• Title/Summary/Keyword: First-principle calculation

Search Result 74, Processing Time 0.026 seconds

Calculation of Electronic State of MnO2 Oxide Electode Having Ni Additive (Ni이 첨가된 $MnO_2$ 산화물전극의 전자상태 계산)

  • Lee, Dong-Yoon;Kim, Bong-Seo;Song, Jae-Sung
    • Proceedings of the KIEE Conference
    • /
    • 2002.07c
    • /
    • pp.1515-1517
    • /
    • 2002
  • $MnO_2$ is used for the oxide electrode of electrochemical equipments because of its good electric conductivity and low oxygen overpotential. The effect of additives on the properties of $MnO_2$ has been investigated to enhance the electric conductivity and the stability in an acid solution. In this research, the effect of Ni addition on ${\beta}-MnO_2$ was studied by the theoretical quantum chemical method. The calculation was carried out by the discrete variation $X{\alpha}$ method, which is a sort of the first principle method and use Hatre-Fock-Slater approximation. The electron energy level, the density of state, the bond overlap population, the charge density distribution and the net ionic transfer between cations and anions were calculated and discussed. The used cluster model was $(Mn_{10}NiO_{44})^{-44}$.

  • PDF

Calculation on Electronic State and Chemical Bonding of $\beta$-$MnO_2$ by DV-X$\alpha$ Method (분자궤도계산법에 의한 $\beta$-$MnO_2$의 전자상태 및 화학결합 계산)

  • 이동윤;김봉서;송재성;김현식
    • Korean Journal of Crystallography
    • /
    • v.14 no.1
    • /
    • pp.16-23
    • /
    • 2003
  • The electronic structure and chemical bonding of β-MnO₂ were theoretically investigated by DV-X/sub α/ (the discrete variation X/sub α/) method. which is a sort of the first principle molecular orbital method using Hatre-Fock-Slater approximation. The calculations on several cluster models having different sizes were carried out for the determination of a model suited for analyzing bulk state. The Mn/sub 15/O/sub 56/ model was selected as a sufficiently suitable model for the calculation of electronic state and chemical bonding by the comparison of the calculated XPS (X-ray photo-electron spectrum) and experimentally measured XPS. By using this model, the electron energy level, the density of state, the bond overlap population, the charge density distribution, and the net ionic transfer between cations and anions were calculated and discussed.

Compressed Sensing Techniques for Video Transmission of Multi-Copter (멀티콥터 영상 전송을 위한 압축 센싱 기법)

  • Jung, Kuk Hyun;Lee, Sun Yui;Lee, Sang Hwa;Kim, Jin Young
    • Journal of Satellite, Information and Communications
    • /
    • v.9 no.2
    • /
    • pp.63-68
    • /
    • 2014
  • This paper proposed a novel compressed sensing (CS) technique for an efficient video transmission of multi-copter. The proposed scheme is focused on reduction of the amount of data based on CS technology. First, we describe basic principle of Spectrum sensing. And then we compare AMP(Approximate Message Passing) with CoSaMP(Compressive Sampling Matched Pursuit) through mathematical analysis and simulation results. They are evaluated in terms of calculation time and complexity, then the promising algorithm is suggestd for multicopter operation. The result of experiment in this paper shows that AMP algorithm is more efficient than CoSaMP algorithm when it comes to calculation time and image error probability.

Exploring the Principle of Computation between Two-Digit Number and One-Digit Number: A Case Study of Using Cuisenaire Rods and Array Models ((두 자리 수)×(한 자리 수)의 계산 원리 탐구 - 퀴즈네어 막대와 배열 모델을 활용한 수업 사례 연구 -)

  • Kim, JeongWon;Pang, JeongSuk
    • Journal of Educational Research in Mathematics
    • /
    • v.27 no.2
    • /
    • pp.249-267
    • /
    • 2017
  • The unit of multiplication in the mathematics textbook for third graders deals with two-digit number multiplied by one-digit number. Students tend to perform multiplication without necessarily understanding the principle behind the calculation. Against this background, we designed the unit in a way for students to explore the principle of multiplication with cuisenaire rods and array models. The results of this study showed that most students were able to represent the process of multiplication with both cuisenaire rods and array models and to connect such a process with multiplicative expressions. More importantly, the associative property of multiplication and the distributive property of multiplication over addition were meaningfully used in the process of writing expressions. To be sure, some students at first had difficulties in representing the process of multiplication but overcame such difficulties through the whole-class discussion. This study is expected to suggest implications for how to teach multiplication on the basis of the properties of the operation with appropriate instructional tools.

A Study on Lighting Design Education (조명디자인 교육연구)

  • 안희영
    • Korean Institute of Interior Design Journal
    • /
    • no.17
    • /
    • pp.128-135
    • /
    • 1998
  • The first issue was concerning the subject to provide students with an understanding of the principle of light its concept mental factors etc and with the observation and analysis of the light of an object and its form which is the process for designers to be able to deal with the deeper design concept by complementing the setting of necessary concept. The second issue was concerning the process of basic learning about basic electricity and lighting that lighting designers or interior decoration and architecture designer should have such as the introduction of light in kind of light source lighting system and so forth. The third issue was focused on practical affairs such as design and expression techniques the calculation of illumination using the computer simulation and so on. In addition such issues as the history of lighting photograph and its linkage with the field of engineering about new material ware addressed.

  • PDF

Incompatible Three-Dimensional Hexagonal Finite Elements by Multivariable Method (다변수 변분해법에 의한 비적합 8절점 육면체 요소)

  • Ju, Sang-Baek;Sin, Hyo-Chol
    • Transactions of the Korean Society of Mechanical Engineers A
    • /
    • v.20 no.7
    • /
    • pp.2078-2086
    • /
    • 1996
  • This paper introduces two three-dimensional eight-node hexagonal elements obtained by using multivariable variational mehtod. Both of them are based on the modified hellinger-reissner principle to employ incompatible displacements and assumed stresses of assumed strains. The internal functions of element are introduced to as element formulation through two different methods : the first one uses the functions determined directly from the element boundary condition of the incompatible displacements ; while the second, being a kind of B-bar mehtod, employs the modification technique of strain-displacement matrix to pass the patch test. The elements are evaluated on the selective problems of bending and material incompressibility with regular and distorted meshes. The results show that the new elements perform with good accuracy in both of deformation and stress calculation and they are insensitive to distorted geometry of element.

Efficient Generation of Computer-generated Hologram Patterns Using Spatially Redundant Data on a 3D Object and the Novel Look-up Table Method

  • Kim, Seung-Cheol;Kim, Eun-Soo
    • Journal of Information Display
    • /
    • v.10 no.1
    • /
    • pp.6-15
    • /
    • 2009
  • In this paper, a new approach is proposed for the efficient generation of computer-generated holograms (CGHs) using the spatially redundant data on a 3D object and the novel look-up table (N-LUT) method. First, the pre-calculated N-point principle fringe patterns (PFPs) were calculated using the 1-point PFP of the N-LUT. Second, spatially redundant data on a 3D object were extracted and re-grouped into the N-point redundancy map using the run-length encoding (RLE) method. Then CGH patterns were generated using the spatial redundancy map and the N-LUT method. Finally, the generated hologram patterns were reconstructed. In this approach, the object points that were involved in the calculation of the CGH patterns were dramatically reduced, due to which the computational speed was increased. Some experiments with a test 3D object were carried out and the results were compared with those of conventional methods.

The Concept of a Gravity Engine and Energy Performance for Tidal and Hydro-Power

  • Lee, Jae-Young
    • Journal of Energy Engineering
    • /
    • v.9 no.1
    • /
    • pp.47-53
    • /
    • 2000
  • This paper is to propose the concept and performance of a gravity engine which could extract energy from sea or river as a clean. renewable and sustainable power. the vertical motion of the buoyancy cylinder of the present gravity engine is converted to the mechanical work directly without any hydraulic loss. The positive net energy between the imposed and harnessed one is achieved by the specific operating procedure. The detailed derivation of the energy balance is made based on the first principle of thermodynamics. The calculation demonstrates that the present gravity engine could harness more energy than the conventional turbine system in the same basin area because of the relatively high efficiency in the energy conversion system and added mass from the buoyancy cylinder.

  • PDF

Calculation of Pressure Rise in a Thermal-expansion Type Arc Chamber (열팽창 분사식 가스차단부의 소호실내 압력상승 계산)

  • Choi, Y.K.;Oh, Y.H.;Shin, Y.J.;Park, K.Y.;Kim, H.J.;Choulkov, V.V.
    • Proceedings of the KIEE Conference
    • /
    • 1998.07a
    • /
    • pp.167-169
    • /
    • 1998
  • Recently $SF_6$ gas circuit breakers utilizing the thermal-expansion principle are increasingly used in distribution power system. Active researches and developments have been conducted to reduce the size and weight, and to improve the interrupting performance of the circuit breakers. It was first developed a programme which could show the hot gas flowing into the thermal-expansion arc chamber. This programme, using so-called FLIC method basically, adopted 'Simplified Enthalpy Arc Model' which was somewhat modified to estimate the arc quenching process. The computation by it was compared with the measured results of the pressure rise in the chamber, and both showed fairly good agreement.

  • PDF

Determination of Member Force Ratios for Self-equilibrium State of Multi-Layered Cable Dome Type Structures (다층 케이블 돔형 구조물의 자기평형을 위한 부재력 비율 결정)

  • Kim, Jae-Yeol
    • Journal of Korean Association for Spatial Structures
    • /
    • v.13 no.2
    • /
    • pp.75-82
    • /
    • 2013
  • For each cable component in a cable dome structure, pre-tension is needed for stability of whole the structure. The summation of these pre-tension at each joint should be zero to achieve the self equilibrium structure. The first step in cable dome structure analysis is to find the ratio of pre-tension in each member which can produce a stable and structure on self-equilibrium. In this paper, a new method based on the basic principle of closed force polygon for equilibrium system is proposed for the determination of self-equilibrium mode of cable dome structure. A single layer cable dome and two multi layer type domes have been analyzed. The ratios of cable members are determined by the presented method, and check the validation of the results by numerical calculation.