• 한국전기전자재료학회논문지
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• 제17권7호
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• pp.691-696
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• 2004

The electronic state and chemical bonding of $\beta$-MnO$_2$ with transition metal dopants were theoretically investigated by DV-X$_{\alpha}$ (the discrete variational X$_{\alpha}$) method, which is a sort of the first principles molecular orbital method using the Hartree-Fock-Slater approximation. The calculations were performed with a $_Mn_{14}$ MO$_{56}$ )$^{-52}$ (M = transition metals) cluster model. The electron energy level, the density of states (DOS), the overlap population, the charge density distribution, and the net charges, were calculated. The energy level diagram of MnO$_2$ shows the different band structure and electron occupancy between the up spin states and down spin states. The dopant levels decrease between the conduction band and the valence band with the increase of the atomic number of dopants. The covalency of chemical bonding was shown to increase and ionicity decreased in increasing the atomic number of dopants. Calculated results were discussed on the basis of the interaction between transition metal 3d and oxygen 2p orbital. In conclusion it is expected that when the transition metals are added to MnO$_2$ the band gap decreases and the electronic conductivity increases with the increase of the atomic number of dopants. the atomic number of dopants.

• 한국재료학회지
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• 제24권5호
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• pp.236-242
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• 2014

Fabrication of reaction-bonded $Al_2O_3$ (RBAO) ceramics using Al-Zn-Mg alloy powder was studied in order to improve traditional RBAO ceramic processing using Al powder. The influence on reaction-bonding and microstructure, as well as on physical and mechanical properties, of the particulate characteristics of the $Al_2O_3$-Al alloy powder mixtures after milling, was revealed. Variation of the particulate characteristics of this $Al_2O_3$-Al alloy powder mixture with milling time was reported previously. To start, the $Al_2O_3$-Al alloy powder mixture was milled, reaction-bonded, post-sintered, and characterized. During reaction-bonding of the $Al_2O_3$-Al alloy powder mixture compacts, oxidation of the Al alloy took place in two stages, that is, there was solid- and liquid-state oxidation of the Al alloy. The solid-state oxidation exhibited strong dependence on the density of surface defects on the Al-alloy particles formed during milling. Higher milling efficiency resulted in less participation of the Al alloy in reaction-bonding. This was because of its consumption by chemical reactions during milling, and subsequent powder handling, and could be rather harmful in the case of over-milling. In contrast to very little dependence of oxidation of the Al alloy on its particle size after milling, the relative density, microstructure, and flexural strength were strongly dependent on particle size after milling (i.e., on milling efficiency). The relative density and 4-point flexural strength of the RBAO ceramics in this study were ~98% and ~365 MPa, respectively, after post-sintering at $1,600^{\circ}C$.

• 한국감성과학회:학술대회논문집
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• 한국감성과학회 2001년도 춘계학술대회 논문집
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• pp.147-155
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• 2001

Nasucon lamp and Russian ones, which are coated with some special materials on the glass bulb, gave good clinical results for a cancer therapy. They are experimentally studied with Automatic Bioelectric Response Recorder on the six placements of the electrodes (two feet, two hands and two foreheads). They reduced the current rather than the control (natural) state. However infrared lamp and Chinese God light did not reduced the value current. Hemoglobin in blood. Brown gas, Ti$_3$SiC$_2$ and Nasucon have planar crystallizing $\pi$-bonding bonding layer and covalent bonding one in sequence commonly and thus the alternating magnetic fields are protected. Nasucon lamp and Russian ones utilized electric bulbs in order to generate alternating magnetic fields and to produce absorbing force.

• 약학회지
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• 제39권3호
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• pp.329-336
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• 1995

Conformational free energy calculations using an empirical potential function and a hydration shell model(program CONBIO) were carried out on hypoglycemic agent acetohexamide and tolazamide in the unhydrated and hydrated states. The initial geometry of sulfonylureas was obtained from X-ray crystallographieal data and homologous molecular fragments. In both states, the feasible conformations were obtained from the calculations of conformational energy, conformational entropy, and hydration free energy by varying all the torsion angles of the molecules. From the calculation results, it is known that the conformations] entropy is the major contribution to stabflize the low-free-energy conformations of two sulfonylureas in both states. But, in hydrated state, the hydration does not directly affect each conformations. The intramolecular hydrogen bonding of sulfonylurea hydrogen and 7-membered nitrogen appeared to the conformations of tolazamide in both states. It is thought that the hydrogen bonding decrease steric hindrance on the receptor binding direction. The substitution of alicyclic or N-heterocyclic ring than that of carbons chain of urea moiety may be properly interaction between sulfonylureas and the putative pancreatic receptor.

• Bulletin of the Korean Chemical Society
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• 제35권8호
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• pp.2371-2374
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• 2014

A kinetic study is reported on SNAr reaction of 1-fluoro-2,4-dinitrobenzene with a series of primary amines including hydrazine in $H_2O$ at $25.0^{\circ}C$. The plots of $k_{obsd}$ vs. [amine] are linear and pass through the origin, indicating that general-base catalysis by a second amine molecule is absent. The Br${\o}$nsted-type plot exhibits an excellent linear correlation with ${\beta}_{nuc}$ = 0.46 when hydrazine is excluded from the correlation. The reaction has been suggested to proceed through a stepwise mechanism, in which expulsion of the leaving group occurs after the rate-determining step (RDS). Hydrazine is ca. 10 times more reactive than similarly basic glycylglycine (i.e., the ${\alpha}$-effect). A five-membered cyclic intermediate has been suggested for the reaction with hydrazine, in which intramolecular H-bonding interactions would facilitate expulsion of the leaving group. However, the enhanced leaving-group ability is not responsible for the ${\alpha}$-effect shown by hydrazine because expulsion of the leaving group occurs after RDS. Destabilization of the ground-state of hydrazine through the electronic repulsion between the nonbonding electron pairs is responsible for the ${\alpha}$-effect found in the current $S_NAr$ reaction.

• 열처리공학회지
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• 제29권2호
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• pp.56-61
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• 2016

Heating experiments using the Ti-3Al-2.5V tube materials in a vacuum furnace have been performed to investigate a pertinent range of working temperatures and holding times for the development of the successive or simultaneous operation of superplastic hydroforming and diffusion bonding. The specimens were heated at $820^{\circ}C$, $870^{\circ}C$ and $920^{\circ}C$ respectively. Holding times at each temperature were varied up to 4 hours. Holding times longer than 1 hour were selected to consider the diffusion bonding process after or during the hydroforming process in the superplastic state. Grain sizes were varied from $5.7{\mu}m$ of the as-received tube to $9.2{\mu}m$ after heating at $870^{\circ}C/4hours$. Homogeneus granular microstructures could be maintained up to $870^{\circ}C$, while microstructures at $920^{\circ}C$ showed no more granular type.

• 한국염색가공학회지
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• 제11권1호
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• pp.34-41
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• 1999

To examine the increase of paper strength by solvent-bonding using N-methylmorpholine N-oxide (NMMO), a paper was treated with aqueous solutions of NMMO, concentrated at $90^\circ{C}$ for selected periods of time, and pressed for 5 seconds followed by washing and drying. The effect of the increasing NMMO concentration on bonding state and some important properties of samples were mainly investigated. With increasing concentration of NMMO, the degree of bonding between fibers was increased, the fiber cross-sectional shape was changed from 'thin ribbonlike' to 'round rodlike' by swelling with solvent, and the longitudinal waves (crimp) were introduced to fibers, hence the shrinkage, weight per unit area, and thickness of paper were increased. Consequently, the tensile strength and elongation, under standard and wet conditions, and the stiffness were increased, and the water absorption was decreased generally with increasing concentration of NMMO. The moisture regain of treated samples was lower than that of the untreated sample, because of the reduction of space between fibers. But the moisture regain was increased a little with increasing concentration of NMMO due to the fiber swelling with NMMO followed by structural relaxation.

• 센서학회지
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• 제14권3호
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• pp.206-210
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• 2005

The SOI structure with buried alumina was fabricated by ALD followed by bonding and etchback process. The interface of alumina and silicon was analyzed by CV measurements and cross section was investigated by SEM analysis. The density of interface state of alumina and silicon was 2.5E11/$cm^{2}$-eV after high temperature annealing for wafer bonding. It was confirmed that the surface silicon layer was completely isolated from substrate by cross section SEM and AES depth profile. The device on this alumina SOI structure would have better thermal properties than that on conventional SOI due to higher thermal conductivity of alumina than that of silicon dioxide.

• Steel and Composite Structures
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• 제24권6호
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• pp.753-765
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• 2017

This paper aims to investigate the strength degradation of reinforced concrete piers wrapped with steel plates which corrode at the pier base by employing a three dimensional elasto-plastic finite element formulation. The prediction accuracy of the employed finite element analysis method is firstly verified by comparing the analytical results with test results. Then, a series of parametric studies is carried out to investigate the effects of steel plate's corrosion position along width direction, corrosion depth along plate thickness, corrosion range along width direction, and steel plate-concrete bonding degradation on the strength of the piers. It is observed that the strength degradation of the piers is closely related to steel plate's corrosion position, corrosion depth and corrosion range in the case of local corrosion on the webs. In contrast, when the base of flanges corrodes, the strength degradation of the piers is only related to steel plate's corrosion depth and corrosion range, and the influence of corrosion position on the strength degradation is very gentle. Furthermore, the strength of the piers decreases with the degradation of steel plate-concrete bonding behavior. Finally, the maximum strength of the piers obtained from numerical analysis corresponding to different bonding behavior is compared with theoretical results within an accepted error.

• 반도체디스플레이기술학회지
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• 제20권4호
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• pp.125-129
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• 2021

We investigated the electronic property and atomic structure for chalcopyrite (CH) Al_xGa_1-xAs semiconductor by using first-principles FPLMTO method. The CH-Al_xGa_1-xAs exhibits a p-type semiconductor with a direct band-gap. For low Al concentration unoccupied hole-carriers are induced, but for high Al concentration it is formed a localized bonding or anti-bonding state below Fermi level. The hybridization of Al(3s)-Ga(4s, or 4p) is larger than that of Al(3s)-As(4s, or 4p). And the Al film on As-terminated surface, Al/AsGa(001), is more energetically favorable one than that on Ga-terminated (001) surface. Consequently, the band-gap of CH-Al_xGa_1-xAs system increases exponentially with increasing Al concentration. The change of lattice parameter is shown two different configurations with increasing Al concentration. The calculated lattice parameters for CH-Al_xGa_1-xAs system are compared to the experimental ones of zinc-blend GaAs and AlAs.