• 제목/요약/키워드: Potential energy surface

검색결과 791건 처리시간 0.025초

집중유도형 교류전위차법에 의한 표면결함 및 이면결함의 평가에 관한 연구 (Evaluation of Surface Crack and Blind Crack by Induced Current Focusing Potential Drop(ICFPD) Technique)

  • 김훈
    • 비파괴검사학회지
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    • 제16권2호
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    • pp.86-94
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    • 1996
  • 파괴역학을 기초로 한 구조물의 수명 관리와 안전성 평가에 있어서, 결함의 크기는 매우 중요한 변수인자이다. 집중유도형 교류전위차법(ICFPD)은 구조물 부재의 표면, 이면 및 내면에 존재하는 결함을 검출하고, 그 크기를 측정하기 위하여 개발하였다. 본 비파괴법의 원리는 교류 전류가 흐르는 하나의 도선에 의하여 국부적인 영역에 전류를 집중적으로 유도하는 것을 이용하였다. 도선에 흐르는 전류는 일정 크기와 주파수를 갖는다. 금속표면에 유도된 전위는 탐촉자에 설치된 전위측정용 단자(potential pick-up pins)로 측정한다. 본 논문은 집중유도형 교류전위차법을 이용하여 평판 시험편에 도입한 표면결함과 이면결함을 평가하였다. 표면결함의 경우, 전위차 분포는 결함의 경사도에 따라 변화하고, 결함부와 결함단부의 전위차는 결함의 경사도 및 깊이에 따라 변화한다. 이면결함의 경우, 전위차 분포는 표면결함의 전위차 분포와 구분이 되며, 결함부에서의 전위차는 결함의 깊이에 따라 변화한다.

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Pblyaniline의 전해중합특성 및 전기화학적 특성 (Characteristics of Electropolymerization and Electrochemical Properties of Polyaniline)

  • Moon, Seong-In;Yun, Mun-Soo
    • 대한전기학회논문지
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    • 제40권9호
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    • pp.883-892
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    • 1991
  • This paper presnets the characteristics of electropolymerization and electrochemicla propoerties of polyaniline(PAn). From the morphology study on the PAn surface, it seems that coagulation of the fibrils on the surface proceeds as the PAn grows, resulting in fibril clusters with new branches and more extensive voids. While PAn/Li cell is cycled at potential range between 2.9V and 3.7V in which the first strong reduction peak of 2.75V does not appear, its oxidation reduction capacities were increased up to about tenth cycle. Electricity efficiency of stable charge-discharge to deep discharge in PAn/Li cell was 42.9%. Average charge potential, avergae discharge potential, energy density, and charge-discharge energy efficiency of the PAn/Li cell were 3.4V, 3.25V, 132.9Wh/kg, and 95.6%, respectively.

활성탄을 이용한 원소요오드 및 유기요오드 흡착특성 (Adsorption Characteristics of Elemental Iodine and Methyl Iodide on Base and TEDA Impregnated Carbon)

  • Lee, Hoo-Kun;Park, Geun-Il
    • Nuclear Engineering and Technology
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    • 제28권1호
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    • pp.44-55
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    • 1996
  • 원자력 발전소에서 방사성 요오드를 제거하기 위해 사용되는 원료활성탄과 2%, 5%TEDA(Triethylene-Diamine) 첨착활성탄을 이용하여 원소요오드와 유기요오드인 메틸요오드에 대한 흡착특성을 분석하였다. 여러 흡착 등온식을 선정하여 실험치와 비교함으로서 선정된 흡착 등온식의 적합성 여부를 검증하였다. 흡착평형 실험결과 Dubinin-Astakhov(DA) 등온식이 여러 가지 흡착등온식 가운데 가장 적합한 것으로 나타났다. 흡착표면의 흡착에너지 분포가 불균일(Heterogeneous)하기 때문에 포텐셜 (Potential) 에너지를 근거로 하는 DA등온식이 흡착평형 관계를 보다 정확하게 나타내는 것으로 생각된다. 흡착표면의 불균일성을 확인하기 위해 흡착에너지 분포도를 원료활성탄과 첨착활성탄에 대해 상호 비교하였다 활성탄-요오드 흡착시스템에서 불균일성은 활성탄의 기공구조 분만 아니라 흡착질과 활성탄과의 상호관계에 의해서도 영향을 받게된다 따라서 흡착표면의 불균일성은 활성탄을 첨착함에 따라서 증가하게 되고 원소요오드보다 유기요오드의 경우 불균일성이 더 커지는 것으로 보여진다.

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이온유체방정식을 이용한 Plasma Sheath 시변 해석 (Analysis of Time-Dependent Behavior of Plasma Sheath using Ion Fluid Model)

  • 이호준;이해준
    • 전기학회논문지
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    • 제56권12호
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    • pp.2173-2178
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    • 2007
  • Dynamics of plasma sheath was analyzed using simple ion fluid model with poison equation. Incident ion current, energy, potential distribution and space charge density profile were calculated as a function of time. The effects of initial floating sheath on the evolution of biased sheath were compared with ideal matrix sheath. The effects of finite rising time of pulse bias voltage on the ion current and energy was studied. The influence of surface charging on the evolution of sheath was also investigated

The Potential Energy Surface of BH5 and the Rate of the Hydrogen Scrambling

  • Kim, Kyung-Hyun;Kim, Yong-Ho
    • Bulletin of the Korean Chemical Society
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    • 제24권6호
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    • pp.763-770
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    • 2003
  • The $BH_5$ molecule, which is suggested as an intermediate of the acidolysis of $BH_4^-$, contains a weak two-electron-three-center bond and it requires extremely high-level of theories to calculate the energy and structure correctly. The structures and energies of $BH_5$ and the transition state for the hydrogen scrambling have been studied using recently developed multi-coefficient correlated quantum mechanical methods (MCCMs). The dissociation energies and the barrier heights agree very well with the previous results at the CCSD(T)/ TZ(3d1f1g, 2p1d) level. We have also calculated the potential energy curves for the dissociation of $BH_5$ to $BH_3$ and $H_2$. The lower levels of theory were unable to plot correct potential curves, whereas the MCCM methods give very good potential energy curves and requires much less computing resources than the CCSD(T)/ TZ(3d1f1g,2p1d) level. The potential energy of the $BH_5$ scrambling has been obtained by the multiconfiguration molecular mechanics algorithm (MCMM), and the rates are calculated using the variational transition state theory including multidimensional tunneling approximation. The rate constant at 300 K is 2.1 × $10^9s^{-1}$, and tunneling is very important.

Recent Advances in Passive Radiative Cooling: Material Design Approaches

  • Heegyeom Jeon;Youngjae Yoo
    • Elastomers and Composites
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    • 제59권1호
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    • pp.22-33
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    • 2024
  • Passive radiative cooling is a promising technology for cooling objects without energy input. Passive radiative cooling works by radiating heat from the surface, which then passes through the atmosphere and into space. Achieving efficient passive radiative cooling is mainly accomplished by using materials with high emissivity in the atmospheric window (8-13 ㎛). Research has shown that polymers tend to exhibit high emissivity in this spectral range. In addition to elastomers, other materials with potential for passive radiative cooling include metal oxides, carbon-based materials, and polymers. The structure of a passive radiative cooling device can affect its cooling performance. For example, a device with a large surface area will have a greater amount of surface area exposed to the sky, which increases the amount of thermal radiation emitted. Passive radiative cooling has a wide range of potential applications, including building cooling, electronics cooling, healthcare, and transportation. Current research has focused on improving the efficiency of passive radiative cooling materials and devices. With further development, passive radiative cooling can significantly affect a wide range of sectors.

표면효과를 고려한 나노 사이즈 구조물의 local QC 열탄성 해석 (Thermomechanical Local QC Analysis of Nanoscale Structure Considering Surface Effect)

  • 유수영;이승윤;조맹효
    • 한국전산구조공학회:학술대회논문집
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    • 한국전산구조공학회 2007년도 정기 학술대회 논문집
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    • pp.415-420
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    • 2007
  • In analyzing the nano-scale behavior of nano devices or materials, QC method is efficient because it does not treat all the atoms. But for more accurate analysis in QC method, it is important to consider temperature and surface effects. In finite temperature, free energy is considered instead of potential energy. Because the surface area to volume ratio increases as the length scale of a body decreases, the surface effects are more dominant. In this paper, temperature related Cauchy-Born rule and surface Cauchy-Born rule are proposed to configurate the strain energy density. This method is applied to small and homogeneous deformation in two dimensional problem using finite element simulation.

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Effects of the Counter Ion Valency on the Colloidal Interaction between Two Cylindrical Particles

  • Lee, In-Ho;Dong, Hyun-Bae;Choi, Ju-Young;Lee, Sang-Yup
    • Bulletin of the Korean Chemical Society
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    • 제30권3호
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    • pp.567-572
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    • 2009
  • In this study, the effects of counter ion valency of the electrolyte on the colloidal repulsion between two parallel cylindrical particles were investigated. Electrostatic interactions of the cylindrical particles were calculated with the variation of counter ion valency. To calculate the electrical repulsive energy working between these two cylindrical particles, Derjaguin approximation was applied. The electrostatic potential profiles were obtained numerically by solving nonlinear Poission-Boltzmann (P-B) equation and calculating middle point potential and repulsive energy working between interacting surfaces. The electrical potential and repulsive energy were influenced by counter ion valency, Debye length, and surface potential. The potential profile and middle point potential decayed with the counter ion valency due to the promoted shielding of electrical charge. On the while, the repulsive energy increased with the counter ion valency at a short separation distance. These behaviors of electrostatic interaction agreed with previous results on planar or spherical surfaces.

Electrochemical and surface investigations of copper corrosion in dilute oxychloride solution

  • Gha-Young Kim ;Junhyuk Jang;Jeong-Hyun Woo;Seok Yoon;Jin-Seop Kim
    • Nuclear Engineering and Technology
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    • 제55권8호
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    • pp.2742-2746
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    • 2023
  • The corrosion behavior of copper immersed in dilute oxychloride solution (100 mM) was studied through surface investigation and in-situ monitoring of open-circuit potential. The copper corrosion was initiated with copper dissolution into a form of CuCl-2, resulting in mass decrease within the first 40 h of immersion. This was followed by a hydrolysis reaction initiated by the CuCl-2 at the copper surface, after which oxide products were formed and deposited on the surface, resulting in a mass increase. The formation of nucleation sites for copper oxide and its lateral extension during the corrosion process were examined using focused ion beam (FIB)-scanning electron microscopy (SEM). The presence of metastable compounds such as atacamite (CuCl2·3Cu(OH)2) on the corroded copper surface was revealed by X-ray photoelectron spectra (XPS) and transmission electron microscopy (TEM)-energy dispersive spectrometry (EDS) analysis.

Electrostatic Properties of N-Acetyl-Cysteine-Coated Gold Surfaces Interacting with ZrO2 Surfaces

  • Park, Jin-Won
    • Bulletin of the Korean Chemical Society
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    • 제33권9호
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    • pp.2855-2860
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    • 2012
  • The coating N-acetyl cysteine (NAC) on gold surfaces may be used to design the distribution of either gold particle adsorbed to the $ZrO_2$ surface or vice versa by adjusting the electrostatic interactions. In this study, it was performed to find out electrostatic properties of the NAC-coated-gold surface and the $ZrO_2$ surface. The surface forces between the surfaces were measured as a function of the salt concentration and pH value using the AFM. By applying the Derjaguin-Landau-Verwey-Overbeek (DLVO) theory to the surface forces, the surface potential and charge density of the surfaces were quantitatively acquired for each salt concentration and each pH value. The dependence of the potential and charge density on the concentration was explained with the law of mass action, and the pH dependence was with the ionizable groups on the surface.