• Bulletin of the Korean Chemical Society
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• v.18 no.4
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• pp.415-424
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• 1997

Conformational flexibilities of the GlcNAc(β1,3)Gal(β)OMe are investigated through NMR spectroscopy and molecular modeling. Adiabatic energy map generated with a dielectric constant of 50 contains three local minima. All of the molecular dynamics simulations on three local minimum energy structures show fluctuations between two low energy structures, N2 at φ=80° and ψ=60° and N3 at φ=60° and ψ=-40°. We have presented adequate evidences to state that GlcNAc(β1,3)Gal(β)OMe exists in two conformationally discrete forms. Two state model of N2 and N3 conformers with a population ratio of 40:60 is used to calculate the effective cross relaxation rate and reproduces the experimental NOEs very well. Molecular dynamics simulation in conjunction with two state model proves successfully the dynamic equilibrium existed in GlcNAc(β1,3)Gal(β)OMe and can be considered as a powerful method to analyze the motional properties in the structure of carbohydrate. This observation also cautions against the indiscriminate use of a rigid model to analyze NMR data.

• Bulletin of the Korean Chemical Society
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• v.16 no.12
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• pp.1184-1189
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• 1995

The rapid quenching dynamics of F center excitation by OH- defects in KCl crystals are investigated by monitoring ground state absorption bleach recovery, using a picosecond streak camera absorption spectrometer. F center absorption bleach in OH--doped crystals shows three distinguishable recovery components with the current temporal resolution, designated as slow, medium and fast components. The slow one is due to the normal relaxation process of F* centers as found in OH--free crystals. The others are consequent on energy transfer from electronically excited F centers to OH--vibrational levels. The fast component is a minor energy transfer process and resulting from the relaxation of somewhat distant, not the closest, associated pairs of F* and OH- defects. The energy transfer between widely separated F* and OH- defects opens up a recovery process via the medium component which is assisted by OH- librations, lattice vibrations and OH- dipole reorientations. The quenching behaviors of F* luminescence and photoionization by OH- are explained well by the relaxation process of the medium component.

• Proceedings of the Korean Nuclear Society Conference
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• 1998.05b
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• pp.957-962
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• 1998

As the first stage accelerator of the Korea Multipurpose Accelerator Complex (KOMAC) 1GeV proton linac, a 350MHZ, cw Radio-Frequency Quadrupole (RFQ) will be built to produce 20㎃ of 3Mev. High current RFQ with cw operation is a major program in the KOMAC project to understand beam dynamics, engineering design, construction, control and diagnostics techniques. The beam dynamics and the engineering design of RFQ are described and the present status of the KOMAC RFQ project is discussed.

• Journal of Advanced Marine Engineering and Technology
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• v.38 no.2
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• pp.217-224
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• 2014

We have developed the novel device that can extract energy from ocean waves utilizing the heaving motion of a floating mass. The major components of the energy converter are: a floater, a counterweight, a cable, a driving pulley, two idler pulleys, a ratchet, and a generator. The device generates power through the tension force in the cable and the weight difference between the floater and the counterweight. When the system is at static free condition, the tension in the cable is equal to the weight of the counterweight which is minimum. Therefore it is desirable to keep the counterweight lighter than the floater. However, experiments show that during the rise of the water level, the torque generated by weight of the counterweight is insufficient to rotate the driving pulley which causes the cable on the floater side to slack. The proposed application of the tension pulley rectifies these problems by preventing the cable from becoming slack when the water level rises. In this paper, the dynamics model is modified to incorporate the dynamics of the tension pulley. This has been achieved by first writing the dynamical equations for the tension pulley and the energy converter separately and combining them later. This paper investigates numerically the effect of the tension pulley on various physical quantities such as the cable tension, the floater displacement, and the floater velocity. Results obtained indicate that this application is successful in suppressing large fluctuations of the cable tension.

• Journal of Energy Engineering
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• v.18 no.2
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• pp.125-131
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• 2009

Physical characteristics of metals such as hardness, wear-resistance and corrosion-resistance can be artificially controlled by ion implantation. The interaction between ion and solid surface was modeled in molecular scale and simulated by the molecular dynamics method in order to understand the ion implantation mechanism. From the microscopic point of view, the molecular behaviors were observed for improving characteristics of ion implantation. For these purposes, the implantation mechanism and the influences of incident energy, surface temperature and molecular weight were discussed in this study. As the results, the penetration probability was even decreased if incident energy was exceeded any values in the case of high temperature of solid surface. Moreover, it was confirmed that ion implantation into solid surface with amorphous state could be more effective for some conditions.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.32 no.7
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• pp.60-68
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• 2004

High velocity impacts are accompanied with large deformations, which generate a large amount of heat due to plastic works, resulting in a significant temperature rise of the material. Because the elevated temperature affects the dynamic properties of materials, it is important to predict the temperature rise during high-stram-rate deformations. Both existing vacancies and excess vacancies are credited to the stored energy, yet it is difficult to distinguish one from another in contribution to the stored energy using macroscopic level materials models. In this study, an atomistic material model for fee materials such as copper is set up to calculate the stored energy using molecular dynamics (MD) simulations. It is concluded that excess vacancies play an important role for the stored energy during a high-strain-rate deformation.

• Applied Chemistry for Engineering
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• v.30 no.1
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• pp.95-101
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• 2019

The cremation rate of Korea in 2016 was 82.7% which is four times greater than 20.5% in 1994. As increasing the cremation rate gradually, it cause a shortage of cremation facilities resulting in building more cremation facilities to meet the increasing inquiries on cremation or a large amount of fuels for the longer operation of the crematory. In this study, the crematory system optimizing its thermal efficiency characteristics and also responding to increasing inquiries on cremation was proposed in order for solving such problems, In particular, the heat flow characteristics including a heat transfer coefficient by performing a simulation using computational fluid dynamics (CFD) was investigated. The CFD model was validated with on-site experiments for a cremation facility. As a result of the simulation, the fuel consumption decreased nearly 25% and residence time increased in the main combustor. Also, the improved crematory was constructed with an expanded combustor, heat exchanger, second combustion air system, refractory and insulation material. From on-site experiments, the energy consumption was saved to approximately 54.4%, while the burning time reduced nearly 20 minutes.

• Membrane Journal
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• v.30 no.6
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• pp.433-442
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• 2020

In this study, in order to build a molecular dynamics simulation model of ionomer for water electrolysis, an ionomer model that reflects the characteristics of a water electrolysis system in which excess water molecules exist was compared to an ionomer built according to the conventional simulation method of the fuel cells membrane. The final ionomer MD models have a strong phase separation and water channel that is one of the important characteristics of the perfluorinated ionomer, and are stable and water-insoluble under excessive water and high temperature conditions. In the ionomer MD models built in this study, the excess water molecules decrease an ion conductivity due to the dilution of ions, but increase a hydrogen diffusivity. Therefore, it is necessary to design the molecular structure of ionomers for water electrolysis in experimental studies as well as molecular dynamics studies according to the characteristics of the water electrolysis system reported in this study.

• Journal of Korean Society of Water and Wastewater
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• v.26 no.4
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• pp.555-563
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• 2012

Due to the importance of energy-saving and CO2 reduction is being emphasized in the world, efforts to find a solution for the problems is increasing rapidly. In particular, the renewable energy is on understanding as a breakthrough for the protection of the environment and the economic development, so it is intensively fostered as future industries. Developed countries are already pursuing policy and technology development related with renewable energy. In this paper, we will develop MHD(Magneto Hydro Dynamics) technology to supply the commercial power that can is targeted at water pipe related with hydro power among renewable energy technologies. Kinetic energy of fluid flowing in the water pipe is converted into electric power. It allows stable power supply to the various sensors and devices on water pipe. We have performed several experiments to verify the application possibility of the developed technologies and present the result and a method of performance improvement of the technologies.

• Journal of the Korean Solar Energy Society
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• v.30 no.6
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• pp.137-143
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• 2010

In this study, the ejector design was modeled using Fluent 6.3 of FVM(Finite Volume Method) CFD(Computational Fluid Dynamics) techniques to resolve the flow dynamics in the ejector. A vacuum system with the ejector has been widely used because of its simple construction and easy maintenance. Ejector is the main part of the desalination system, of which designs determine the efficiency of system. The effects of the ejector was investigated geometry and the operating conditions in the hydraulic characteristics. The ejector consists mainly of a nozzle, suction chamber, mixing tube(throat), diffuser and draft tube. Liquid is supplied to the ejector nozzle, the fast liquid jet produced by the nozzle entrains and the non condensable gas was sucked into the mixing tube. In the present study, the multiphase CFD modeling was carried out to determine the hydrodynamic characteristics of seawater-air ejector. Two-dimensional geometry was considered with the quadrilateral-mashing scheme. The gas suction rate increases with increasing Motive flow circulating rate.