• 제목/요약/키워드: atomic distribution

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3D Shape Descriptor with Interatomic Distance for Screening the Molecular Database (분자 데이터베이스 스크리닝을 위한 원자간 거리 기반의 3차원 형상 기술자)

  • Lee, Jae-Ho;Park, Joon-Young
    • Korean Journal of Computational Design and Engineering
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    • v.14 no.6
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    • pp.404-414
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    • 2009
  • In the computational molecular analysis, 3D structural comparison for protein searching plays a very important role. As protein databases have been grown rapidly in size, exhaustive search methods cannot provide satisfactory performance. Because exhaustive search methods try to handle the structure of protein by using sphere set which is converted from atoms set, the similarity calculation about two sphere sets is very expensive. Instead, the filter-and-refine paradigm offers an efficient alternative to database search without compromising the accuracy of the answers. In recent, a very fast algorithm based on the inter-atomic distance has been suggested by Ballester and Richard. Since they adopted the moments of distribution with inter-atomic distance between atoms which are rotational invariant, they can eliminate the structure alignment and orientation fix process and perform the searching faster than previous methods. In this paper, we propose a new 3D shape descriptor. It has properties of the general shape distribution and useful property in screening the molecular database. We show some experimental results for the validity of our method.

Measurement of the fast Neutron Flux Density in the Bulk Shielding Experimental Tank of the TRIGA Mark-II Reactor Using Solid State Track Detector

  • Ro, Seung-Gy;Jun, Jae-Shik;Cho, Sae-Hyung
    • Nuclear Engineering and Technology
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    • v.5 no.4
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    • pp.334-338
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    • 1973
  • The horizontal distribution of the fast neutron flux density in the Bulk Shielding Experimental Tank of the TRIGA Mark-II reactor at the steady power of 250 KW has been measured using a solid state track detector which is natural mica placed in contact with $^{232}$ Th fissile foil. The neutron flux density was calculated on the assumption that the fast neutron spectrum is similar to that from the thermal-induced $^{235}$ U fission. The resulting flux density distribution along the horizontal line from the center of the thermalizing column door is presented in tabular and graphical forms.

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STARS: A 3D GRID-BASED MONTE CARLO CODE FOR RADIATIVE TRANSFER THROUGH RAMAN AND RAYLEIGH SCATTERING WITH ATOMIC HYDROGEN

  • Chang, Seok-Jun;Lee, Hee-Won
    • Journal of The Korean Astronomical Society
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    • v.53 no.6
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    • pp.169-179
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    • 2020
  • Emission features formed through Raman scattering with atomic hydrogen provide unique and crucial information to probe the distribution and kinematics of a thick neutral region illuminated by a strong far-ultraviolet radiation source. We introduce a new 3-dimensional Monte-Carlo code in order to describe the radiative transfer of line photons that are subject to Raman and Rayleigh scattering with atomic hydrogen. In our Sejong Radiative Transfer through Raman and Rayleigh Scattering (STaRS) code, the position, direction, wavelength, and polarization of each photon is traced until escape. The thick neutral scattering region is divided into multiple cells with each cell being characterized by its velocity and density, which ensures flexibility of the code in analyzing Raman-scattered features formed in a neutral region with complicated kinematics and density distribution. To test the code, we revisit the formation of Balmer wings through Raman scattering of the far-UV continuum near Lyβ and Lyγ in a static neutral region. An additional check is made to investigate Raman scattering of O vi in an expanding neutral medium. We find a good agreement of our results with previous works, demonstrating the capability of dealing with radiative transfer modeling that can be applied to spectropolarimetric imaging observations of various objects including symbiotic stars, young planetary nebulae, and active galactic nuclei.

Statistical Analysis for Creep Crack Growth Behavior of Modified 9Cr-1Mo Steel (Modified 9Cr-1Mo 강의 크리프 균열성장 거동에 관한 통계적 해석)

  • Jung, Ik-Hee;Kim, Woo-Gon;Yin, Song-Nan;Ryu, Woo-Seog;Kim, Seon-Jin
    • Korean Journal of Metals and Materials
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    • v.47 no.5
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    • pp.283-289
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    • 2009
  • This paper dealt with a statistical analysis for evaluating the creep crack growth rate (CCGR) for Modified 9Cr-1Mo (ASTM Grade 91) steel. The CCGR data was obtained by the creep crack growth (CCG) tests conducted under various applied loads at $600^{\circ}C$. To obtain logically the B and q values used in the CCGR equation, three methods such as the least square fitting method (LSFM), the mean value method (MVM) and the probabilistic distribution method (PDM) were adopted and their CCGR lines were compared, respectively. In addition, a number of random variables were generated by using the Monte Carlo simulation (MCS), and the CCGR lines were predicted probabilistically. It was found that both the B and q coefficients followed a 2-parameter Weibull distribution well. In the case of the ranges of 10-90% for the probability variables, P(B, q), the CCGR lines were predicted. Fractographic study was conducted from the specimen after the CCG tests.

Optimization of spent nuclear fuels per canister to improve the disposal efficiency of a deep geological repository in Korea

  • Jeong, Jongtae;Kim, Jung-Woo;Cho, Dong-Keun
    • Nuclear Engineering and Technology
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    • v.54 no.8
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    • pp.2819-2827
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    • 2022
  • The disposal area of a deep geological repository (DGR) for the disposal of spent nuclear fuels (SNFs) is estimated considering the spacing between deposition holes and between disposal tunnels, as determined by a thermal analysis using the decay heat of a reference SNF. Given the relatively large amount of decay heat of the reference SNF, the disposal area of the DGR is found to be overestimated. Therefore, we develop a computer program using MATLAB, termed ACom (Assembly Combination), to combine SNFs when stored in canisters such that the decay heat per canister is evenly distributed. The stability of ACom was checked and the overall distribution of the decay heat per canister was analyzed. Finally, ACom was applied to disposal scenarios suggested in the conceptual design of a DGR for SNFs, and it was confirmed that the decay heat per canister could be evenly distributed and that the maximum decay heat of the canister could be much lower than that of a canister estimated using a reference SNF. ACom can be used to improve the disposal efficiency by reducing the disposal area of a DGR for SNFs by ensuringg a relatively even distribution of decay heat per canister.

Time uncertainty analysis method for level 2 human reliability analysis of severe accident management strategies

  • Suh, Young A;Kim, Jaewhan;Park, Soo Yong
    • Nuclear Engineering and Technology
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    • v.53 no.2
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    • pp.484-497
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    • 2021
  • This paper proposes an extended time uncertainty analysis approach in Level 2 human reliability analysis (HRA) considering severe accident management (SAM) strategies. The method is a time-based model that classifies two time distribution functions-time required and time available-to calculate human failure probabilities from delayed action when implementing SAM strategies. The time required function can be obtained by the combination of four time factors: 1) time for diagnosis and decision by the technical support center (TSC) for a given strategy, 2) time for strategy implementation mainly by the local emergency response organization (ERO), 3) time to verify the effectiveness of the strategy and 4) time for portable equipment transport and installation. This function can vary depending on the given scenario and includes a summation of lognormal distributions and a choice regarding shifting the distribution. The time available function can be obtained via thermal-hydraulic code simulation (MAAP 5.03). The proposed approach was applied to assess SAM strategies that use portable equipment and safety depressurization system valves in a total loss of component cooling water event that could cause reactor vessel failure. The results from the proposed method are more realistic (i.e., not conservative) than other existing methods in evaluating SAM strategies involving the use of portable equipment.

The analysis of electron energy distribution function using the approximated collision cross section in the low-pressure mercury discharge (저압 수은 방전에서의 근사화한 충돌 단면적을 사용한 전자 에너지 분포함수 해석)

  • 류명선;이진우;지철근
    • Proceedings of the Korean Institute of IIIuminating and Electrical Installation Engineers Conference
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    • 1989.10a
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    • pp.19-24
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    • 1989
  • The electron energy distribution function in mercury discharge positive columns are calculated numerically from the Boltzmann eqation under a set of parameters, such as the electron temperature to. the atomic temperature Tw. the electron number density no. and the electric field E. Especially, using the approximation that collision cross sections only depend on the energy, the calculated electron energy distribution function was shown that it falls off rapidly in the high energy tail.

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Effect of Coating Time on the Property of TiN-Coated Layer of High Speed Steel by Arc Ion Plating (AIP 코팅법에서 코팅 시간이 고속도강의 TiN 코팅층 성질에 미치는 영향)

  • Kim, H.J.;Joun, M.S.
    • Transactions of Materials Processing
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    • v.15 no.5 s.86
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    • pp.366-372
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    • 2006
  • The effect of coating time in arc ion plating on surface properties of the TiN-coated high speed steel(SKH51) is presented in this paper. Surface roughness, micro-hardness, coated thickness, atomic distribution of TiN and adhesion strength are measured for various coating times. It has been shown that the coating time has a deep influence on the micro-hardness, the coated thickness, the atomic distribution of Ti and the adhesion strength of the SKH51 steels but that it has little influence on the surface roughness.

Nanomechanical Properties Analysis on Polymer Blend Surfaces by Atomic Force Microscopy

  • Fujinami, So;Nakajima, Ken;Nishi, Toshio
    • Proceedings of the Polymer Society of Korea Conference
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    • 2006.10a
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    • pp.340-340
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    • 2006
  • Applying force-distance curve measurement by atomic force microscopy to a theoretical mechanical model gives us elastic properties of polymer surfaces. Our group focuses on force-mapping method, in which force-distance curve is performed at each lattice point on a sample surface and subsequently a variety of properties derived from analytical results are combined to construct a 2-dimensional image. With this method we succeeded in deriving Young' s modulus distribution map method of rubbery/rubbery polymer blend surfaces with ${\sim}100\;nm$ lateral resolution. We also applied force-mapping method to another theory to divide distribution of hardness from that of adhesion. We will demonstrate recent progress.

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Effect of Coating Time on the Property of TiN-Coated Layer on High Speed Steel by Arc Ion Plating (AIP 코팅법에서 코팅 시간이 고속도강의 TiN 코팅층 성질에 미치는 영향)

  • Kim, B.J.;Joun, M.S.
    • Proceedings of the Korean Society for Technology of Plasticity Conference
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    • 2006.05a
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    • pp.308-313
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    • 2006
  • The effect of coating time on surface properties of the TiN-coated high speed steel(SKH51) by arc ion plating is and presented in this paper. Surface roughness, micro-hardness, coated thickness, atomic distribution of TiN and adhesion strength are measured for various coating times. It has been shown that the coating time has a deep influence more than 60 minites on the micro-hardness, coated thickness, atomic distribution of Ti and adhesion strength of the SKH51 steels, but that the coating time has little influence on the surface roughness.

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