• Title/Summary/Keyword: Atomic structure

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Molecular Structure of Muscle Filaments Determined by Electron Microscopy

  • Craig, Roger
    • Applied Microscopy
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    • v.47 no.4
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    • pp.226-232
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    • 2017
  • Electron microscopy and X-ray diffraction have together played a key role in our understanding of the molecular structure and mechanism of contraction of muscle. This review highlights the role of electron microscopy, from early insights into thick and thin filament structure by negative staining, to studies of single myosin molecule structure, and finally to recent high-resolution structures by cryo-electron microscopy. Muscle filaments are designed for movement. Their labile structures thus present challenges to obtaining near-atomic detail, which are also discussed.

Control of Block Copolymer Microdomain: In-Situ and Real-Time SANS Studies of Polymerization-Induced Self-assembly of Block Copolymer Microdomain Structure

  • Koizumi, Satoshi;Yamauchi, Kazuhiro;Hasegawa, Hirokazu;Tanaka, Hirokazu;Motokawa, Ryuhei;Hashimoto, Takeji
    • Proceedings of the Polymer Society of Korea Conference
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    • 2006.10a
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    • pp.71-72
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    • 2006
  • We investigated a simultaneous living anionic polymerization process of isoprene (I) and 4styrene-d_8$ (S) in $benzene-d_6$ as a solvent with sec-buthyllithium as an initiator into polyisoprene(PI)-block-poly($styrene-d_8$)(PS) and the polymerization-induced molecular self-assembling process. This process was observed in-situ by time-resolved small-angle neutron scattering (SANS) experiment. The SANS profiles measured exhibited three time regions, where (i) the selective growth of PI chains occurs; (ii) the living chain ends switch from isoprenyllithium to styryllithium, and (iii) the SANS exhibited the polymerization induced disorder-to-order transition and order-to-order transition.

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Theoretical Study of the N-(2,5-Methylphenyl)salicylaldimine Schiff Base Ligand: Atomic Charges, Molecular Electrostatic Potential, Nonlinear Optical (NLO) Effects and Thermodynamic Properties

  • Zeyrek, Tugrul C.
    • Journal of the Korean Chemical Society
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    • v.57 no.4
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    • pp.461-471
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    • 2013
  • Optimized geometrical structure, atomic charges, molecular electrostatic potential, nonlinear optical (NLO) effects and thermodynamic properties of the title compound N-(2,5-methylphenyl)salicylaldimine (I) have been investigated by using ab initio quantum chemical computational studies. Calculated results showed that the enol form of (I) is more stable than keto form. The solvent effect was investigated for obtained molecular energies, hardneses and the atomic charge distributions of (I). Natural bond orbital and frontier molecular orbital analysis of the title compound were also performed. The total molecular dipole moment (${\mu}$), linear polarizability (${\alpha}$), and first-order hyperpolarizability (${\beta}$) were calculated by B3LYP method with 6-31G(d), 6-31+G(d,p), 6-31++G(d,p), 6-311+G(d) and 6-311++G(d,p) basis sets to investigate the NLO properties of the compound (I). The standard thermodynamic functions were obtained for the title compound with the temperature ranging from 200 to 450 K.

Effect of Cooling Rate on the Behavior of the Embrittlement in Zircaloy-4 Cladding (냉각속도가 지르칼로이-4 피복관의 취성에 미치는 영향)

  • Kim, Jun Hwan;Lee, Myoung Ho;Choi, Byoung Kwon;Jeong, Yong Hwan
    • Journal of the Korean Society for Heat Treatment
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    • v.18 no.2
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    • pp.112-118
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    • 2005
  • Study was focused on the effect of the cooling rate on the embrittlement behavior of Zircaloy-4 cladding simulated Loss Of Coolant Accident (LOCA) environment. Claddings were oxidized at given temperature and given time followed by various water quenching in the range of $0.6^{\circ}C$ and $100^{\circ}C$ per second. Cladding failed after water quenching above the threshold oxidation. Threshold oxidation was decreased as the cooling rate increased, which is due to the matensite structure formed during fast cooling rate.

Performance of Gas Electron Multiplier (GEM) detector

  • Han, S.H.;Moon, B.S.;Kim, Y.K.;Chung, C.E.;Kang, H.D.;Cho, H.S.
    • Journal of Radiation Protection and Research
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    • v.28 no.4
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    • pp.343-348
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    • 2003
  • We have investigated in detail the operating properties of Gas Electron Multiplier (GEM) detectors with a double conical and a cylindrical structure in a wide range of external fields and GEM voltages. With the double conical GEM, the gain gradually increased with time by 10%; whereas this surface charging was eliminated with the cylindrical GEM. Effective gains above 1000 were easily observed over a wide range of collection field strengths in a gas mixture of $Ar/CO_2(70/30)$. The transparency and electron collection efficiency were found to depend on the ratio of external field and the applied GEM voltage; the mutual influence of both drift and collection fields was found to be trivial.

A SIMPLE METHOD TO CALCULATE THE DISPLACEMENT DAMAGE CROSS SECTION OF SILICON CARBIDE

  • Chang, Jonghwa;Cho, Jin-Young;Gil, Choong-Sup;Lee, Won-Jae
    • Nuclear Engineering and Technology
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    • v.46 no.4
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    • pp.475-480
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    • 2014
  • We developed a simple method to prepare the displacement damage cross section of SiC using NJOY and SRIM/TRIM. The number of displacements per atom (DPA) dependent on primary knock-on atom (PKA) energy was computed using SRIM/TRIM and it is directly used by NJOY/HEATR to compute the neutron energy dependent DPA cross sections which are required to estimate the accumulated DPA of nuclear material. SiC DPA cross section is published as a table in DeCART 47 energy group structure. Proposed methodology can be easily extended to other materials.

Advantages of Acoustic Leak Detection System Development for KALIMER Steam Generators

  • Kim, Tae-Joon;Valery S. Yughay;Hwang, Sung-Tai;Chai, Jeong-Kyung;Choi, Jong-Hyeun
    • Nuclear Engineering and Technology
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    • v.33 no.4
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    • pp.423-440
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    • 2001
  • For sodium cooling liquid metal reactors during the last 25 years, it was most important to verify the safety of the steam generator, which absolutely requires a water leak detection system with fine sensitivity and response. This study describes the structure and leak classification of the HAMMER (Korea Advanced Liquid Metal Reactor) steam generator, compared with other classifications, and explains the effects of leak development. The requirements and experimental situations for the development of the KALIMER acoustic leak detection system (KADS) which detects micro leaks, not intermediate leaks, are introduced. We proposed four frequency bands, 1∼8kHz, 8∼20kHz, 20∼40kHz and 40∼200kHz, split effectively for analyzing the detected acoustic leak signals obtained from the sodium-water reaction model or water model in the mock-up system.

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The Effect of Pre-compaction on Density and Mechanical Properties of Magnetic Pulsed and Sintered $Al_2O_3$ Bulk

  • Hong, S.J.;Lee, J.K.;Lee, M.K.;Kim, W.W.;Rhee, C.K.
    • Proceedings of the Korean Powder Metallurgy Institute Conference
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    • 2006.09b
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    • pp.967-968
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    • 2006
  • This research reports for the successful consolidation of $Al_2O_3$ powder with retained ultra-fine structure using MPC and sintering. Measurements in the consolidated $Al_2O_3$ bulk indicated that hardness, fracture toughenss, and breakdown voltage have been much improved relative to the conventional polycrystalline materials. Finally, optimization of the compaction parameters and sintering conditions will lead to the consolidation of $Al_2O_3$ nanopowder with higher density and even further enhanced mechanical properties.

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Multiple Scale Processes in Microstructural Evolution: Case Study of Self-Reinforced β-Si3N4

  • Becher, Paul F.
    • Journal of the Korean Ceramic Society
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    • v.53 no.6
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    • pp.575-580
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    • 2016
  • Microstructural design of ceramics has generally focused on information gathered at the micro- and macro-scales and related this to how specific properties could be improved. Ceramic processing serves as the key to optimizes the final microstructure. However, the advent of nano-scale microstructures and highly advanced characterization tools are forcing us to develop new knowledge of what is occurring not just at the micro-scale but also at the atomic level. Thus we are now beginning to be able to address how microstructure is influenced by events at the atomic scale using atomic scale images and data. Theoreticians have joined us in interpreting the mechanisms involved in the "microstructural" evolution at multiple scales and how this can be used to enhance specific properties of ceramics. The focus here is on delving into the various layers the "microstructure" in order understand how atomic-scale events influence the structure and properties of ceramics.

Cell Based CMFD Formulation for Acceleration of Whole-core Method of Characteristics Calculations

  • Cho, Jin-Young;Joo, Han-Gyu;Kim, Kang-Seog;Zee, Sung-Quun
    • Nuclear Engineering and Technology
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    • v.34 no.3
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    • pp.250-258
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    • 2002
  • This Paper is to apply the well-established coarse mesh finite difference(CMFD) method to the method of characteristics(MOC) transport calculation as an acceleration scheme. The CMFD problem is first formulated at the pin-cell level with the multi-group structure To solve the cell- based multi-group CMFD problem efficiently, a two-group CMFD formulation is also derived from the multi-group CMFD formulation. The performance of the CMFD acceleration is examined for three test problems with different sizes including a realistic quarter core PWR problem. The CMFD formulation provides a significant reduction in the number of ray tracings and thus only about 9 ray tracing iterations are enough for the realistic problem. In computing time, the CMFD accelerated case is about two or three times faster than the coarse-mesh rebalancing(CMR) accelerated case.