• 제목/요약/키워드: Vacuum calculation

검색결과 158건 처리시간 0.032초

Comparison of Adsorption Configurations between Phenylalanine and Tyrosine on Ge(100)

  • 임희선;양세나;이한길
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2011년도 제41회 하계 정기 학술대회 초록집
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    • pp.216-216
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    • 2011
  • We will investigate the bonding configurations of phenylalanine and tyrosine adsorbed on the Ge(100) surface using CLPES and DFT calculations. First, the C 1s, N 1s, and O 1s spectra obtained at 300 K revealed that both the amine and carboxyl groups of phenylalanine and tyrosine concurrently participated in adsorption on the Ge(100) surface without bond breaking using CLPES, depending on the extent of coverage. In the second place, we confirmed that the "O-H dissociated-N dative bonded structure" is the most stable structure implying kinetically favorable structure, and the "O-H dissociation bonded structure" is another stable structure manifesting thermodynamically advantageous structure using DFT calculations. This tendency turns up both phenylalanine and tyrosine, similarly. Furthermore, through the CLPES data and DFT calculation data, we discovered that the "O-H dissociated-N dative bonded structure" and the "O-H dissociation bonded structure" are preferred at 0.30 ML and 0.60 ML, respectively. Moreover, we found that the phenyl ring of phenylalanine is located in axial position to Ge(100) surface, but the phenyl ring of tyrosine is located in parallel to Ge(100) surface using DFT calculations.

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Structural properties of vacancy defects, dislocations, and edges in graphene

  • Lee, Gun-Do;Yoon, Eui-Joon;Hwang, Nong-Moon;Kim, Young-Kuk;Ihm, Ji-Soon;Wang, Cai-Zhuang;Ho, Kai-Ming
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2011년도 제40회 동계학술대회 초록집
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    • pp.428-429
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    • 2011
  • Recently, we performed ab initio total energy calculation and tight-binding molecular dynamics (TBMD) simulation to study structures and the reconstruction of native defects in graphene. In the previous study, we predicted by TBMD simulation that a double vacancy in graphene is reconstructed into a 555-777 composed of triple pentagons and triple heptagons [1]. The structural change from pentagon-octagon-pentagon (5-8-5) to 555-777 has been confirmed by recent experiments [2,3] and the detail of the reconstruction process is carefully studied by ab initio calculation. Pentagon-heptagon (5-7) pairs are also found to play an important role in the reconstruction of vacancy in graphene and single wall carbon nanotube [4]. In the TBMD simulation of graphene nanoribbon (GNR), we found the evaporation of carbon atoms from both the zigzag and armchair edges is preceded by the formation of heptagon rings, which serve as a gateway for carbon atoms to escape. In the simulation for a GNR armchair-zigzag-armchair junction, carbon atoms are evaporated row-by-row from the outermost row of the zigzag edge [5], which is in excellent agreement with recent experiments [2, 6]. We also present the recent results on the formation and development of dislocation in graphene. It is found that the coalescence of 5-7 pairs with vacancy defects develops dislocation in graphene and induces the separation of two 5-7 pairs. Our TBMD simulations also show that adatoms are ejected and evaporated from graphene surface due to large strain around 5-7 pairs. It is observed that an adatom wanders on the graphene surface and helps non-hexagonal rings change into stable hexagonal rings before its evaporation.

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창호를 통한 열전달 현상에 관한 연구 (A Study on the Heat Transfer Phenomenon through the Glazing System)

  • 강은율;오명원;김병선
    • 한국태양에너지학회:학술대회논문집
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    • 한국태양에너지학회 2009년도 추계학술발표대회 논문집
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    • pp.32-37
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    • 2009
  • An energy loss through the window system occupies about 10 to 30 percent on energy consumption of the whole building. That is the reason, several elements for a building composition of window system are the weakest from the heat. Insulation performance increases for the reducing heat loss. Heat transfer through the window system that is reducing heat transfer through conduction, convection and radiation. Insulation performance reinforcement methods classify improving heat specific quality of window system and improving efficiency of whole window system. The most application method among each methods is reducing emission ratio of the window system(Low-E glass), increasing a number of glazing(multiple window) and a method of vacuuming between glazing and glazing. Therefore this study is investigated a sort of glazing and specific character, U-value calculation with changing glazing thickness and calculation of temperature distribution and U-value with a glazing charging gas kind from double glazing. For a conclusion, an aspect of U-value figure at the smallest value case of vacuum glazing with Low-E coating. That means insulation efficiency is the best advantage during a building plan selecting vacuum glazing with Low-E coating for a energy saving aspect. In this way, U-value become different the number of glazing, coating whether or not and selecting injection gas. Therefore selecting of glazing is very important after due consideration by a characteristic and use of building and consideration of strong point and weak point.

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해수 증발과정에서의 기체방출량 계산 (Calculation of non-condensable gases released in a seawater evaporating process)

  • 정광운;정한식;정효민;최순호
    • Journal of Advanced Marine Engineering and Technology
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    • 제41권3호
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    • pp.182-190
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    • 2017
  • 모든 액체는 소량의 기체성분들이 녹아있으며, 액체에 용해되는 기체의 양은 액체에 작용하는 주위압력에 기여하는 각 기체성분의 분압에 비례한다는 헨리의 법칙을 따른다. 따라서 다단증발식 해수담수화설비의 경우, 각 증발단의 운전온도와 압력은 다르며, 이 운전조건에 비례하여 해수에 용해되어 있던 기체들이 증발과정에서 방출되는데 주성분은 불응축기체인 이산화탄소, 질소, 산소 및 아르곤이다. 대류열전달의 입장에서는 불응축기체는 증발증기를 응축시키는 냉각기의 성능을 저하시키는 주요한 원인이기 때문에 증발과정에서 방출되는 불응축기체의 평가는 증발식 해수담수화설비에서 중요한 설계인자 중의 한가지이다. 증발식 해수담수화공정의 경우, 대부분의 증발기는 진공압력으로 유지되기 때문에 진공유지장치의 설계를 위해서는 증발과정에서 해수로부터 방출되는 불응축기체의 방출량을 평가하는 것이 매우 중요다. 본 연구는 불응축기체의 방출량을 정량적으로 계산하기 위해 수행하였으며, 연구결과에 따르면 불응축가스의 방출량은 후단으로 갈수록 감소하며, 담수생산량에 비례함을 알 수 있었다.

Synthetic Strategy and Optical Property Characterization of Complex Nanorods: Plasmon Wave Guide and Solar Cell

  • Park, Sung-Ho
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2012년도 제43회 하계 정기 학술대회 초록집
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    • pp.111-111
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    • 2012
  • In this talk, we represent a novel approach to investigating intra-nanorod surface plasmon coupling with control over block compositions. The multi-component rod-like nanostructures, which consist of optically active components (Au and Ag) and optically less active component (for example, Ni) in UV-vis-NIR spectral window, showed interesting optical response depending on each block length and the total length of the structure. By controlling the composition and relative lengths of the blocks that comprise these structures, we can tailor the overall optical properties. Depending on the relative fraction of Au and Ag blocks, the intensity of the transverse modes varied without noticeable peak shifts. However, the strong intraparticle surface plasmon coupling resulted in the collective appearance of longitudinal LSP modes, including higher-order modes. The experimental observations were confirmed by theoretical calculation, using a discrete dipole approximation method. In addition, we will briefly discuss how single nanorod solar cells can be synthesized by using by using electrochemical deposition and AAO hard templates.

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InAs/GaAs 양자점의 단전자-정공 재결합 연구 (Studies on single electron-hole recombination in InAs/GaAs Quantum dots)

  • 이주인;임재영;서정철
    • 한국진공학회지
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    • 제10권2호
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    • pp.257-261
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    • 2001
  • InGaAs/GaAs 초격자 구조들 사이에 InAs/GaAs 양자점을 MBE로 성장하고 광특성을 측정한 결과 매우 균일한 양자점을 얻을 수 있었다. Self-consistent한 이론 계산으로부터 얻은 p-i-n 구조의 최적 조건으로 단일광자구조를 성장하고 단일광자소자를 e-beam lithography를 이용하여 제작하였다. 전기적 특성인 I-V곡선에서 나타난 전기 이력현상으로부터 단일 전자와 단일 정공이 다른 전압에서 투과하여 단일 전자-정공 재결합 현상이 나타나고 있음을 확인하였다.

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평면형 유도결합 플라즈마 장치에서의 RF 전력 전달 특성 계산 (Characteristics calculation on radio frequency power transfer in a planar inductively coupled plasma source)

  • 이정순;정태훈
    • 한국진공학회지
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    • 제8권3B호
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    • pp.368-375
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    • 1999
  • The Maxwell equation and the transformer equivalent-circuit model are applied to a radio frequency planar inductively coupled plasma. The spatial distribution of the vector potential, the magnetic field, and the electric field are obtained analytically. As a result, the plasma current, the mutual inductance between the coil and the plasma, and the self inductance of plasma are found to increase with increasing skin depth. The spatial distribution of absorbed power has maximum where the antenna coil exists, and has a similar profile to that of the induced electric field. The power transfer efficiency is found to increase with increasing gas pressure before a saturation around p+ 20mTorr, while it shows an increase with the plasma density before a slight decrease around a density of $5\times10^{11}/\textrm{cm}^3$.

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표면전도 전자방출 표시장치의 전자방출 구조해석 (Analysis of electron emission mechanism in surface conduction electron emission displays)

  • 김영삼;김영권;오현주;조대근;길도현;김대일;강준길;강승언;최은하
    • 한국진공학회지
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    • 제8권4A호
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    • pp.410-416
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    • 1999
  • It is confirmed that the cause of anode current in SEDs (surface conduction electron emission displays) is the inertial force of electron emitted from the cathode surface in the calculation of electron trajectory. In the fissure of sub-micron, most of electrons emitted from the area of the cathode edge flow into the coplanar anode, while some electrons are emitted into the display surface by the current ratio of $10^{-3}$. The later electrons are forced to fly into the display surface by the centrifugal force due to the curved electric field between top side surfaces near the fissure.

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Electrooptic Response of Reflective Liquid Crystal Cell

  • Lee, Geon-Joon;C. H. Oh;Lee, Y. P.;T. K. Lim
    • 한국진공학회지
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    • 제12권S1호
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    • pp.33-35
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    • 2003
  • The electrooptic properties of the reflected light in a reflective mode, $45^{\circ}C$twisted nematic liquid crystal (TNLC) cell were investigated in the voltage regions near and away from the Freedericksz transition threshold. The measured reflectivity away from the threshold voltage ($V_th$) could not be described by the model which assurnes a constant tilt angle as well as a linearized distribution of twist angle across the cell, although the data are well fitted near $V_th$. We found that in the voltage region away from $V_th$, the model considering the distributions of the tilt angle and the twist angle should be applied for the calculation of the reflectivity. The director-axis distributions were obtained from the numerical integration of the Euler-Lagrange equation.

Thermal Analysis of Spacecraft Propulsion System and its Validation

  • Han, Cho-Young;Park, Joon-Min
    • Journal of Mechanical Science and Technology
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    • 제18권5호
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    • pp.847-856
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    • 2004
  • Heaters for the spacecraft propulsion system are sized to prevent propellant from catastrophic freezing. For this purpose, thermal mathematical model (TMM) of the propulsion system is developed. Calculation output is compared with the results obtained from thermal vacuum test in order to check the validity of TMM. Despite a little discrepancy between the two types of results, both of them are qualitatively compatible. It is concluded that the propulsion system heaters are correctly sized and TMM can be used as a thermal design tool for the spacecraft propulsion system.