases shows good agreement with 0.6536% dose error.