• Korean System Dynamics Review
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• v.5 no.2
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• pp.89-123
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• 2004

Using materials recovered from the waste stream instead of virgin resources as a raw material in manufacturing has great environmental and economic benefits. However, there is lack of public interest in needs for integrated waste management and its relevant facilities, because of NIMBY syndrome, This article has proposed a system dynamics model for the study of the potential and systemic consequences of resource circulation management system(RCMS) policy for a Sudokwon landfill site in Korea. The results of the study indicate that the effects of RCMS are seen continuously to increase in term with both the community welfare level and the resource and energy level. Moreover the effects of RCMS appear sharply in the first half of the simulation period.

• Journal of Integrative Natural Science
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• v.7 no.2
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• pp.75-78
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• 2014

Computer-aided drug design uses computational chemistry to discover, enhance, or study drugs and related biologically active molecules. It is now proved to be effective in reducing costs and speeding up drug discovery. In this short review, we discussed on the importance of combining molecular docking and molecular dynamics simulation methodologies. We also reviewed the importance of protein flexibility, refinement of docked complexes using molecular dynamics and the use of free energy calculations for the calculation of accurate binding energies has been reviewed.

• Bulletin of the Korean Chemical Society
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• v.30 no.12
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• pp.2962-2968
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• 2009

The photodissociation dynamics of 1,2-bromochloroethane ($C_2H_4BrCl$) was investigated near 234 nm. A two-dimensional photofragment ion-imaging technique coupled with a [2+1] resonance-enhanced multiphoton ionization scheme was utilized to obtain speed and angular distributions of the nascent Br($^2P_{3/2}$) and Br${\ast}($^2P_{1/2}$) atoms. The total translational energy distributions for the Br and Br${\ast}$ channels were well characterized by Gaussian functions with average translational energies of 100 and 84 kJ/mol, respectively. The recoil anisotropies for the Br and Br${\ast}$ channels were measured to be ${\beta}$ = 0.49 ${\pm}$ 0.05 for Br and 1.55 ${\pm}$ 0.05 for Br${\ast}$. The relative quantum yield for Br${\ast}$ was found to be ${\Phi}_{Br{\ast}}$ = 0.33 ${\pm}$ 0.03. The probability of nonadiabatic transition between A' states was estimated to be 0.46. The relevant nonadiabatic dynamics is discussed in terms of interaction between potential energy surfaces in Cs symmetry.

• Proceedings of the Korean Nuclear Society Conference
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• 2004.10a
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• pp.1451-1452
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• 2004

• Proceedings of the Korean Nuclear Society Conference
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• 2004.10a
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• pp.755-756
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• 2004

• Proceedings of the Korean Nuclear Society Conference
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• 2001.10a
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• pp.121-121
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• 2001

• International Journal of Vascular Biomedical Engineering
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• v.2 no.1
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• pp.11-16
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• 2004

Both flow visualizations and computational fluid dynamics were performed to determine hemodynamics in a total cavopulmonary connection (TCPC) model for surgically correcting congenital heart defects. From magnetic resonance images, an anatomically correct glass model was fabricated to visualize steady flow. The total flow rates were 4, 6 and 8L/min and flow rates from SVC and IVC were 40:60. The flow split ratio between LPA and RPA was varied by 70:30, 60:40 and 50:50. A pressure-based finite-volume software was used to solve steady flow dynamics in TCPC models. Results showed that superior vena cava(SVC) and inferior vena cava(IVC) flow merged directly to the intra-atrial conduit, creating two large vortices. Significant swirl motions were observed in the intra-atrial conduit and pulmonary arteries. Flow collision or swirling flow resulted in energy loss in TCPC models. In addition, a large intra-atrial channel or a sharp bend in TCPC geometries could influence on energy losses. Energy conservation was efficient when flow rates in pulmonary branches were balanced. In order to increase energy efficiency in Fontan operations, it is necessary to remove a flow collision in the intra-atrial channel and a sharp bend in the pulmonary bifurcation.

• Bulletin of the Korean Chemical Society
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• v.35 no.3
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• pp.858-864
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• 2014

Recently, many researches have shown that even photosynthetic light-harvesting pigment-protein complexes can have quantum coherence in their excitonic energy transfer at cryogenic and physiological temperatures. Because the protein supplies such noisy environment around pigments that conventional wisdom expects very short lived quantum coherence, elucidating the mechanism and searching for an applicability of the coherence have become an interesting topic in both experiment and theory. We have previously studied the quantum coherence of a phycocyanin 645 complex in a marine algae harvesting light system, using Poisson mapping bracket equation (PBME). PBME is one of the applicable methods for solving quantum-classical Liouville equation, for following the dynamics of such pigment-protein complexes. However, it may suffer from many defects mostly from mapping quantum degrees of freedom into classical ones. To make improvements against such defects, benchmarking targets with more accurately described dynamics is highly needed. Here, we fall back to reduced hierarchical equation of motion (HEOM), for such a purpose. Even though HEOM is known to applicable only to simplified system that is coupled to a set of harmonic oscillators, it can provide ultimate accuracy within the regime of quantum-classical description, thus providing perfect benchmark targets for certain systems. We compare the evolution of the density matrix of pigment excited states by HEOM against the PBME results at physiological temperature, and observe more sophisticated changes of density matrix elements from HEOM. In PBME, the population of states with intermediate energies display only monotonically increasing behaviors. Most importantly, PBME suffers a serious issue of wrong population in the long time limit, likely generated by the zero-point energy leaking problem. Future prospects for developments are briefly discussed as a concluding remark.

• Nuclear Engineering and Technology
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• v.47 no.5
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• pp.523-533
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• 2015

Three-dimensional flow phenomena in a wire-wrapped 37-pin fuel assembly mock-up of a Japanese loop-type sodium-cooled fast reactor, Monju, were investigated with a numerical analysis using a general-purpose commercial computational fluid dynamics code, CFX. Complicated and vortical flow phenomena in the wire-wrapped 37-pin fuel assembly were captured by a Reynolds-averaged Navier-Stokes flow simulation using a shear stress transport turbulence model. The main purpose of the current study is to understand the three-dimensional complex flow phenomena in a wire-wrapped fuel assembly to support the license issue for the core design. Computational fluid dynamics results show good agreement with friction factor correlation models. The secondary flow in the corner and edge subchannels is much stronger than that in an interior subchannel. The axial velocity averaged in the corner and edge subchannels is higher than that averaged in the interior subchannels. Three-dimensional multiscale vortex structures start to be formed by an interaction between secondary flows around each wire-wrapped pin. Behavior of the large-scale vortex structures in the corner and edge subchannels is closely related to the relative position between the hexagonal duct wall and the helically wrapped wire spacer. The small-scale vortex is axially developed in the interior subchannels. Furthermore, a driving force on each wire spacer surface is closely related to the relative position between the hexagonal duct wall and the wire spacer.

• Proceedings of the Korean Nuclear Society Conference
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• 2005.10a
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• pp.502-503
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• 2005