• Korean Journal of Materials Research
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• v.1 no.3
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• pp.139-144
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• 1991

The geometries and energies of $C_2-C_5$ clusters have been calculated using simple semiempirical potential energy functions. The results of the calculations show that the most stable structure of the $C_2-C_5$ clusters is linear and that not only the rhombic $C_4$ but also the Y-shaped $C_4$ hale similar energy to the linear $C_4$.

• Proceeding of Spring/Autumn Annual Conference of KHA
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• 2006.11a
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• pp.216-219
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• 2006

A change is performed in socially a lot of places by elevations about the quality of life. Most construction balls are created mainly to spaces for an individuality or a specific community, but a space for public convenience is the situation that will gain gradually. While these public space increases, there is a public toilet to an increasing trend too. Think about Cubic Puzzle that it is one total space, and put one function to each Module. The small-scale Cubic space achieves a lot of changes by any energies, and a small-scale space compounds through energies to affect mobile and expansion, and the changed Cubic space does diversification of suitable mobile toilet space configuration to a local need in order to look.

• Bulletin of the Korean Chemical Society
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• v.33 no.3
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• pp.803-808
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• 2012

We have implemented two-component spin-orbit relativistic effective core potential (SOREP) methods in an all-electron relativistic program DIRAC. This extends the capacity of the two-component SOREP method to many ground and excited state calculations in a single program. As the test cases, geometries and energies of the small halogen molecules were studied. Several two-component methods are compared by using spin-orbit and scalar relativistic effective core potentials. For the $I_2$ molecule, excitation energies of low-lying excited states agree well with those from corresponding all-electron methods. Efficiencies in SOREP calculations enhanced by using symmetries are also discussed briefly.

• 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.

• Transactions of the Korean Society of Automotive Engineers
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• v.8 no.4
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• pp.177-185
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• 2000

The deformation characteristics is one of the major factors to resume the crash configuration in collision accident reconstruction. Crash analysis are carried out using finite element method and body stiffness equations representing force-deformation relationship are derived, Two different crash conditions : 1) frontal barrier impact 2) frontal impact between cars are given for the derivation of the equations. The stiffness coefficient of equation by method 2) is larger than that by method. 1). Crash analysis between two vehicles is accomplished with three crash angles and three velocities for each angle condition. The deformations are measured for six selected points and deformation energies are calculated using the derived equations. Equation by method 2) results in better estimation of deformation energy than that by method 1) for all crush configurations. The estimated energies can be utilized as one of indices to identify the type of the collision accident result.

• Journal of the Korean Society of Industry Convergence
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• v.6 no.3
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• pp.201-205
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• 2003

The effects of adsorption and desorption of alkali-metals on Si(111) surface were investigated by using AES and RHEED-system. The adsorption system is a fundamental interest because of its unique electronic properties such as measurement of work function change, adatom-core level shift. It was found that the growth node of K on Si(111) surface was layer by layer growth and the saturation coverage was 2.0ML at room temperature. Superstructure changes on Si(111) surface according to the alkali-metal thickness and substrate temperatures were accurately defined. By applying the isothermal desorption method, the desorption energies of Li/Si(111) and K/Si(111) surfaces was measured. On Li/Si(111) and K/Si(111) surfaces, the desorption energies were 3.07 eV, 2.19 eV respectively.

• Transactions of the Korean Society for Noise and Vibration Engineering
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• v.24 no.8
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• pp.636-642
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• 2014

The sensor configuration of the magnetostrictive guided wave system can be described as a single continuous transducing element which makes it difficult to separate the individual modes from the reflected signal. In this work we develop the mode decomposition technique employing chirplet transform, which is able to separate the individual modes from dispersive and multimodal waveform measured with the magnetostrictive sensor, and to estimate the time-frequency centers and individual energies of the reflection, which would be used to locate and characterize defects. The reflection coefficients are calculated using the modal energies of the separated mode. Results from experimental results on a carbon steel pipe are presented, which show that the accurate and quantitative defect characterization could become enabled using the proposed technique.

• MALSORI
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• no.64
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• pp.77-88
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• 2007

Nowadays, mel-frequency cesptral coefficients (MFCCs) and Gaussian mixture models (GMMs) are used for the pathological voice detection. This paper suggests a method to improve the performance of the pathological/normal voice classification based on the MFCC-based GMM. We analyze the characteristics of the mel frequency-based filterbank energies using the fisher discriminant ratio (FDR). And the feature vectors through the linear discriminant analysis (LDA) transformation of the filterbank energies (FBE) and the MFCCs are implemented. An accuracy is measured by the GMM classifier. This paper shows that the FBE LDA-based GMM is a sufficiently distinct method for the pathological/normal voice classification, with a 96.6% classification performance rate. The proposed method shows better performance than the MFCC-based GMM with noticeable improvement of 54.05% in terms of error reduction.

• Journal of the Korean Institute of Illuminating and Electrical Installation Engineers
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• v.25 no.2
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• pp.87-95
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• 2011

A Renewable Portfolio Standard(RPS) is a regulation that requires the increased generation of energy from renewable energy sources such as solar, wind, fuel cell, small hydro, biomass and geothermal. By environmental, technical and these regulatory reasons, the amount of renewable energy sources will be increased in a network. However, it is hard to assess risk of a transmission network with large scale renewable energy sources because the output characteristics of renewable energies are intermittent. This paper evaluates effects of a transmission system with supplemental large scale renewable energies into the existing system. To evaluate these effects, a methodology for risk level of components in a network is proposed considering steady state and contingency N-1 in this paper. We consider line current and bus voltage in each state of a network.

• Journal of the Korea Institute of Military Science and Technology
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• v.4 no.1
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• pp.207-215
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• 2001

Plastic bonded explosive(PBX) is mainly composed of the nitramine-ploymer compositions. PBX is characterized by high velocity and pressure of detonation, low vulnerability and good thermal stability. Many important applications of PBX require the good adhesion between nitramine crystals and the binder. For PBXs as well as propellants, where good mechanical properties are of great importance, dewetting therefore must be prevented by strong adhesion between filler-binder. Adhesion depends on surface characteristics of filler and binder. In order to design for better adhesion, an understanding of the surface properties of explosive and binder is required. The surface free energies are calculated from contact angle values by the method of Kaelble. Critical surface tension of solids are calculated by Zisman plot. Critical surface tension is a useful parameter for characterizing the wettability of solid surface. In this study, HMX and 3 kinds of copolymers are selected, since they are widely used in many plastic bonded explosives. The technical objective of this investigation is to predict the interaction between filler and binder from their surface free energies.