• Journal of the Korean Magnetics Society
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• v.17 no.3
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• pp.109-113
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• 2007

We investigated the magnetic properties of VRu(001) surface by using the all electron full-potenial linearized augmented planewave (FLAPW) energy band method within the GGA. We consider two different configurations, V and Ru surface layers, respectively. The V atoms in surface layer was calculated to have large magnetic moment of $1.71_{{\mu}_B}$ while the Ru surface layer to have nearly nonmagnetic state. The calculated spin-polarized density of states. spin density contour, and charge density were discussed in relation to the magnetic properties of VRu(001) surface.

• Nuclear Engineering and Technology
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• v.17 no.4
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• pp.256-266
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• 1985

The loss of coolant flow accident is analyzed for the pressurized water reactor of Korea Nuclear Unit-1. The loss of coolant flow accident is classified into three types in accordance with its severity; partial loss of coolant flow, complete loss of coolant flow and pump locked rotor accident. Analysis has been carried out in three stages; system transient and average core analysis, DNBR calculation and hot spot analysis. The purpose of developing KTRAN is to simulate the transient fast. For the DNBR calculation, the thermal hydraulic codes, SCAN and COBRA IV-1, are adopted. And for the hot spot analysis, the fuel thermal transient code LTRAN is employed. This code system should be fast responding to the transient analysis. In case the transient occurs, severity comes within a couple of seconds. So response should be fast to accomodate the following sequence of the accident. Unfortunately this purpose could not be achieved by KTRAN. However, the calculated results are well comparable with FSAR results in range. Thereby, the effectiveness of KTRAN code analysis in this type of accident is proven.

• Korean Journal of Optics and Photonics
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• v.6 no.1
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• pp.39-44
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• 1995

3차원 .delta.-potential을 가진 원자 모델을 이용하여 Nd:YAG(1064nm), Ti:sapphire(806nm), 색소(616nm), XeCl(308nm) 레이저를 기본파로 하고, 1차 이온화된 K/sup +/, Na/sup +/, Li/sup +/ 등의 알칼리 금속 이온을 비선형 매질로 할 때 고차고조파 분포를 수치적으로 해석하였다. 계산 결과 고차고조파 발생에서 특징적으로 나타나는 plateau는 비선형 매질의 이온화 에너지가 클수록, 기본파의 파장이 길수록 높은 차수에서 폭넓게 나타나고, 그 강도는 감소한다.

• Proceeding of EDISON Challenge
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• 2013.04a
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• pp.250-251
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• 2013

탄화규소(SiC)는 물리적 성질이 뛰어나 여러 전자기기에 다양한 활용 가능성이 제시되고 있다. 이 논문에서는 2D 구조의 탄화규소 벌집 구조에 대하여 전자 구조 계산을 수행하고 탄소와 규소의 2D 구조체와 전자구조적 차이점을 논의했다. 단원자 2D 구조와는 달리 탄화규소의 합성 구조는 반도체의 성질을 띄는 것으로 나타났고, 이는 두 원자 간의 전기음성도 차이로 인한 전자의 국소화 현상 때문인 것으로 분석되었다.

• Journal of the Korean Society for Nondestructive Testing
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• v.20 no.5
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• pp.390-396
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• 2000

The dynamic elastic constants of the simulated weld HAZ (heat-affected zone) of SA 508 Class 3 reactor pressure vessel (RPV) steel were investigated by resonant ultrasound spectroscopy (RUS). The resonance frequencies of rectangular parallelepiped samples woe calculated from the initial estimates of elastic stiffness $c_{11},\;c_{12}\;and\;c_{44}$ with an assumption of isotropic property, dimension and density. Through the comparison of calculated resonant frequencies with the measured resonant frequencies by RUS, very accurate elastic constants of SA 508 Class 3 steel were determined by iteration and convergence processes. Clear differences of Youngs modulus and shear modulus were shown from samples with different thermal cycles and microstructures. Youngs modulus and shear modulus of samples with fine-grained bainite were higher than those with coarse-grained tempered martensite. This tendency was confirmed from other results such as micro-hardness test.

• Journal of the Korean Magnetics Society
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• v.26 no.2
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• pp.39-44
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• 2016

Determination of the structural, electronic, and magnetic properties of the magnetically doped bismuth-telluride alloys are drawing lots of interest in the fields of the thermoelectric application as well as the research on magnetic interaction and topological insulator. In this study, we performed the first-principles electronic structure calculations within the density functional theory for the Gd doped bismuth-tellurides in order to study its magnetic properties and magnetic phase stability. All-electron FLAPW (full-potential linearized augmented plane-wave) method is employed and the exchange correlation potentials of electrons are treated within the generalized gradient approximation. In order to describe the localized f-electrons of Gd properly, the Hubbard +U term and the spin-orbit coupling of the valence electrons are included in the second variational way. The results show that while the Gd bulk prefers a ferromagnetic phase, the total energy differences between the ferromagnetic and the antiferromagnetic phases of the Gd doped bismuth-telluride alloys are about ~1meV/Gd, indicating that the stable magnetic phase may be changed sensitively depending on the structural change such as defects or strains.

• Journal of Energy Engineering
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• v.17 no.4
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• pp.218-226
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• 2008

A component-scale two-phase analysis code has been developed for a realistic simulation of two-phase flow transients in a light water nuclear reactor component. In the code, a two-fluid three-field model is adopted and the governing equations are solved on an unstructured mesh. For the numerical solution scheme, the semi-implicit method used in the RELAP5 code was selected, which has been proved to be very stable and accurate for most of practical applications. However, some modifications were needed for its application to an unstructured non-staggered grid. This paper presents the modified semi-implicit numerical method for unstructured grid and the preliminary results of the calculations.

• Korean Journal of Materials Research
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• v.4 no.6
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• pp.644-650
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• 1994

The submicron powders of high-purity silicon have been produced by Electrohydrodynamic Atomization. Field-emission scanning transmission electron microscopy(STEM) is used to determine the microstructure and solidification phase. .Then it is found that the droplets less than 60nm diameter are solidified as the amorphous phase. A useful and accessible characterization of atomic arrangements in amorphous solids can be given in terms of a radial distribution function. According to experimental determinations of the radial distribution function for amorphous silicon, its similarity to the crystalline structure at small radial distances indicates that the basic tetrahedral arrangement found in the diamond cubic structure of silicon must be maintained in the amorphous structure.

• Journal of the Korean Chemical Society
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• v.36 no.5
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• pp.627-631
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• 1992

A simple one dimensional model was proposed to describe a hydrogen bonding in crystals, which was based on the Lippincott's empirical potential. The model was used to calculate internal stretching vibrational frequencies of $NH_4I$ crystal at high pressures. The calculated results were in agreement with Raman experimental results qualitatively. At relatively lower high pressures, as pressure increases internal stretching vibrational frequencies shift lower due to increase of the hydrogen bonding effect. At higher pressures, the frequencies shift higher due to the repulsive contribution of interatomic potential induced by the reduction of interatomic distance as pressure increases.

• Proceedings of the Korean Society For Composite Materials Conference
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• 2005.11a
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• pp.133-136
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• 2005

원자현미경을 이용하여 나노허니컴 구조물의 굽힘 탄성계수를 측정하였다. 나노허니컴 구조물의 단면적은 기공들의 배열 때문에 위치마다 다르게 되고, 이로 인해 관성 영역 모멘트는 상수값으로 계산되지 않는다. 본 연구에서는 나노허니컴 구조물의 단위 면적 내 관성 영역 모멘트 평값을 벌크 구조의 나노허니컴 구조물의 영률로 가정하였다. 단위 면적 내 광성 영역 모멘트 평균값과 나노허니컴 구조물의 기공률 사이에 관계식이 유도되었다. 기공의 직경이 31 nm 인 양극 산화 알루미늄 필름이 나노허니컴 구조물로 제작되었다. 양극 산화 알루미늄의 영률이원자현미경을 이용한 굽힘 실험으로 측정되었으며, 나노 인장시험기의 인장 실험 결과와 비교되었다.