• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2008.11a
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• pp.293-294
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• 2008

CaO stabilized cubic-$HfO_2$ is studied by using Density Functional Theory with GGA. When a Ca atom is substituted for a Hf atom, an oxygen vacancy is produced to satisfy the charge neutrality condition. When the oxygen vacancy is located at the first nearest site from the Ca atom, the total energy of $HfO_2$ is the most favorable. We calculate the energy barriers for the oxygen vacancy migration. The energy barriers between the first and the second nearest sites, the second and the third nearest sites, and the third and fourth nearest sites are 0.2, 0.5, 0.24 eV, respectively. The oxygen vacancies at the third and fourth nearest sites from the Ca atom represent the oxygen vacancies in undoped $HfO_2$. Therefore, the energy barrier for oxygen migration in $HfO_2$ gate dielectricis is 0.24eV, which can explain a leakage origin of gate dielectric.

• Explosives and Blasting
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• v.23 no.1
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• pp.65-77
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• 2005

Reflecting the fact that there are increasing number of old high-story apartment structures in urban area, it is expected that the demand of blasting demolition will increase in the near future. It is of great important to make up for the insufficient empirical knowledge in blasting demolition through priori method such as computer simulation. Computer simulation of the blasting demolition involves complicated process. In the past domestic researches, two-dimensional bonded particle model was used to examine the overall demolition behavior of a five-story simple structure. It was observed that the two-dimensional simulation did not properly simulate the collapsing behavior of a structure mainly due to the reduced degree of freedom. In this study, three-dimensional simulation was tried. It consumed a great amount of calculation time, which limited the extent of the study. A few parameters, such as delay times, amount of charge at each hole, ball properties, were modified in order to check oui; their effect on the collapsing behavior. The differences were observed as expected but the collapsing behavior did not exactly coincide with the test blasting with a scaled model.

• Convergence Security Journal
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• v.7 no.3
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• pp.109-120
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• 2007

VoIP service provides various functions that PSTN phone service hasn't been able to provide. Since it also has superiority in service charge, the number of user is increasing these days. When we think of the other side in cost aspect, the spam caller can also send his/her commercial message over phone line using more economic way. This paper presents the characteristics that should be considered to detect the spam call using greylisting method. We have explored static and dynamic characteristics in VoIP calls, and analyzed the relation among them. Especially, we have surveyed the authentication and charging method of Korean VoIP service provider. We have analyzed each charging method using our spam call simulation result, and derived the charging method that can be favored by spam caller. The contribution of the work is in analysis result of static aspect for SPIT Level calculation in greylisting method.

• Applied Biological Chemistry
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• v.37 no.2
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• pp.124-129
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• 1994

The rate of hydrolysis of insecticidal $O,O-diethyl-{\alpha}-cyanobenzylideneamino-oxyphosphorothioate\;(Volaton^{\circledR})$ has been studied in 25% (v/v) aqueous dioxane. On the basis of solvent effect (pH 6.0; m=0.21, n=1.55, pH 12.0; m=0.42, n=3.14 & $|m|{\ll}|l|$), general base catalysis, hydrolysis product analysis, calculation of molecular orbital (MO) and rate equation, it may be concluded that the hydrolysis of Volaton proceeds through the $A_{AC}2$ mechanism via trigonal bipyramidal $(sp^3d^2)$ intermediate below pH 7.0, while above pH 9.0 the hydrolysis proceeds through the $B_{AC}2$ mechanism. Hydrolysis reactivity of Volaton depends on positive charge strength $(p{\gg}{\alpha}C_2)$ rather than steric hindrance. In the range between pH 7.0 and pH 9.0, these two reactions occur competitively.

• Explosives and Blasting
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• v.33 no.2
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• pp.15-24
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• 2015

In general, blast vibrations could make underground cavern unstable by causing relative movements between the surrounding rock blocks that are divided by discontinuities such as joints and faults around the cavern. In the study, a blast guideline was established to obtain the stability of a large-scale cavern for underground crusher room in an open pit limestone mine in Korea. The guideline was suggested in the form of a standard calculation method of the maximum charge per delay for a safe blast. The allowable level of peak particle velocity for the cavern was determined based on the result of a numerical analysis using FLAC2D. The ground vibration data required for the study was obtained from field measurements.

• International Journal of Automotive Technology
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• v.2 no.1
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• pp.1-7
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• 2001

This paper presents further investigation into the effect of over-expansion cycle in a spark-ignition engine. On the basis of the results obtained in previous studies, several combinations of late-closing (LC) of intake valve and expansion ratio were tested using a single-cylinder production engine. A large volume of intake capacity was inserted into the intake manifold to simulate multi-cylinder engines. With the large capacity volume, LC can decrease the pumping loss and then increase the mechanical efficiency. Increasing the expansion ratio from 11 to 23.9 with LC application can produce about 13% improvement of thermal efficiency which was suggested to be caused by the increased cycle efficiency. The decrease of compression ratio from 11 to 5.5 gives little effect on the thermal efficiency if the expansion ratio could be kept constant. Thus, the expansion ratio is revealed to be a determining factor for cycle efficiency, while compression ratio is no more important, which suggests the usefulness of controlling the intake charge with intake valve closure timing. These were successfully explained by simple thermodynamic calculation and thus the mechanism could be verified by the estimation.

• Proceedings of the Materials Research Society of Korea Conference
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• 2012.05a
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• pp.73-73
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• 2012

Modern technology-driven society largely relies on hybrid electric vehicles or electric vehicles for eco-friendly transportation and the use of high technology devices. Lithium rechargeable batteries are the most promising power sources because of its high energy density but still have a challenge. Graphite is the most widely used anode material in the field of lithium rechargeable batteries due to its many advantages such as good cyclic performances, and high charge/discharge efficiency in the initial cycle. However, it has an important safety issue associated with the dendritic lithium growth on the anode surface at high charging current because the conventional graphite approaches almost 0 V vs $Li/Li^+$ at the end of lithium insertion. Therefore, a fundamental solution is to use an electrochemical redox couple with higher equilibrium potentials, which suppresses lithium metal formation on the anode surface. Among the candidates, $Li_4Ti_5O_{12}$ is a very interesting intercalation compound with safe operation, high rate capability, no volume change, and excellent cycleability. But the insulating character of $Li_4Ti_5O_{12}$ has raised concerns about its electrochemical performance. The initial insulating character associated with Ti4+ in $Li_4Ti_5O_{12}$ limits the electronic transfer between particles and to the external circuit, thereby worsening its high rate performance. In order to overcome these weak points, several alternative synthetic methods are highly required. Hence, in this presentation, novel ways using a synergetic strategy based on 1D architecture and surface coating will be introduced to enhance the kinetic property of Ti-based electrode. In addition, first-principle calculation will prove its significance to design Ti-based electrode for the most optimized electrochemical performance.

• Journal of the Korean Chemical Society
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• v.34 no.3
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• pp.267-279
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• 1990

The adsorption mechanisms of phenols on XAD-2 and XAD-7 resins were studied by using the distribution coefficient(log Kd) measured in the optimum adsorption conditions. It was observed that the Langmuir adsorption isotherm, indicating a molecular size-dependent adsorption, was appropriate for characterizing the adsorption behaviors of phenols on XAD-2 and XAD-7 resins. The adsorption energies of phenols on XAD resins were calculated by Lennard-Jones potential equation. In the calculation of the adsorption energy, the molecular radii and dipole moments of the resins and phenols were calculated by their van der Waals volumes and Debye equation, respectively. The stacking factor (F) were determined from the radio of the equilibrium distance to the stacking distance of molecules. In order to explain the adsorption energy calculated from the stacking factor it was compared with the adsorption enthalpy for each of phenols which was experimentally determined by batch adsorption shake method. It was observed that the adsorption enthalpy of phenolate ions on the XAD resins was likely to be more seriously affected by dispersion interaction than by a dipole or a charge interaction.

• Bulletin of the Korean Chemical Society
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• v.31 no.4
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• pp.881-886
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• 2010

A novel Schiff base N-(2,4-dinitro-phenyl)-N'-(1-phenyl-ethylidene)-hydrazine has been synthesized and structurally characterized by X-ray single crystal diffraction, elemental analysis, IR spectra and UV-vis spectrum. The crystal belongs to monoclinic with space group P21/n. The molecules are connected via intermolecular O-$H{\cdots}O$ hydrogen bonds into 1D infinite chains. The crystal structure is consolidated by the intramolecular N-$H{\cdots}O$ hydrogen bonds. weak intermolecular C-$H{\cdots}O$ hydrogen bonds link the molecules into intriguing 3D framework. Furthermore, Density functional theory (DFT) calculations of the structure, stabilities, orbital energies, composition characteristics of some frontier molecular orbitals and Mulliken charge distributions of the title compound were performed by means of Gaussian 03W package and taking B3LYP/6-31G(d) basis set. The time-dependent DFT calculations have been employed to calculate the electronic spectrum of the title compound, and the UV-vis spectra has been discussed on this basis. The results show that DFT method at B3LYP/6-31G(d) level can well reproduce the structure of the title compound.

• The Korean Journal of Ceramics
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• v.6 no.4
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• pp.339-342
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• 2000

In the present study, we attempted to apply DV-X$\alpha$ method to expressing the reactivity of materials. The expression of reactivity was discussed by comparison between ${\gamma}$-C$_2$G having hydraulic activity and ${\gamma}$-C$_2$S not having hydraulic activity at normal conditions. It was found that the model cluster used for calculation can finely reproduce the bulk and surface states using with and without point charge, respectively. The hydration state was also represented by placing OH￣ on the surface of the cluster. It was calculated that the bond strength of the first layer (as surface) was bigger than that of inner layers (as bulk) for ${\gamma}$-C$_2$S while that of the first layer for ${\gamma}$-C$_2$G was smaller than that of inner layers. Subsequently a model in which OH￣ is coordinated on Ca at the surface was also calculated. The bond strength with OH￣ was stronger than that without OH￣, while for ${\gamma}$-C$_2$G the bond strength with OH￣ was weaker than that without OH￣. From these results, it is concluded that the hydraulic activity depends on whether the bond strength for hydrated state becomes weaker than that unhydrated state or not.