• Journal of the Korean Magnetics Society
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• v.1 no.1
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• pp.6-11
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• 1991

In order to investigate electronic and magnetic properties of permanent magnets, we have performed self-consistent electronic structure calculations on compounds of rare-earth and transition metals, such as $SmCo_{5},\;NdB_{6},\;NdFe_{5},\;NdFe_{4}B$. Employing the local density LMTO(linearized muffin tin orbital) band method, we have obtained the ground state parameters, such as band structures, density of states, Stoner parameters, and magnetic moments. We have also investigated interactions between d,f-electrons of Nd, Sm rare-earths and d-electrons of Fe, Co transition metals, and the s,p electrons of boron and explored effects of such interactions on the bonding mechanism and the electronic and magnetic structures in these rare-earth compounds.

• Bulletin of the Korean Chemical Society
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• v.29 no.10
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• pp.1920-1926
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• 2008

We investigated the C-H bond activation mechanism of aldimine by the [RhCl$(PPH_3)_3$] model catalyst using DFT B3LYP//SBKJC/6-31G*/6-31G on GAMESS. Due to their potential utility in organic synthesis, C-H bond activation is one of the most active research fields in organic and organometallic chemistry. C-H bond activation by a transition metal catalyst can be classified into two types of mechanisms: direct C-H bond cleavage by the metal catalyst or a multi-step mechanism via a tetrahedral transition state. There are three structural isomers of [RhCl$(PH_3)_2$] coordinated aldimine that differ in the position of chloride with respect to the molecular plane. By comparing activation energies of the overall reaction pathways that the three isomeric structures follow in each mechanism, we found that the C-H bond activation of aldimine by the [RhCl$(PH_3)_3$] catalyst occurs through the tetrahedral intermediate.

• Bulletin of the Korean Chemical Society
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• v.32 no.3
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• pp.885-888
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• 2011

We report the first vibrational band assignment of imidazole trimer (IMT) solvated in helium nanodroplets. Several congested vibrational bands of imidazole (IM) clusters were obtained in the frequency region of $3513-3515\;cm^{-1}$ and vibrationally resolved due to the extremely low temperature (0.37 K) and very weak solutesolvent interaction environments of helium droplets. The unambiguous free NH band assignment was achieved with an aid of pick-up oven temperature dependence and vibrational transition moment angle (VTMA) experiments as well as density functional theory (DFT) calculations. The band at $3514.3\;cm^{-1}$ is attributed to the free NH stretching mode of linear IMT clusters, easily formed by the dipole-dipole interactions of IM in ultracold helium nanodroplets.

• Bulletin of the Korean Chemical Society
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• v.30 no.2
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• pp.334-338
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• 2009

Trifunctional epoxy resin triglycidyl paraaminophenol (TGPAP)/$CaCO_3$ nanocomposites were prepared using the melt blending method. The effects of nano-$CaCO_3$ content on the thermal behaviors, such as cure behavior, glass transition temperature ($T_g$), thermal stability, and the coefficient of thermal extension (CTE), were investigated by several techniques. Differential scanning calorimetry (DSC) results indicated that the cure reaction of the TGPAP epoxy resin was accelerated with the addition of nano-$CaCO_3$. When the nano-$CaCO_3$ content was increased, the $T_g$ of the TGPAP/$CaCO_3$ nanocomposites did not obviously change, whereas the crosslinking density was linearly increased. The nanocomposites showed a higher thermal stability than that of the neat epoxy resin. This result could be attributed to the increased surface contact area between the nano-$CaCO_3$ particles and the epoxy matrix, as well as the high crosslinking density in the TGPAP/$CaCO_3$ nanocomposites. The CTE of the nanocomposites in the rubbery region was significantly decreased as the nano-$CaCO_3$ content was increased.

• Proceedings of the Korea Association of Crystal Growth Conference
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• 1998.09a
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• pp.97-102
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• 1998

Transition metal Cr3+ and Fe3+ ion was diffused in white sapphire {0001}, {1010} crystal plane which were grown by the Verneuil method. It enhanced and changed the physical, electrical and optical properties of sapphires. After mixing the metallic oxide and metal powder, it were used for diffusion. Metallic oxide was synthesized by precipitation method and it's composition was mainly alumina which doped with chromium or ferric oxide. In case using metallic oxide, the dopping was slowly progressed and it needed the longer duration time and higher temperature, relatively. Metallic powder was vapoured under 1x10-4 torr of vacuum pressure at 1900(iron metal) and 2050(chromium)℃, first step. Diffusion condition were kept by 6atm of N2 accelerating pressure at 2050∼2150℃. Each surface density of sapphire crystal are 0.225(c) and 0.1199atom/Å2(a). The color of the Cr-doped sapphires was changed to red. Dopping reaction was come out more deep in th plane of {1010} than {0001}. It was speculated that the planar density was one of the factors to determine diffusion effect.

• Journal of the Korean Chemical Society
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• v.23 no.1
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• pp.20-29
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• 1979

The origin of barriers to internal rotation of hydrogen peroxide and ethane is investigated by using the concept of Bonding and Antibonding Regions. The strong bond formations between the axial and end atoms on the same side make the real charge densities in these molecules less dependent on conformations than those in the hypothetical molecules having no axial atoms. Thus, the existence of the axial atoms should induce the migration of the transition density from the Bonding region to the Antibonding region. Barrier to internal rotation can be understood in terms of this migration of the transition density to such an extent that the change in nuclear-nuclear repulsion energy becomes the dominating part of the total perturbation energy.

• Nuclear Engineering and Technology
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• v.53 no.6
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• pp.2056-2065
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• 2021

The transition toward clean energy is an issue of great importance with growing debate in climate change mitigation. The complex nature of nuclear energy-CO₂ emissions nexus makes it difficult to predict whether or not nuclear acts as a clean energy source. Hence, we examined the relationship between nuclear energy consumption and CO₂ emissions in the context of the IPAT and Environmental Kuznets Curve (EKC) framework. Dynamic Auto-regressive Distributive Lag (DARDL), a newly modified econometric tool, is employed for estimation of long- and short-run dynamics by using yearly data spanning from 1971 to 2018. The empirical findings of the study revealed an instantaneous increase in nuclear energy reduces environmental pollution, which highlights that more nuclear energy power in the Indian energy system would be beneficial for climate change mitigation. The results further demonstrate that the overarching effect of population density in the IPAT equation stimulates carbon emissions. Finally, nuclear energy and population density contribute to form the EKC curve. To achieving a cleaner environment, results point out governmental policies toward the transition of nuclear energy that favours environmental sustainability.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.32 no.3
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• pp.199-203
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• 2019

The penetration depth of a hypervelocity jet exceeding 4 km/s is described by the density ratio of the jet and the target. In the case of the same density, the difference in strength between the targets does not affect the penetration depth difference. This study focuses on the "strength irrelevance" of such a hypervelocity jet. For this purpose, the change of crater pressure caused by shaped charge jet(SCJ) was calculated by finite element analysis and the possibility of polymorphic phase transition of steel material was investigated. Hypervelocity jets were found to cause polymorphic phase transitions in the steel target craters, and the decrease in the fracture toughness of the target is predicted as the cause of the strength irrelevance.

• International Journal of High-Rise Buildings
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• v.12 no.1
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• pp.35-47
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• 2023

The transport system and its infrastructure are not only the fundamental means of sustaining the operation of contemporary cities, but also important drivers for the evolution of urban form. Rail transit, critical to improving the operational efficiency and optimizing the spatial layout in cities, is one of the critical conditions for high-density areas with limited land and concentrated resources to be compact to take on complex challenges. As a node element of infrastructure, rail transit entrances are the most important points connecting the rail transit system with urban space. Although influenced by urban form, their quantity and location also influence and shape the evolution of urban space form. Based on the development gap of high-density areas in various contexts, focusing on various rail transit stations in Asia, this research analyzes the correlation between rail transit entrances and peripheral high-density urban form in a delicate, dynamic and granular way. The research considers both horizontal and vertical perspectives, in combination with the urban evolution process in time series, to explore the development trend of high-density urban form in Asia from the aspect of correlation, and building a new foundation for research on urban form, suitable for different types of cities.

• Korean Journal of Materials Research
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• v.19 no.5
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• pp.281-287
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• 2009

ZnO thin film was grown on a sapphire single crystal substrate by plasma assisted molecular beam epitaxy. In addition to near band edge (NBE) emissions, both blue and green luminescences are also observed together. The PL intensity of the blue luminescence (BL) range from 2.7 to 2.9 eV increased as the amount of activated oxygen increased, but green luminescence (GL) was weakly observed at about 2.4 eV without much change in intensity. This result is quite unlike previous studies in which BL and GL were regarded as the transition between shallow donor levels such as oxygen vacancy and interstitial zinc. Based on the transition level and formation energy of the ZnO intrinsic defects predicted through the first principle calculation, which employs density functional approximation (DFA) revised by local density approximation (LDA) and the LDA+U approach, the green and blue luminescence are nearly coincident with the transition from the conduction band to zinc vacancies of $V^{2-}_{Zn}$ and $V^-_{Zn}$, respectively.