• Title/Summary/Keyword: Energy barrier model

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FE Analysis of Hybrid Stepping Motor (HSM)

  • Jang Ki-Bong;Lee Ju
    • KIEE International Transaction on Electrical Machinery and Energy Conversion Systems
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    • v.5B no.1
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    • pp.39-42
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    • 2005
  • Though full 3D analysis is the proper method to analyze the hybrid stepping motor (HSM), it has weak points in the areas of computation time and complexity. This paper introduces 2D FEA using a virtual magnetic barrier for the axial cross section to save computation time. For the purpose of 2D FEA, the virtual magnetic barrier and equivalent permanent magnet model of HSM are proposed. This result is compared with that of experimental and 3D analysis, considered as a reference result.

Analysis of Intramolecular Electron Transfer in A Mixed-Valence Cu(Ⅰ)-Cu(Ⅱ) Complex Using the PKS Model

  • So Hyunsoo
    • Bulletin of the Korean Chemical Society
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    • v.13 no.4
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    • pp.385-388
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    • 1992
  • The transition probabilities for the thermal intramolecular electron transfer and the optical intervalence transfer band for a symmetric mixed-valence Cu(I)-Cu(II) compound were used to extract the PKS parameters $\varepsilon$ = -1.15, ${\lambda}$ = 2.839, and ${\nu}g$- = 923 $cm^{-1}$. These parameters determine the potential energy surfaces and vibronic energy levels. Three pairs of vibrational levels are below the top of the energy barrier in the lower potential surface. The contribution of each vibrational state to the intramolecular electron transfer was calculated. It is shown that the three pairs of vibrational states below the top of the barrier are responsible for most of the electron transfer at 261-306 K. So the intramolecular electron transfer in this system is a tunneling process. The transition probability exhibits the usual high-temperature Arrhenius behavior, but at lower temperature falls off to a temperature-independent value as tunneling from the lowest levels becomes the limiting process.

The Determination of Interconversion Barrers of Oxygen-Containing Cyclohexene Analogues

  • Ju, Jae Beom;Lee, Su No;Lee, Guk Haeng
    • Bulletin of the Korean Chemical Society
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    • v.17 no.1
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    • pp.7-11
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    • 1996
  • The interconversion barriers between two twisted conformers of four oxygen-containing cyclohexene analogues have been investigated utilizing a periodic hindered pseudorotational model, molecular mechanics (MM3) calculations, and previously reported far-infrared spectra. The six-fold pseudorotational potential energy function satisfactorily fits the observed bending transitions. The interconversion barrier heights calculated from the pseudorotational model show excellent agreement with those determined from two-dimensional potential energy surfaces for the ring-bending and ring-twisting vibrations. The barriers to interconversion range from 3350 $cm^{-1}$ (9.6 kcal/mol) to 3890 $cm^{-1}$ (11.1 kcal/mol) for four oxygen-containing cyclohexene analogues.

Current Status of the Numerical Models for the Analysis of Coupled Thermal-Hydrological-Mechanical Behavior of the Engineered Barrier System in a High-level Waste Repository (고준위폐기물처분장 공학적방벽시스템의 열-수리-역학적 복합거동 해석 모델 개발 현황)

  • Cho, Won-Jin;Kim, Jin Seop;Lee, Changsoo;Choi, Heui-Joo
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.10 no.4
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    • pp.281-294
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    • 2012
  • The current status of the computer codes for the analysis of coupled thermal-hydrological-mechanical behavior occurred in a high-level waste repository was investigated. Based on the reported results on the comparison between the predictions using the computer codes and the experimental data from the in-situ tests, the reliability of the existing computer codes was analyzed. The presented codes simulated considerably well the coupled thermal-hydrological-mechanical behavior in the near-field rock of the repository without buffer, but the predictions for the engineered barrier system of the repository located at saturated hard rock were not satisfactory. To apply the current thermal-hydrological-mechanical models to the assessment of the performance of engineered barrier system, a major improvement on the mathematical models which analyze the distribution of water content and total pressure in the buffer is required.

A Nuclide Transfer Model for Barriers of the Seabed Repository Using Response Function (응답함수를 이용한 해저처분장의 방벽에 대한 핵종전달 모델)

  • Lee, Youn-Myoung;Kang, Chul-Hyung;Hahn, Pil-Soo
    • Nuclear Engineering and Technology
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    • v.28 no.2
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    • pp.175-184
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    • 1996
  • A nuclide transfer by utilizing mass transfer coefficient and barrier response function defined for each barrier is proposed, by which the final nuclide transfer rate into the sea water can be evaluated. When simple and immediate quantification of the nuclide release is necessary in the conservative aspect, using this kind of approach may be advantageous since each layered barrier can be treated separately from other media in series in the repository system, making it possible to apply separate solutions in succession to other various media. Although one disadvantage is that while flux continuity can be maintained at the interface by using the exit nuclide flux from the first medium as the source flux for the next one, there may be no guarantee for concentration continuity, this problem could be eliminated assuming that there is no boundary resistance to mass transfer across the interface. Mass transfer coefficient can be determined by the assumption that the nuclide concentration gradient at the interface between adjacent barriers remains constant and barrier response function is obtained from an analytical expression for nuclide flow rate out of each barrier in response to a unit impulse into the barrier multiplied by mass transfer coefficient. Total time-dependent nuclide transfer rate from the barrier can then be obtained by convoluting the response function for the barrier with a previously calculated set of time-varying input of nuclide flow rate for the previous barrier.

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Study of Oxygen Barrier Properties of Silk Fibroin Composite Membrane Using Molecular Dynamics Simulation (분자동역학 전산모사를 활용한 실크 피브로인 복합막의 산소 차단성 연구)

  • Young Jin Seo;Na Yeong Kwon;Chi Hoon Park
    • Membrane Journal
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    • v.33 no.6
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    • pp.447-453
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    • 2023
  • The performance of computer systems and the development of various computer simulation programs have made it possible to analyze chemical systems composed of more complex elements, and accordingly, research using molecular dynamics simulation is being actively conducted. Research on calculating the gas permeation characteristics of polymer membranes by molecular dynamics, which was previously conducted mainly through experiments, is receiving attention for gas barrier membranes used in food packaging and pharmaceuticals. Recently, there has been a report that a gas barrier effect appears when a coating film is made using silk fibroin, and in this study, a study was conducted using molecular dynamics simulation to confirm whether an oxygen barrier effect appears when a composite film is made using silk fibroin. We built a single model, calculated the gas permeation characteristics, and compared it with the experimental value to confirm that the model reflects the actual experimental results. Actual composite membrane models were then built and the gas movement path within the polymer was analyzed. As a result, oxygen molecules were found that they could not pass through and was blocked in the fibroin region. Therefore, the composite membrane with silk fibroin has excellent oxygen barrier property and is expected to be useful in food packaging, etc.

Study on Side Impact Test Procedure of Hydrogen Bus (수소버스 측면충돌 시험방법 연구)

  • Kim, Kyungjin;Shin, Jaeho;Han, Kyeonghee;In, Jeong Min;Shim, Sojung;Kim, Siwoo
    • Journal of Auto-vehicle Safety Association
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    • v.13 no.4
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    • pp.92-98
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    • 2021
  • Recently hydrogen fuel cell buses have been deployed for the public transportations. In order to introduce buses fueled by hydrogen successfully, the research results of hydrogen bus safety should be discussed and investigated significantly. Especially, Korean government drives research in terms of various applications of hydrogen energy to replace the conventional fuel energy resources and to improve the safety evaluation. Thus it is necessary to examine vehicle crashworthiness under side impact loadings. This study was focused on the simulation result evaluation of full bus model and simplified bus model with hydrogen fuel tank module and mounting system located below floor structure due to the significance of bus side impact accidents. The finite element models of hydrogen bus, fuel tank system and side impact moving barrier were set up and simulation results reported model performance and result comparison of two side impact models. Computational results and research discussion showed the conceptual side impact framework to evaluate hydrogen bus crashworthiness.

Impedance Analysis and Surge Characteristics of PV Array

  • Lee K.O.;So J.H.;Jung M.W;Yu G.J.;Choi J. Y.;Ah H.S.
    • Proceedings of the KIPE Conference
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    • 2003.07a
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    • pp.235-238
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    • 2003
  • Photovoltaic(PV) array, which is generally installed outside, has the possibility to be damaged by high voltage due to lightning. Because the surge characteristics of PV array have not b eon fully Identified yet, there is a very important issue whether PV array should be connected with ground or not. In this paper, a basic model of PV array is provided considering the PV cell's barrier capacitance and ground capacitance for analysis of surge characteristics.

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Vibration-Rotation Coupling in a Quasilinear Symmetric Triatomic Molecule

  • Lee, Jae-Shin
    • Bulletin of the Korean Chemical Society
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    • v.15 no.3
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    • pp.228-236
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    • 1994
  • The effect of the vibration mode coupling induced by the vibration-rotation interaction on total energy was investigated for the states with zero total angular momentum(J=0) in a quasilinear symmetric triatomic molecule of $AB_2$ type using a model potential function with a slight potential barrier to linearity. It is found that the coupling energy becomes larger for the levels of bend and asymmetric stretch modes and smaller for symmetric stretch mode as the excitation of the vibrational modes occurs. The results for the real molecule of $CH_2^+$, which is quasilinear, generally agree with the results for the model potential function in that common mode selective dependence of coupling energy is exhibited in both cases. The differences between the results for the model and real potential function in H-C-H system are analyzed and explained in terms of heavy mixing of the symmetric stretch and bend mode in excited vibrational states of the real molecule of $CH_2^+$. It is shown that the vibrational mode coupling in the potential energy function is primarily responsible for the broken nodal structure and chaotic behavior in highly excited levels of $CH_2^+$ for J= 0.

Growth features and nucleation mechanism of Ga1-x-yInxAlyN material system on GaN substrate

  • Simonyan, Arpine K.;Gambaryan, Karen M.;Aroutiounian, Vladimir M.
    • Advances in nano research
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    • v.5 no.4
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    • pp.303-311
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    • 2017
  • The continuum elasticity model is applied to investigate quantitatively the growth features and nucleation mechanism of quantum dots, nanopits, and joint QDs-nanopits structures in GaInAlN quasyternary systems. We have shown that for GaInAlN material system at the critical strain of ${\varepsilon}^*=0.039$ the sign of critical energy and volume is changed. We assume that at ${\varepsilon}={\varepsilon}^*$ the mechanism of the nucleation is changed from the growth of quantum dots to the nucleation of nanopits. Obviously, at small misfit (${\varepsilon}$ < ${\varepsilon}^*$), the bulk nucleation mechanism dominates. However, at ${\varepsilon}$ > ${\varepsilon}^*$, when the energy barrier becomes negative as well as a larger misfit provides a low-barrier path for the formation of dislocations, the nucleation of pits becomes energetically preferable. The free energy of mixing for $Ga_{1-x-y}In_xAl_yN$ quasiternary system was calculated and studied and its 3D sketch was plotted.