• Title/Summary/Keyword: homogeneous

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ONIOM and Its Applications to Material Chemistry and Catalyses

  • Morokuma, Keiji
    • Bulletin of the Korean Chemical Society
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    • v.24 no.6
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    • pp.797-801
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    • 2003
  • One of the largest challenges for quantum chemistry today is to obtain accurate results for large complex molecular systems, and a variety of approaches have been proposed recently toward this goal. We have developed the ONIOM method, an onion skin-like multi-level method, combining different levels of quantum chemical methods as well as molecular mechanics method. We have been applying the method to many different large systems, including thermochemistry, homogeneous catalysis, stereoselectivity in organic synthesis, solution chemistry, fullerenes and nanochemistry, and biomolecular systems. The method has recently been combined with the polarizable continuum model (ONIOM-PCM), and was also extended for molecular dynamics simulation of solution (ONIOM-XS). In the present article the recent progress in various applications of ONIOM and other electronic structure methods to problems of homogeneous catalyses and nanochemistry is reviewed. Topics include 1. bond energies in large molecular systems, 2. organometallic reactions and homogeneous catalysis, 3. structure, reactivity and bond energies of large organic molecules including fullerenes and nanotubes, and 4. biomolecular structure and enzymatic reaction mechanisms.

A Study on the Regionalization of Point Rainfall by Statistical Methods (통계적 방법에 의한 지점강우의 권역화 연구)

  • Lee, Jung-Sik;Shin, Chang-Dong;Kim, Young-Wook
    • 한국방재학회:학술대회논문집
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    • 2007.02a
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    • pp.575-578
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    • 2007
  • The objective of this study is to analyze the regionalization of point rainfall by statistical methods for regional frequency analysis of the rainfall. The rainfall data used in this study are annual maximum rainfall at 57 stations during the period of more than 30 years for 12 durations(10min, 1, 2, 3, 4, 5, 6, 8, 10, 12, 18, 24hr) in Korea. The Mann-Whitney U test, Kruskal-Wallis one-way analysis of variance of nonparametric test the principal component and the cluster analysis have been performed to analyze the regionalization of rainfall. The results of this study are as follows; (1) The region which hydrological homogeneous is accepted does not exist for whole duration in Korea. (2) The result of nonpametric test shows that hydrological homogeneous regions of point rainfall are divided by 5 regions. (3) In case of cluster analysis hydrological homogeneous regions of point rainfall are divided by 6 regions and 4 other areas.

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A Stochastic Model of Muscle Fatigue in Cyclic Heavy Exertions$\cdots$Formulation

  • Lee, Myun-W.;Pollock, Stephen M.;Chaffin, Don B.
    • Journal of Korean Institute of Industrial Engineers
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    • v.5 no.2
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    • pp.21-36
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    • 1979
  • Static muscle contractions when prolonged or frequently repeated result in discomfort, fatigue, and musculosketal injuries. An analytic and quantitative model has been developed in order to expand the working knowledge on muscle fatigue. In this paper, three Markov models of muscle fatigue are developed. These models are based on motor unit fatigue-recovery characteristics obtained from information on motor unit behavior as it relates to fatigue and graded exertions. Three successively more realistic models are developed that involve: (1) homogeneous motor units with intensity-dependent fatigue rates and state-independent recovery rates (the HMSI model); (2) homogeneous motor units, intensity-dependent fatigue rates and state-dependent recovery rates (the HMSD model); and (3) non-homogeneous motor units (i.e., Type S and Type F), intensity-dependent fatigue rates and state-dependent recovery rates (the HMSD model). The result indicate that a simple stochastic model provide a means to analyze the complex nature of muscle fatigue in sequential static exertions.

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Basic Performance Characteristics of HCCI (Homogeneous Charge Compression Ignition) Engine

  • Choi Gyeung Ho;Chung Yon Jong;Kim Ji Moon;Dibbler Robert W.;Han Sung Bin
    • Journal of Energy Engineering
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    • v.14 no.4 s.44
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    • pp.226-231
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    • 2005
  • Essentially combination of spark ignition and compression ignition engines, the HCCI engine exhibits low NOx and Particulate Matter (PM) emissions as well as high efficiency under part load. This paper is concerned with the Homogeneous Charge Compression Ignition (HCCI) engine as a new concept in engines and a power source for future automotive applications. In this research, a 4 cylinder diesel engine was converted into a HCCI engine, and propane was used as the fuel. The purpose of this research is to show the effects of fuel flow rate and the temperature of the intake manifold on the performance and exhaust of an HCCI engine.

Analysis of Combustion Characteristics for a Homogeneous Charge Compression Ignition Engine with Load Condition (예혼합 압축착화 디젤엔진의 부하변동에 따른 연소특성 분석)

  • 장시웅;이기형;이창식
    • Transactions of the Korean Society of Automotive Engineers
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    • v.10 no.1
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    • pp.17-23
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    • 2002
  • In order to reduce exhaust emissions from diesel engine under wide operating range, an experimental study based on a new concept of combustion called HCDC(Homogeneous Charge Diesel Combustion) was conducted. In this concept, most of the fuel is supplied as premixed homogeneous charge and the rest is directly injected into a cylinder to ignite. In this study we compared combustion characteristics of an HCDC engine with those of conventional diesel engines. At high premixed fuel ratio and high load range, it was observed that premixed combustion heat release rate was low and diffusion combustion duration was shorten. from this experiment, it was found that NOx is reduced by the lower maximum temperature and soot is reduced by rapid combustion during diffusion combustion phase.

The Study on the Fuel Vapor Distribution of Homogeneous Charge in a DISI Engine with a 6-Hole Fuel Injector (6공 연료분사기를 장착한 DISI 엔진 내 균질급기의 연료증기 분포 특성)

  • Kim, S.S.
    • Journal of Power System Engineering
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    • v.15 no.1
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    • pp.5-10
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    • 2011
  • The spatial fuel vapor distribution of the homogeneous charge by a 6-hole injector was examined in a optically accessed single cylinder direct injection spark ignition(DISI) engine. The effects of in-cylinder charge motion, and fuel injection pressure, and coolant temperature were investigated using a planar LIF (Laser Induced Fluorescence) technique. It was confirmed that the in-cylinder tumble flow played a little more effective role in the spatial fuel vapor distribution than the swirl flow during the compression stroke at 10 mm and 2 mm planes under cylinder head gasket and the increased fuel injection pressure activated spatial distributions of the fuel vapor. In additions, richer mixtures were concentrated around the cylinder wall by the increase of the coolant temperature.

SENSITIVITY OF SHEAR LOCALIZATION ON PRE-LOCALIZATION DEFORMATION MODE

  • Kim, Kwon--Hee-
    • Proceedings of the Korean Society for Technology of Plasticity Conference
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    • 1992.03a
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    • pp.83-102
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    • 1992
  • As shear localization is observed in different deformation modes, an attempt is made to understand the conditions for shear localization in general deformation modes. Most emphasis in put upon the effects of pre-localization deformation mode on the onset of shear localization and all the other well-recognized effects of subtle constitutive features and imperfection sensitivity studied elsewhere are not investigated here. Rather, an approximate perturbation stability analysis is performed for simplified isotropic rigid-plastic solids subjected to general mode of homogeneous deformation. Shear localization is possible in any deformation mode if the material has strain softening. The incipient rate of shear localization and shear plane orientations are strongly dependent upon the pre-localization deformation mode. Significant strain softening is necessary for shear localization in homogeneous axisymmetric deformation modes while infinitesimal strain softening is necessary for shear localization in plane strain deformation mode. In any deformation mode, there are more than one shear plane orientation. Except for homogeneous axisymmetric deformation modes, there are two possible shear plane orientations with respect to the principal directions of stretching. Some well-known examples are discussed in the light of the current analysis.

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Three Dimensional Finite Element Analysis of Particle Reinforced Metal Matirx Composites Considering the Thermal Residual Stress and the Non-uniform Distribution of Reinforcements (금속복합재료의 열잔류 응력과 강화재의 불규칙 분산 상태를 고려한 3차원 유한 요소 해석)

  • 강충길;오진건
    • Journal of the Korean Society for Precision Engineering
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    • v.17 no.6
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    • pp.199-209
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    • 2000
  • Particles reinforced MMCs have higher specific modulus, higher specific strength, better properties at elevated temperatures and better wear resistance than monolithic metals. But the coefficient of thermal expansion(CTE) of Al6061 is 5 times larger than that of SiCp. The discrepancy of CTE makes some residual stresses inside of MMCs. This work investigates Si$C_p$/Al6061 composites at high temperatures in the microscopic view by three-dimensional elasto-plastic finite element analyses and compares the analytical results with the experimental ones. The theoretical model is not able to consider the nonuniform shape of particle. So the shape of particle is assumed to be perfect global shape. And also particle distribution is not homogeneous in experimental specimen. It is assumed to be homogeneous in simulation model. The type of particle distribution is face-centered cubic array(FCC array). Furthermore, non-homogeneous distribution is modeled by combination of several volume fractions.

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Generalized Kinematics Modeling of Wheeled Mobile Robots (바퀴형 이동로봇의 기구학)

  • Shin, Dong-Hun;Park, Kyung-Hoon
    • Journal of the Korean Society for Precision Engineering
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    • v.19 no.5
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    • pp.118-125
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    • 2002
  • The previous kinematic analysis of wheeled mobile robots(WMRs) is performed in an ad-hoc manner, while those of the robot manipulators are done in a consistent way using the coordinate system assignment and the homogeneous transformation matrix. This paper shows why the method for the robot manipulators cannot be used directly to the WMRs and proposes the method for the WMRs, which contains modeling the wheel with the Sheth-Uicker notation and the homogeneous transformation. The proposed method enable us to model the velocity kinematics of the WMRs in a consistent way. As an implementation of the proposed method, the Jacobian matrices were obtained for conventional steered wheel and non-steered wheel respectively and the forward and inverse velocity kinematic solutions were calculated fur a tricycle typed WMR. We hope that our proposed method comes to hold an equivalent roles for WMRs, as that of the manipulators does for the robot manipulators.

ON DIFFERENTIAL INVARIANTS OF HYPERPLANE SYSTEMS ON NONDEGENERATE EQUIVARIANT EMBEDDINGS OF HOMOGENEOUS SPACES

  • HONG, JAEHYUN
    • Communications of the Korean Mathematical Society
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    • v.30 no.3
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    • pp.253-267
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    • 2015
  • Given a complex submanifoldM of the projective space $\mathbb{P}$(T), the hyperplane system R on M characterizes the projective embedding of M into $\mathbb{P}$(T) in the following sense: for any two nondegenerate complex submanifolds $M{\subset}\mathbb{P}$(T) and $M^{\prime}{\subset}\mathbb{P}$(T'), there is a projective linear transformation that sends an open subset of M onto an open subset of M' if and only if (M,R) is locally equivalent to (M', R'). Se-ashi developed a theory for the differential invariants of these types of systems of linear differential equations. In particular, the theory applies to systems of linear differential equations that have symbols equivalent to the hyperplane systems on nondegenerate equivariant embeddings of compact Hermitian symmetric spaces. In this paper, we extend this result to hyperplane systems on nondegenerate equivariant embeddings of homogeneous spaces of the first kind.