• 제목/요약/키워드: Small group dynamics

검색결과 46건 처리시간 0.024초

OVERVIEW OF RECENT EFFORTS THROUGH ROSA/LSTF EXPERIMENTS

  • Nakamura, Hideo;Watanabe, Tadashi;Takeda, Takeshi;Maruyama, Yu;Suzuki, Mitsuhiro
    • Nuclear Engineering and Technology
    • /
    • 제41권6호
    • /
    • pp.753-764
    • /
    • 2009
  • JAEA started the LSTF experiments in 1985 for the fourth stage of the ROSA Program (ROSA-IV) for the LWR thermal-hydraulic safety research to identify and investigate the thermal-hydraulic phenomena and to confirm the effectiveness of ECCS during small-break LOCAs and operational transients. The LSTF experiments are underway for the ROSA-V Program and the OECD/NEA ROSA Project that intends to resolve issues in thermal-hydraulic analyses relevant to LWR safety. Six types of the LSTF experiments have been done for both the system integral and separate-effect experiments among international members from 14 countries. Results of four experiments for the ROSA Project are briefly presented with analysis by a best-estimate (BE) code and a computational fluid dynamics (CFD) code to illustrate the capability of the LSTF and codes to simulate the thermal-hydraulic phenomena that may appear during SBLOCAs and transients. The thermal-hydraulic phenomena dealt with are coolant mixing and temperature stratification, water hammer up to high system pressure, natural circulation under high core power condition, and non-condensable gas effect during asymmetric SG depressurization as an AM action.

Theoretical Studies on Mechanism and Kinetics of the Hydrogen-Abstraction Reaction of CF3CH2CHO with OH Radicals

  • Ci, Cheng-Gang;Yu, Hong-Bo;Wan, Su-Qin;Liu, Jing-Yao;Sun, Chia-Chung
    • Bulletin of the Korean Chemical Society
    • /
    • 제32권4호
    • /
    • pp.1187-1194
    • /
    • 2011
  • The hydrogen abstraction reaction of $CF_3CH_2CHO$ + OH has been studied theoretically by dual-level direct dynamics method. Two stable conformers, trans- and cis-$CF_3CH_2CHO$, have been located, and there are four distinct OH hydrogen-abstraction channels from t-$CF_3CH_2CHO$ and two channels from c-$CF_3CH_2CHO$. The required potential energy surface information for the kinetic calculation was obtained at the MCG3-MPWB//M06-2X/aug-cc-pVDZ level. The rate constants, which were calculated using improved canonical transitionstate theory with small-curvature tunneling correction (ICVT/SCT) were fitted by a four-parameter Arrhenius equation. It is shown that the reaction proceeds predominantly via the H-abstraction from the -CHO group over the temperature range 200-2000 K. The calculated rate constants were in good agreement with the experimental data between 263 and 358 K.

Molecular Docking and Kinetic Studies of the A226N Mutant of Deinococcus geothermalis Amylosucrase with Enhanced Transglucosylation Activity

  • Hong, Seungpyo;Siziya, Inonge Noni;Seo, Myung-Ji;Park, Cheon-Seok;Seo, Dong-Ho
    • Journal of Microbiology and Biotechnology
    • /
    • 제30권9호
    • /
    • pp.1436-1442
    • /
    • 2020
  • Amylosucrase (ASase, E.C. 2.4.1.4) is capable of efficient glucose transfer from sucrose, acting as the sole donor molecule, to various functional acceptor compounds, such as polyphenols and flavonoids. An ASase variant from Deinococcus geothermalis, in which the 226th alanine is replaced with asparagine (DgAS-A226N), shows increased polymerization activity due to changes in the flexibility of the loop near the active site. In this study, we further investigated how the mutation modulates the enzymatic activity of DgAS using molecular dynamics and docking simulations to evaluate interactions between the enzyme and phenolic compounds. The computational analysis revealed that the A226N mutation could induce and stabilize structural changes near the substrate-binding site to increase glucose transfer efficiency to phenolic compounds. Kinetic parameters of DgAS-A226N and WT DgAS were determined with sucrose and 4-methylumbelliferone (MU) as donor and acceptor molecules, respectively. The kcat/Km value of DgAS-A226N with MU (6.352 mM-1min-1) was significantly higher than that of DgAS (5.296 mM-1min-1). The enzymatic activity was tested with a small phenolic compound, hydroquinone, and there was a 1.4-fold increase in α-arbutin production. From the results of the study, it was concluded that DgAS-A226N has improved acceptor specificity toward small phenolic compounds by way of stabilizing the active conformation of these compounds.

란시아이트-다카네라이트 고용체 결정구조에 대한 분자동역학 시뮬레이션 연구 (A Molecular Dynamics Simulation Study of Ranciéite-takanelite Solid Solution Crystal Structures)

  • 한수연;권기덕
    • 광물과 암석
    • /
    • 제33권1호
    • /
    • pp.19-28
    • /
    • 2020
  • 란시아이트(ranciéite)는 수화된 Ca2+ 양이온이 망간 원자 빈자리를 아래위로 덮고 층간을 채우고 있는 육방정계 층상형 산화망간광물(phyllomanganates)이다. 망간 원자 빈자리를 Mn2+ 양이온이 더 우세하게 채우는 경우, 다카네라이트(takanelite)라는 광물로 구분하며, 란시아이트와 다카네라이트는 서로 고용체를 이룬다. 이 광물들은 입자크기가 매우 작고 다른 광물과 함께 산출되기 때문에 실험만으로 정확한 결정구조를 규명하기 어렵다. 이번 연구에서는 층간 Mn2+/Ca2+ 양이온 비율에 따른 란시아이트-다카네라이트의 결정구조와 층간 구조를 규명하기 위해 고전분자동역학 시뮬레이션(molecular dynamics simulations; MD)을 수행하였다. 연구방법의 적합성을 판단하기 위해 결정구조가 잘 알려진 칼코파나이트 군(chalcophanite group) 광물들에 대해 시뮬레이션 계산을 수행 후 실험 결과와 비교하였다. 이후 층간 양이온 비율에 따른 란시아이트 및 다카네라이트 모델에 대한 MD 시뮬레이션을 수행하여 양이온 함량에 따른 양이온과 물 분자의 분포 및 (001)면간거리를 제시한다.

Hydrogen Bonding Analysis of Hydroxyl Groups in Glucose Aqueous Solutions by a Molecular Dynamics Simulation Study

  • Chen, Cong;Li, Wei Zhong;Song, Yong Chen;Weng, Lin Dong;Zhang, Ning
    • Bulletin of the Korean Chemical Society
    • /
    • 제33권7호
    • /
    • pp.2238-2246
    • /
    • 2012
  • Molecular dynamics simulations have been performed to investigate hydrogen bonding characteristics of hydroxyl groups in glucose aqueous solutions with different concentrations. The hydrogen bonding abilities and strength of different O and H atom types have been calculated and compared. The acceptor/donor efficiencies have been predicted and it has been found that: (1) O2-HO2 and O3-HO3 are more efficient intramolecular hydrogen bonding acceptors than donors; (2) O1-HO1, O4-HO4 and O6-HO6 are more efficient intramolecular hydrogen bonding donors than acceptors; (5) O1-HO1 and O6-HO6 are more efficient intermolecular hydrogen bonding acceptors than donors while hydroxyl groups O2-HO2 and O4-HO4 are more efficient intermolecular hydrogen bonding donors than acceptors. The hydrogen bonding abilities of hydroxyl groups revealed that: (1) the hydrogen bonding ability of OH2-$H_w$ is larger than that of hydroxyl groups in glucose; (2) among the hydroxyl groups in glucose, the hydrogen bonding ability of O6-HO6 is the largest and the hydrogen bonding ability of O4-HO4 is the smallest; (3) the intermolecular hydrogen bonding ability of O6-HO6 is the largest; (4) the order for intramolecular hydrogen bonding abilities (from large to small) is O2-HO2, O1-HO1, O3-HO3, O6-HO6 and O4-HO4.

GRAPHICALITY, C0 CONVERGENCE, AND THE CALABI HOMOMORPHISM

  • Usher, Michael
    • 대한수학회보
    • /
    • 제54권6호
    • /
    • pp.2043-2051
    • /
    • 2017
  • Consider a sequence of compactly supported Hamiltonian diffeomorphisms ${\phi}_k$ of an exact symplectic manifold, all of which are "graphical" in the sense that their graphs are identified by a Darboux-Weinstein chart with the image of a one-form. We show by an elementary argument that if the ${\phi}_k$ $C^0$-converge to the identity, then their Calabi invariants converge to zero. This generalizes a result of Oh, in which the ambient manifold was the two-disk and an additional assumption was made on the Hamiltonians generating the ${\phi}_k$. We discuss connections to the open problem of whether the Calabi homomorphism extends to the Hamiltonian homeomorphism group. The proof is based on a relationship between the Calabi invariant of a $C^0$-small Hamiltonian diffeomorphism and the generalized phase function of its graph.

Evaluation of Wheel-based Mobile Robot Performance for Simple Environmental Obstacles

  • Hong, Ju-Pyo;Ko, Deo-Hyeon;Rhim, Sung-Soo;Lee, Soon-Geul;Kim, Kyu-Ro
    • 제어로봇시스템학회:학술대회논문집
    • /
    • 제어로봇시스템학회 2004년도 ICCAS
    • /
    • pp.1491-1495
    • /
    • 2004
  • For the evaluation of the mobile robot performance in complex environments, the experimental approach in an actual physical environment has been commonly taken. In the physical experimental approach, however, it is quite difficult to define the proper environment for the evaluation due to the lack of commonly agreed characteristics of the test environment. Particularly the number of combinations of types and physical parameters of the obstacles that the mobile robot is expected to deal with is practically unlimited. In an effort to simplify and improve the effectiveness of the evaluation process, we propose an evaluation method using decomposed environmental elements, where we evaluated the performance of the robot for a small group of simple and decomposed obstacle components, for examples projection and slope, instead of a large group of complicated random obstacles. The paper describes a set of simple obstacle models and performance parameters that we have chosen for the effective evaluation process. As an alternative to the physical experimental evaluation approach, in this paper, we used a virtual evaluation environment where the robot and the physical test environment has been modeled using a commercial multi-body dynamics analysis packaged called RecurDyn.

  • PDF

Tiny Pores Observed by New Solar Telescope and Hinode

  • 조경석;봉수찬;채종철;김연한;박영득
    • 천문학회보
    • /
    • 제36권1호
    • /
    • pp.37.2-37.2
    • /
    • 2011
  • Our previous study on tiny pores (R < 2") observed by HINODE/Solar Optical Telescope (SOT) revealed that the plasma in the pores at the photosphere is always moving down and the pores are surrounded by the strong downward motions (highly red-shifted) of neighboring granulations. From this study, we speculated that the flow motions above the pore should be related with the motions at the photosphere, since the pore is strong magnetic field region. Meanwhile, SNU and KASI installed Fast Imaging Solar Spectrograph (FISS) in the Cude room of the 1.6 m New Solar Telescope (NST) at Big Bear Solar Observatory. FISS is a unique system that can do imaging of H-alpha and Ca II 8542 band simultaneously, which is quite suitable for studying of dynamics of chromosphere. To get some clue on the relationship between the photospheric and low-chromospheric motions at the pore region, we took a coordinate observation with NST/FISS and Hinode/SOT for new emerging active region (AR11117) on October 26, 2010. In the observed region, we could find two tiny pores and two small magnetic islands (SMIs), which have similar magnetic flux with the pores but does not look dark. Magnetic flux density and Doppler velocities at the photosphere are estimated by applying the center-of-gravity (COG) method to the HINODE/spectropolarimeter (SP) data. The line-of-sight motions above the photosphere are determined by adopting the bisector method to the wing spectra of Ha and CaII 8542 lines. As results, we found the followings. (1) There are upflow motion on the pores and downflow motion on the SMIs. (2) Towards the CaII 8542 line center, upflow motion decrease and turn to downward motion in pores, while the speed of down flow motion increases in the SMIs. (3) There is oscillating motion above pores and the SMIs, and this motion keep its pattern along the height. (4) As height increase, there is a general tendency of the speed shift to downward on pores and the SMIs. This is more clearly seen on the other regions of stronger magnetic field. In this talk, we will present preliminary understanding of the coupling of pore dynamics between the photosphere and the low-chromosphere.

  • PDF

Vertical distribution and seasonal changes of phytoplankton communities in the Hoe-Dong Reservoir

  • Jung-Gon, Kim;Su-Youn, Kim;Sun-Hee, Kwon;Sangkyun, LEE;Gea-Jae, Joo
    • 한국환경과학회:학술대회논문집
    • /
    • 한국환경과학회 2000년도 정기총회 및 봄 학술발표회
    • /
    • pp.251-254
    • /
    • 2000
  • In this study, we investigated vertical distribution and seasonal changes of phytophlankton community in the Hae-Dong Reservoir from March 1999 to Feburary 2000. This reservoir is relativly small (surface area, 2.7 $km^2$) and is the source of drinking water supply to the eastern part of Pusan City. Samples were collected at 2 sites (1, 3, and 6 m; site 1, in front of the dam; site 2, inlet). The dominant group was Bacillriophyceae at both sites (over 63%), and other groups exhibited seasonal changes (high cyanobacterial density in summer; green algal communities in winter). Chrysophyceae and Dinophyceae were maintained lower level during the study period. Along the water depth, all classess of phytoplankton did not show distintive vertical distribution at both sites except during the blue-green algal bloom in the middle of July and late September. The phytoplankton community dynamics in the Hoe-Dong Reservoir was strongly affected by the hydrological factors such as concentrated precipitation and short retention time.

  • PDF

자영업부문(自營業部門)을 중심(中心)으로 한 노동력(勞動力)의 유동(流動) (Labor Market Dynamics in the Self-employed Sector in Korea)

  • 류재우;최호영
    • 노동경제논집
    • /
    • 제23권1호
    • /
    • pp.137-165
    • /
    • 2000
  • 본 연구는 자영업부문을 중심으로 한 노동력의 유동 패턴을 분석하였는데, 실업 및 비경제활동을 경유하는 노동력 유동이 중요한 비중을 차지하기는 하지만 그것은 일부의 한계적 노동자에게 집중된 현상인 것임을 보였다. 그러나 자영업주 중에서의 이들 한계적인 노동자의 비중은 적어도 외환위기 전까지는 지속적으로 축소됨으로 해서 자영업주의 평균적인 질과 취업 안정성은 높아져 온 것으로 나타난다. 한편 자영업에 종사한 경험이 있는 자의 비용, 자영업을 장기간 지속할 확률 등은 1990년을 기점으로 감소세에서 증가세로 반전된 것으로 나타난다. 이는 취업자 중의 자영업주 비중의 시계열적인 변화와 일치하는 것으로서 이들 자영업 경험률 및 지속기간의 변화가 자영업주 비중의 시계열상의 변화를 일정부분 설명할 수 있음을 보여준다.

  • PDF