• Bulletin of the Korean Chemical Society
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• 제20권10호
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• pp.1129-1135
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• 1999

Free energy perturbation and molecular dynamics simulations were carried out to investigate the relative binding affinities of [17] ketonand (1) toward alkali metal cations in methanol. The binding affinities of 1 toward the alkali metal cations were calculated to be in the order Li+ > Na+ > K+ > Rb+ > Cs+, whereas our recent theoretically predicted and experimentally observed binding affinities for [18]starand (2) were in the order K+ > Rb+ > Cs+ > Na+ > Li+. The extremely different affinities of 1 and 2 toward smaller cations, Li + and Na+ , were explained in terms of the differences in their ability to change the conformation to accommodate cations of different sizes. The carbonyl groups constituting the central cavity of 1 can reorganize to form a cavity with the optimal M+ -O distance, even for the smallest Li+, without imposing serious strain on 1. The highest affinity of 1 for Li+ was predominantly due to the highest Coulombic attraction between the smallest Li+ and the carbonyl oxygens of 1.

• 한국수소및신에너지학회논문집
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• 제30권1호
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• pp.29-34
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• 2019

Safety of hydrogen handling facilities is needed as supply of hydrogen cars has been expanded recently. In this study, the adequacy of safety regulations of hydrogen handling facilities and the risk of damage with hydrogen leakage were studied. The range of explosion hazard location of the hydrogen filling plant was investigated using the computational fluid dynamics (CFD) method, Explosive hazardous area is influenced by leakage type, hole size and sectional area. When the conditions of KS standard are applied, range explosive hazardous area is expanded 7.05 m, maximum. It is about 7 times larger than exceptional standard of hydrogen station. Meanwhile, distance from leakage point to 25% LEL of hydrogen is investigated 1.6 m. Considering the shape of charging hose, regulation of hydrogen station is appropriate.

• Nuclear Engineering and Technology
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• 제54권8호
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• pp.2783-2791
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• 2022

Molecular dynamics simulations were performed to predict the behavior of graphite atoms under neutron irradiation using large-scale atomic/molecular massively parallel simulator (LAMMPS) package with adaptive intermolecular reactive empirical bond order (AIREBOM) potential. Defect structures of graphite were compared with results from previous studies by means of density functional theory (DFT) calculations. The quantitative relation between primary knock-on atom (PKA) energy and irradiation damage on graphite was calculated. and the effect of PKA direction on the amount of defects is estimated by counting displaced atoms. Defects are classified into four groups: structural defects, energy defects, vacancies, and near-defect structures, where a structural defect is further subdivided into six types by decision tree method which is one of the supervised machine learning techniques.

• 한국수소및신에너지학회논문집
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• 제33권5호
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• pp.583-590
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• 2022

In this paper, the performance characteristics of the 2 vane pump for wastewater treatment were investigated using response surface method(RSM) with commercial computation fluid dynamics(CFD) software. Design variables of wastewater treatment pump were defined with the meridional plane of the 2 vane pump impeller. The objective functions were defined as the total head and the efficiency at the design flow rate. The hydraulic performance of optimum model was verified by numerical analysis and the reliability of the model was retained by comparison of numerical analysis and comparative analysis with the reference model.

• Nuclear Engineering and Technology
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• 제55권9호
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• pp.3326-3333
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• 2023

The results of the analysis of a mathematical modeling for the IBR-2M pulsed reactor dynamics for a transition from a power pulse repetition frequency of 5 Hz-10 Hz are presented. The change in the amplitude response of the reactor for variable pulse delayed neutron fraction was studied. We used a set of power feedback parameters determined experimentally in 2021 at an energy output of 1820 MW·day. At a pulse repetition frequency of 10 Hz, the amplitude of pulse energy oscillations significantly depends on the value of the delayed neutron fraction in pulse β_p. Depending on β_p both suppression and amplification of reactor power fluctuations in the frequency ranges of 0.05-0.20 and 1.25-5.00 Hz can be realized.

• 대한설비공학회:학술대회논문집
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• 대한설비공학회 2008년도 하계학술발표대회 논문집
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• pp.794-800
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• 2008

Due to high oil prices and global warming problems, researching an alternative energy source and decreasing the energy usage will be the key in the future. Unlike other alternative energy sources, geothermal energy is less dependent on the surrounding environment. Geothermal energy is the ideal energy source for buildings due to the simple and space saving installation. The system is semi permanent once it is installed and this will help reduce the energy usage in controlling the climate in buildings. Geothermal energy does not emit carbon dioxide and other gases that are harmful to the environment. Therefore geothermal energy will be the key in solving high oil prices and a decrease in fossil fuels by applying the geothermal energy system to detached house to counter future energy crisis.

• 대한기계학회논문집B
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• 제41권4호
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• pp.293-301
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• 2017

초임계 이산화탄소 발전사이클의 다양한 특성을 분석하기 위하여 Sub-kWe급의 소형 실험장치를 설계, 제작하였으며, 터보발전기를 개발하였다. 초임계 이산화탄소 발전용 터빈에서는 팽창비가 작고, 유량이 작기 때문에 터보발전기의 회전수가 높아지게 되고, 이에 따라 회전 부품의 선정, 터빈 공력설계, 축력 및 회전체 동역학 설계가 어려워지게 된다. 이에 터보발전기의 회전수를 줄이기 위하여 노즐의 여러 채널 중 1개의 노즐만 사용하는 부분유입 방법을 세계 최초로 초임계 이산화탄소 발전용 터보발전기에 적용하였으며, 회전체의 진동을 측정하여 부분유입 노즐을 적용함에도 회전체 안정성은 허용 범위내에 있음을 확인하였다.

• 한국전산구조공학회:학술대회논문집
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• 한국전산구조공학회 2004년도 봄 학술발표회 논문집
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• pp.9-16
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• 2004

This paper deals with the development of computational schemes for the dynamic analysis of flexible and nonlinear multibody systems. Different from the existing method, this paper introduces the quaternion algebra to develop the equation of the conservation of energy. Simultaneously, Rodrigues parameters are used to express the finite rotation for the proposed scheme. The proposed energy scheme is derived such that it provides unconditionally stable conditions for the nonlinear problems. Several examples of dynamic systems are presented which illustrate the efficiency and accuracy of the developed energy schemes.

• Journal of Advanced Marine Engineering and Technology
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• 제27권4호
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• pp.535-541
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• 2003

This paper describes numerical analysis of the impulse turbine with fixed guide vanes, a high performance hi-directional air turbine having simple structure for wane energy conversion. A 3-dimensional incompressible viscous flow numerical analysis based on the full Reynolds-averaged Wavier-Stokes equations was made to investigate the internal flow behavior Numerical results ate compared with experimental data. As a result, a suitable choice for the one of design factors has been clarified.

• 한국수자원학회:학술대회논문집
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• 한국수자원학회 2005년도 학술발표회(2)
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• pp.1033-1034
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• 2005