• 설비공학논문집
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• 제19권12호
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• pp.883-888
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• 2007

As a starting point of investigating what molecular dynamic simulations can reveal about the nature of atomic level of heating and cooling process, argon described by the LJ potential is considered. Stepwise heating and cooling of constant rates are simulated in the NPT (constant number, pressure and temperature) ensemble. Hysteresis is found due to the superheating and supercooling. Drastic change of volume and energy is involved with phase change, but the melting point can not be obtained by simply observing the changes of these quantities. Since liquid and solid phases can co-exist at the same temperature, Gibbs free energy should be calculated to find the temperature where the Gibbs free energy of liquid is equal to that of the solid since the equilibrium state is the state of minimum Gibbs free energy. The obtained melting temperature, $T^*=0.685$, is close to that of the experiment with only 2% error.

• Bulletin of the Korean Chemical Society
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• 제31권12호
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• pp.3718-3722
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• 2010

Theoretical investigations are carried out on the title reaction by means of ab-initio and DFT methods. The optimized geometries, frequencies and minimum energy path are obtained at UB3LYP/6-311G(d,p) level. Single point energy calculations are performed at MP2 and MP4 levels of theory. Energetics are further refined by calculating the energy of the species with a modified Gaussian-2 method, G2M(CC,MP2). The rate constant of the reaction is calculated using Canonical Transition State Theory (CTST) utilizing the ab-initio data obtained during the present study and is found to be $5.47{\times}10^{-12}\;cm^3\;molecule^{-1}s^{-1}$ at 298 K and 1 atm.

• Structural Engineering and Mechanics
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• 제45권2호
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• pp.183-199
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• 2013

Current methods of analysis of trusses depend on matrix formulations based on equilibrium equations which are in fact derived from energy principles, and compatibility conditions. Recently it has been shown that the minimum energy principle, by itself, in its pure and unmodified form, can well be exploited to analyze structures when coupled with an optimization algorithm, specifically with a meta-heuristic algorithm. The resulting technique that can be called Total Potential Optimization using Meta-heuristic Algorithms (TPO/MA) has already been applied to analyses of linear and nonlinear plane trusses successfully as coupled with simulated annealing and local search algorithms. In this study the technique is applied to both 2-dimensional and 3-dimensional trusses emphasizing robustness, reliability and accuracy. The trials have shown that the technique is robust in two senses: all runs result in answers, and all answers are acceptable as to the reliability and accuracy within the prescribed limits. It has also been shown that Harmony Search presents itself as an appropriate algorithm for the purpose.

• 정보과학회지
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• 제1권1호
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• pp.72-74
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• 1983

Traditionally, polynomials have been used to approximte functions with prescribed values at a number of points(called the knots) on a given interal on the real line. The method of splines recently developed is more flexible. It approximates a function in a piece-wise fashion, by means of a different polynomial in each subinterval. The cubic spline gas ets origins in beam theory. It possessed continuous first and second deriatives at the knots and is characterised by a minimum curvature property which es rdlated to the physical feature of minimum potential energy of the supported beam. Translated into mathematical terms, this means that between successive knots the approximation yields a third-order polynomial sith its first derivatives continuous at the knots. The minimum curvature property holds good for each subinterval as well as for the whole region of approximation This means that the integral of the square of the second derivative over the entire interval, and also over each subinterval, es to be minimized. Thus, the task of determining the spline lffers itself as a textbook problem in discrete computer programming, since the integral of ghe square of the second derivative can be obviously recognized as the criterion function whicg gas to be minimized. Starting with the initial value of the function and assuming an initial solpe of the curve, the minimum norm property of the curvature makes sequential decision of the slope at successive knots (points) feasible. It is the aim of this paper to derive the cubic spline by the methods of computer programming and show that the results which is computed the all the alues in each subinterval of the spline approximations.

• Korean Chemical Engineering Research
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• 제51권2호
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• pp.233-239
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• 2013

Poly(isobutylene), polystyrene 및 poly(methyl methacrylate)로 코팅된 quartz crystal microbalance(QCM) 시스템을 구성하여, 매우 낮은 압력에서 benzene, toluene, p-xylene의 흡착량을 측정하였다. 모든 흡착실험에서 QCM 시스템의 공진 주파수 변화는 압력의 증가에 비례하였다. 실험결과로부터 각각의 고분자 필름에 대한 흡착물질의 Henry 상수를 구하였으며 고분자 필름과 흡착물질 사이의 최소 흡착 포텐셜 에너지와 비교하였다. 전체적으로 흡착량과 최소 흡착 포텐셜 에너지는 명백한 상관관계가 있었다.

• 전기학회논문지
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• 제63권9호
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• pp.1199-1205
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• 2014

A power system configuration has been increasingly advanced with a number of generating units. In particular, renewable energy resources are widely introduced due to the environmental issues. When applying the renewable energy sources with the ESS (Energy Storage System), the ESS is the role of a potential generating resource in the power system while mitigating the output volatility of renewable energy resources. Thus, for applications of the ESS, the surrounding environment of it should be considered, which means that capacity and energy of the ESS can be affected. Moreover, operation strategy of the ESS should be proposed according to the installation purpose as well as the surrounding environment. In the paper, operation strategy of the ESS is proposed considering load demand and the output of renewable energy resources on a hourly basis. Then, the cost of electrical energy is minimized based on the economic model that consists of capital cost, operation cost, fuel cost, and grid cost for a year. It is sure that peak-shaving effects can be achieved while satisfying the minimum cost of electrical energy.

• Bulletin of the Korean Chemical Society
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• 제25권2호
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• pp.260-262
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• 2004

In agreement with the results of previous MP2 calculations by Sauers, B3LYP, CASSCF, and CASPT2 calculations on the parent 2-carbena-1,3-dioxolane show that it fragments to ethylene plus $CO_2$ by a concerted pathway with only a small energy barrier. Not only is fragmentation via stepwise C-O bond cleavage computed to be a much higher energy pathway, but the singlet diradical that would be an intermediate along such a reaction path is not even computed to be a local minimum on the potential energy surface.

• 한국농공학회지
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• 제24권2호
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• pp.76-88
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• 1982

The stream morphological characteristics of a basin have important influence upon the analysis of runoff. In this study, the laws of stream morphology-the law of average stream fall and the law of least rate of potential energy expenditure-which were derived based on the analogy of entropy in thermodynamics are introduced and their validity is analysised with the data taken from the topographic maps covering the whole Geum River system. The first law is the Law of Average Stream Fall which states that under the dynamic equilibrium condition the ratio of average fall between any two different order stream in the same river basin in unity. The second law is the law of least rate of energy expenditure which states that all natural streams are intended to choose their own course of flow such that the rate of potential energy loss per unit mass of water this course is a minimum. The parameters representing the morphological characteristics of 13 tributaries in the Geum River system such as stream bifurcation ratio and stream concavity were Computed from the Horton-Strahler's laws and are used to check the law of average stream fall. The result showed that the law of average stream fall agrees reasonably well with law of Horton-Strahler. Concavity of a river basin is shown to be the determinative factor to the formation of a stream system. Concavity of a river basin is shown to be the determinative factor to the formation of a stream system. Based on Horton's Law and the law of average stream fall, longitudinal stream profiles can be calculated.

• 한국태양에너지학회 논문집
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• 제33권6호
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• pp.1-11
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• 2013

The investigation on wind farm design using CFD technique was carried out to reduce turbulence intensity in a wind farm. A potential wind farm in Gasiri of Jeju Island was selected for the design and the commercial S/W of Meteodyn WT was used for applying CFD technique. The initial layout of wind turbines was derived using WindPRO which is mainly used for wind farm design in Korea. Then, the distribution of turbulence intensity on complex terrain was calculated and visible by Meteodyn WT. Based on the distribution, wind turbines were positioned properly. As a result, wind turbines could be deployed at positions with minimum turbulence intensity as well as maximum Annual Energy Production, AEP, using Meteodyn WT. It is necessary to take into account turbulence intensity in wind farm design to avoid wind turbine failure.

• 한국통신학회논문지
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• 제27권3A호
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• pp.268-275
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• 2002

본 논문에서는 프레임차 에너지의 전위차를 이용한 비용으로 비디오 객체를 추출하는 영역 기반 분할 알고리즘을 제안한다. 첫 번째 단계에서는 파티션의 영역 내에 비디오 객체의 윤곽이 포함되지 않도록 공간적인 밝기 값을 이용하여 동질한 영역들로 세밀하게 분할을 한다. 이렇게 세밀하게 분할된 파티션은 두 번째 단계인 시공간 분할의 초기 파티션이 된다. 시공간 분할에서는 각각의 인접한 영역들의 동질성 비용을 두 영역의 프레임차 에너지 중에서 작은 에너지를 가지는 영역의 프레임차 에너지와 두 영역에 의하여 만들어지는 윤곽상에 존재하는 프레임차 에너지로 계산한다. 다음에 동질성의 비용이 최소인 두 영역을 찾아서 병합하구 파티션을 새롭게 갱신한다. 이러한 반복적 병합은 프레임차 에너지의 전위차가 큰 윤곽들이 남을 때까지 수행한다. 마지막으로 후처리 단계에서는 객체 내부의 윤곽들을 제거하여 비디오 객체를 추출한다.