• New Physics: Sae Mulli
• /
• v.68 no.11
• /
• pp.1183-1191
• /
• 2018

The plasmon behaviors in a superlattice of $GaAs/Al_xGa_{1-x}As$ multiple quantum wells with a half-parabolic confining potential due to different dielectric interfaces are studied under magnetic and electric fields perpendicular and parallel to the superlattice axis by using a previously published theoretical framework. From the density-density correlation functions by considering the intrasubband and the inter-subband transitions under the random phase approximation, we calculate the dispersion energies of the surface and the bulk states as functions of the composition of the multiple quantum well structure and of the magnetic field strength and the average electric field strength over the quantum well. The Raman intensities for various magnetic field strengths and average electric field strengths over the quantum well are also obtained as a function of the energy of the incoming light for these states.

• Journal of the Mineralogical Society of Korea
• /
• v.31 no.1
• /
• pp.13-22
• /
• 2018

Aluminum silicates ($Al_2SiO_5$) undergo phase transitions among kyanite, andalusite, and sillimanite depending on temperature and pressure conditions. The minerals are often used as an important indicator of the degree of metamorphism for certain metamorphic rocks. In this study, we have applied classical molecular dynamics (MD) simulations and density functional theory (DFT) to the aluminum silicates. We examined the crystal structures as a function of applied pressure and the corresponding stabilities based on calculated enthalpies at each pressure. In terms of the lattice parameters, both methods showed that the volume decreases as the pressure increases as observed in the experiment. In particular, DFT results differed from experimental results by much less than 1%. As to the relative stability, however, both methods showed different levels of accuracy. In the MD simulations, a transition pressure at which the relative stability between two minerals reverse could not be determined because the enthalpies were insensitive to the applied pressure. On the other hand, in DFT calculations, the relative stability relation among the three minerals was consistent with experiment, although the transition pressure was strongly dependent on the choice of the electronic exchange-correlation functional.

• Transactions of the Korean Society of Mechanical Engineers
• /
• v.13 no.5
• /
• pp.1023-1031
• /
• 1989

An experimental study is conducted to investigate the turbulent wake flow around tubes in vertical single row tube banks. All measurements are performed at Reynolds number(Re$_{max}$) 4.2*10$_{3}$ - 2.5*10$_{4}$ with varying tube spacings from the wide pitch ratio(H/D=3.07) to the very narrow one(H/D=1.23). Flow patterns are visualized using the smoke-wire method. Mean static pressures, velocity components, and various statistical quantities of turbulence are obtained by the computer on-line technique. In the case of wide tube spacings, the near wakes of tube show similar trends to those of a single tube, and their flow indicats an anisotropic turbulence. However, as the pitch ratio decreases, wide and narrow wakes appear alternately behind adjacent tubes due to the deflected flow. Also, in the case of H/D .leq. 1.54, Karman vortex is not formed at the side of relatively wide wake.e.

• Journal of the Korean Magnetics Society
• /
• v.5 no.4
• /
• pp.324-334
• /
• 1995

앞의 논문에서 살펴 본바와 같이 밀도 범함수 이론에 바탕을 둔 제일 원리적 에너지 띠 계산 방법의 하나인 FLAPW(Full-potential Linearized Augmented Plane Wave) 방법 에 의해 표면, 계면, 초격자에서의 전자 구조및 자기적 성질, 그리고 구조적 성질이 잘 설명될수 있음을 보았다. 이러한 성공적 결과에도 불구하고 전자구조 계산 방법은 풀어야할 새로운 문제에 직면하고 있는데 그 중 중요한 것은 스핀-궤도 결합(spin-orbit coupling : SOC)을 어떻게 취급하며, 그 결과로 나타나는 자기 결정 이방성( magnetocrystallinge anisotropy : MCA)과 강자성 금속에서 나타나는 광자기적 효과를 설명하는 것이다.

• Journal of Korean Society of Environmental Engineers
• /
• v.38 no.5
• /
• pp.242-248
• /
• 2016

The overall reaction rate of fuel cell is governed by oxygen reduction reaction (ORR) in the cathode due to its slowest reaction compared to the oxidation of hydrogen in the anode. The ORR efficiency can be readily evaluated by examining the adsorption strength of atomic oxygen on the surface of catalysts (i.e., known as a descriptor) and the adsorption energy can be controlled by transforming the surface geometry of catalysts. In the current study, the effect of the surface geometry of catalysts (i.e., strain effect) on the adsorption strength of atomic oxygen on platinum catalysts was analyzed by using density functional theory (DFT). The optimized lattice constant of Pt ($3.977{\AA}$) was increased and decreased by 1% to apply tensile and compressive strain to the Pt surface. Then the oxygen adsorption strengths on the modified Pt surfaces were compared and the electron charge density of the O-adsorbed Pt surfaces was analyzed. As the interatomic distance increased, the oxygen adsorption strength became stronger and the d-band center of the Pt surface atoms was shifted toward the Fermi level, implying that anti-bonding orbitals were shifted to the conduction band from the valence band (i.e., the anti-bonding between O and Pt was less likely formed). Consequently, enhanced ORR efficiency may be expected if the surface Pt-Pt distance can be reduced by approximately 2~4% compared to the pure Pt owing to the moderately controlled oxygen binding strength for improved ORR.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2011.02a
• /
• pp.316-316
• /
• 2011

제일원리 계산으로 Fe/Pt (001) 표면의 표면상태도를 계산하고 표면상태도로 부터 얻어진 평형 Fe/Pt (001) 표면구조의 자기이방성에너지를 계산하였음. 계산된 표면상태도로 부터 Fe-rich $L1_2$ 구조와 수직 $L1_0$ 구조가 가장 안정한 표면 Fe/Pt (001) 구조임이 밝혀졌음. 제일원리로 계산 된 두 구조의 자기이방성에너지를 관측하여 두 구조의 자기용이축이 모두 [001] 방향으로 정렬 됨을 확인하였다. 자기이방성에너지가 격자 변화와 표면 형성 중 어떤 원인에 의해 발생하는지 판단하기 위해서 표면구조, 벌크구조, 및 표면구조와 동일한 격자상수를 가진 벌크구조를 비교 하였다. 비교 결과에 의해 자기이방성에너지의 주 원인은 표면 형성임이 밝혀졌으며 이를 좀 더 명확히 하기위해 상태밀도함수를 계산하였다. 상태밀도함수 계산 결과 Fe 원자의 $3d_{z2}$ 오비탈의 페르미 준위 아래에서의 상태가 표면이 형성되면서 증가하는 것을 관측하였으며 이는 [001] 방향으로의 자기이방성을 증가시키는 오비탈이므로 표면 형성에 따른 자기이방성에너지 증가는 Fe 원자의 $3d_{z2}$ 오비탈에 의함이 판명되었다.

• Korean Journal of Optics and Photonics
• /
• v.6 no.4
• /
• pp.302-309
• /
• 1995

We desinged a lattice-matched InGaAs/lnGaAsP quantum well laser that lases at $1.55{\mu}m$ at room temperature, and calculated the gain spectrum as a function of injected carrier density and temperature. For the calculation of band structures and momentum matrix elements, we used a transfer JIlatrix method based on a block-diagonalized 8x8 second-order Ii$.$ P Hamiltonian. This lattice-matched quantum well lases in transverse electric mode. As the temperature increases, the lasing wavelength gets longer, the transparency carrier density increases, and the differential gain is reduced. The temperature dependence of the gain spectrum comes from the temperature dependence of the band structure and that of the Fermi function, and the latter contributes dominantly.nantly.

• Proceedings of the Korea Society for Energy Engineering kosee Conference
• /
• 1998.05a
• /
• pp.221-228
• /
• 1998

2차원 노심핵설계 코드 HELIOS를 이용하여 $^{7}$ LiF-BeF$_2$-ThF$_4$-$^{233}$ UF$_4$ 용융염 핵연료와 흑연(Graphite) 감속재로 구성된 AMBIDEXTER(Advanced Molten-salt Break-even Inherently-safe Dual-mission EXperimental and TEst Reactor) 원자로의 육각주형 로심격자에 대해 핵적 자활성 요건의 설계해석을 수행하였다. AMBIDEXTER 원자로는 액체 핵연료의 유동성을 이용한 온라인 핵연료 정화ㆍ처리ㆍ재생의 연속공정을 도입하여 노내의 잔류 핵분열 생성물질의 포화양을 최소로 유지시키고 중성자 경제성을 극대화하므로 높은 전환율을 얻는 설계이다. 핵연료 내에 잔류하는 핵분열생성물질의 포화농도에 대응하는 연소도를 등가연소도로 정의할 때, 열출력 250MW$_{th}$ AMBIDEXTER 원자로의 등가연소도 374MWD/TeH.E.의 평형 로심 모델에 대해 핵적 자활성을 지배하는 주요 핵설계 인자로서 용융염 핵연료의 $^{233}$ U Mole 분율, 흑연-대-용융염의 체적비, 노심격자 간격 및 출력 밀도의 변화에 따른 임계도 및 전환율을 평가하였다. 그 결과, $^{233}$ U Mole 분율과 혹연-대-용융염 체적비를 좌표축으로 하는 2차원상공간에서 핵적 자활성 요건 상태함수는 각 노심격자간격에 대해 완만한 선형 함수로 표현할 수 있음을 확인하였다.

• Transactions of the Korean Society of Mechanical Engineers
• /
• v.5 no.2
• /
• pp.101-109
• /
• 1981

균일 인장하중하에 있는 고체 내부에 고립된 제 1형 탄소성 크랙의 반취성 파괴를 경사슬립밴드모델(inclined slip band model)로서 연속크랙전위(conticuum crack dislocation) 및 연속격자 전위(continum lattice dislocation)을 이용하여 이론적으로 연구하였다. 크랙전위 및 격자전위에 관한 힘평형을 나타애는 연립특이적분방정식의 해는크랙전위 및 격자전위에 관한 적정밀도함수를 가지고 특이함을 해소하는 조건을 부가하여 얻는다. 이특이항 해소조건의 타당성은 처음으로 소성영역의 크기를 그 판단기준으로 검토되었으며, 그결과 합당한 것으로 확인되었다. 또한 상기방법으로부터 산출된 COD는 소규모 성역을 넘어서도 선형적으로 .KAPPA.$^{2}$.EPSILON..sigma.$_{Y}$ 에 따라 변화함을 알게 된다. 상기모델에서 위축적분경로(Shrunk path) 상의 J 적분치를 J=.delta..sigma.$_{Y/}$sin2.theta.의 형태로 유도하였는데, 이것은 J 적분에 관한 Eshelby의 힘개념을 구체적으로 표현한다: J는 크랙전파방향으로 탄소성크랙정점에 작용하는 가상적인 힘이며, 1/2 J의 한 슬립편면상에서의 분력은 그 슬립정면사으이 보든 격자전위에 작용하는 전단력의 총화와 같다. 같다.

• Journal of the Institute of Electronics Engineers of Korea SD
• /
• v.38 no.9
• /
• pp.616-623
• /
• 2001

Effects of the grating period fluctuation on the wavelength distribution have been studied by an effective index transfer matrix method in quarter wavelength shifted (QWS) DFB lasers. The wavelength distribution is expressed by a probability density that is an analytical function of the correlation coefficient and normalized standard deviation of the grating period fluctuation. The probability density function of wavelength distribution is shown to be nearly Gaussian, and its standard deviation increases with normalized standard deviation of the grating period fluctuation, and decreases with the negative correlation between adjacent half-periods.